A0A077ZF98_TRITR Loading...

Gamma-aminobutyric acid type B receptor subunit 2

AlphaFold DB , UniProt , Accession A0A077ZF98, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 785 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	31.3	Very low	29.4	Very low	243 Å²	243	165 Å²	165	100%	1.197	88%	0.876	S	S	*	*				0	136.8	0	-79.1	179.7	177.2	0	0	108
2	P	34.8	Very low	29.5	Very low	128 Å²	128	166.3 Å²	166.3	83%	0.831	88%	0.882	S	S	*	*				-130.2	138.9	-101.4	35.5	-21.5	0	0	0	114.8
3	A	31.6	Very low	29.3	Very low	101 Å²	101	160.6 Å²	160.6	84%	0.835	86%	0.863	S	S	*	*			trans	-169.4	113.7	156.4	0	0	0	0	0	105.3
4	G	27.6	Very low	29.3	Very low	77 Å²	77	159.9 Å²	159.9	79%	0.794	86%	0.859	S	S	*	*				105.7	62.2	56.9	0	0	0	0	0	108.5
5	F	27.8	Very low	29.6	Very low	211 Å²	211	165.5 Å²	165.5	93%	0.925	87%	0.865	S	S	*	*			trans	-105.8	89.7	169.1	-102.2	-90	0	0	0	109.2	L7	F5-L7 PolarHBondContact O-N 3.19Å
6	K	28.3	Very low	29.8	Very low	197 Å²	197	159.1 Å²	159.1	86%	0.857	85%	0.853	S	S	*	*			trans	-54.1	130.3	159.9	-85.8	174.6	171.8	175.4	0	108	Q8	K6-Q8 PolarHBondContact O-N 2.85Å
7	L	28.3	Very low	29.9	Very low	157 Å²	157	160.9 Å²	160.9	82%	0.822	86%	0.855	S	S	*	*			trans	-44.8	126.7	162.2	-86.5	89.7	0	0	0	109.6	F5 R9	F5-L7 PolarHBondContact O-N 3.19Å; L7-R9 PolarHBondContact O-N 2.83Å
8	Q	29.2	Very low	30	Very low	195 Å²	195	163 Å²	163	91%	0.911	86%	0.859	S	S	*	*			trans	-65.2	79.1	158.7	-84.2	177.5	-47	0	0	108.9	K6 N10	K6-Q8 PolarHBondContact O-N 2.85Å; Q8-N10 PolarHBondContact O-N 3.46Å
9	R	27.3	Very low	30	Very low	220 Å²	220	158 Å²	158	83%	0.83	85%	0.85	S	S	*	*			trans	-75.5	98.3	141.9	-84.3	-176.3	-172.3	168.8	2.3	105.1	L7	L7-R9 PolarHBondContact O-N 2.83Å
10	N	26.8	Very low	30.1	Very low	147 Å²	147	161.7 Å²	161.7	79%	0.786	85%	0.852	S	S	*	*			trans	-177.6	62	162.8	-92.5	-11	0	0	0	110.8	Q8	Q8-N10 PolarHBondContact O-N 3.46Å
11	V	30.7	Very low	30.1	Very low	139 Å²	139	161.6 Å²	161.6	84%	0.842	85%	0.851	S	S	*	*	S	Bend	trans	-147.4	29.6	160.5	-159.1	0	0	0	0	111.6
12	L	29.8	Very low	30	Very low	181 Å²	181	158 Å²	158	95%	0.948	83%	0.831	S	S	*	*	S	Bend	trans	-135.2	33.8	179.9	-74.4	174.6	0	0	0	113.6
13	S	27.7	Very low	29.9	Very low	92 Å²	92	161.4 Å²	161.4	64%	0.643	83%	0.827	S	S	*	*	S	Bend	trans	-139.8	93	166.9	66.1	0	0	0	0	108.5
14	N	29.6	Very low	29.9	Very low	150 Å²	150	165.4 Å²	165.4	80%	0.802	83%	0.828	S	S	*	*			trans	154.1	58.1	160	-80.8	-13.7	0	0	0	110.4
15	Y	33.2	Very low	30.1	Very low	244 Å²	244	172.8 Å²	172.8	96%	0.957	83%	0.832	S	S	*	*			trans	-145.8	118.8	156.2	-90.8	-74.2	0	0	0	109
16	G	32.1	Very low	30.4	Very low	64 Å²	64	173.8 Å²	173.8	66%	0.66	83%	0.83	S	S	*	*			trans	-65.5	157.8	-163.4	0	0	0	0	0	115.8	E18	G16-E18 PolarHBondContact O-N 3.05Å
17	E	31.7	Very low	30.6	Very low	190 Å²	190	169 Å²	169	89%	0.888	82%	0.819	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	17	-172.3	-68	-175.4	133.7	0	0	115.9
18	E	32.5	Very low	31.2	Very low	198 Å²	198	169 Å²	169	93%	0.925	81%	0.809	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.3	19.1	-170.7	-69.2	-169.5	154.9	0	0	115.7	G16	G16-E18 PolarHBondContact O-N 3.05Å
19	G	30.2	Very low	31.7	Very low	68 Å²	68	165.7 Å²	165.7	70%	0.701	79%	0.793	S	S	*	*			trans	-109.6	-2.5	179	0	0	0	0	0	117.1	L21	G19-L21 PolarHBondContact O-N 3.35Å
20	W	30.8	Very low	32.8	Very low	232 Å²	232	165.4 Å²	165.4	88%	0.879	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	12.1	-161.4	-78.9	100.5	0	0	0	117.1
21	L	30.3	Very low	34.3	Very low	159 Å²	159	166 Å²	166	83%	0.832	80%	0.796	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.7	5.8	-166.2	-85.1	160.6	0	0	0	118	G19	G19-L21 PolarHBondContact O-N 3.35Å
22	H	28.7	Very low	36.1	Very low	169 Å²	169	167.2 Å²	167.2	78%	0.782	79%	0.79	S	S	*	*			trans	-131.3	58.6	178.4	-84.5	-61.9	0	0	0	114.9
23	W	32.8	Very low	38.6	Very low	199 Å²	199	162.8 Å²	162.8	75%	0.754	76%	0.763	S	S	*	*	S	Bend	trans	-136.8	115.4	140.8	-79.3	91.6	0	0	0	108.4	R25 R363	W23-R25 PolarHBondContact O-N 3.02Å; W23-R363 VanDerWaalsContact NE1-NH2 3.14Å
24	H	32.7	Very low	41.2	Very low	185 Å²	185	162.1 Å²	162.1	86%	0.856	76%	0.755	S	S	*	*			trans	-47.9	113	171.8	-86.8	-82.4	0	0	0	109.8	R26	H24-R26 VanDerWaalsContact C-N 3.33Å; H24-R26 PolarHBondContact O-N 3.28Å
25	R	31	Very low	43.9	Very low	231 Å²	231	157.6 Å²	157.6	87%	0.872	73%	0.733	S	S	*	*			trans	-42.3	101.5	150	-70.4	176.8	-167.5	-179	3.3	107.4	W23	W23-R25 PolarHBondContact O-N 3.02Å
26	R	34.9	Very low	46.4	Very low	232 Å²	232	147.2 Å²	147.2	88%	0.875	70%	0.695	S	S	*	*			trans	-61.3	123.7	133.9	-72.7	-168.3	-176.4	-171.4	3	103.7	H24 Y28	H24-R26 VanDerWaalsContact C-N 3.33Å; H24-R26 PolarHBondContact O-N 3.28Å; R26-Y28 PolarHBondContact O-N 2.63Å; R26-Y28 VanDerWaalsContact O-N 3.11Å
27	P	32.8	Very low	49.2	Very low	96 Å²	96	146.9 Å²	146.9	62%	0.623	67%	0.674	S	S	*	*			trans	-53.2	129.2	174.6	24.2	-31.2	0	0	0	105.9	Q29	P27-Q29 PolarHBondContact O-N 3.24Å
28	Y	39.9	Very low	52.1	Low	158 Å²	158	137.9 Å²	137.9	62%	0.62	63%	0.632	S	S	*	*			trans	-54.4	92.9	162	173.9	-102.5	0	0	0	105.9	R26 R30	R26-Y28 PolarHBondContact O-N 2.63Å; R26-Y28 VanDerWaalsContact O-N 3.11Å; Y28-R30 HydrophobicContact CE1-CB 4.23Å; Y28-R30 HydrophobicContact CE1-CG 3.87Å; Y28-R30 PolarHBondContact O-N 2.94Å
29	Q	40.6	Very low	55	Low	125 Å²	125	128.4 Å²	128.4	58%	0.584	59%	0.587	S	S	*	*			trans	-74.1	109.5	168.3	-84.8	-175.3	-30.5	0	0	103.8	P27 D31 K32	P27-Q29 PolarHBondContact O-N 3.24Å; Q29-D31 PolarHBondContact O-N 2.86Å; Q29-K32 HydrophobicContact CB-CB 4.37Å; Q29-K32 PolarHBondContact O-N 3Å
30	R	49.1	Very low	58	Low	214 Å²	214	125.2 Å²	125.2	81%	0.808	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51	-16.5	-177.8	-147.2	170.9	-157.7	-178.4	4.5	113.1	Y28	Y28-R30 HydrophobicContact CE1-CB 4.23Å; Y28-R30 HydrophobicContact CE1-CG 3.87Å; Y28-R30 PolarHBondContact O-N 2.94Å
31	D	59	Low	61	Low	161 Å²	161	114.2 Å²	114.2	86%	0.861	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	1	-174.8	-55.9	-38.4	0	0	0	115.7	Q29	Q29-D31 PolarHBondContact O-N 2.86Å
32	K	69.6	Low	64	Low	164 Å²	164	106.8 Å²	106.8	71%	0.713	47%	0.474	S	S	*	.			trans	-127.6	93.2	-178.3	-157.1	172.8	-174.5	176	0	113.4	Q29	Q29-K32 HydrophobicContact CB-CB 4.37Å; Q29-K32 PolarHBondContact O-N 3Å
33	K	80.5	Confident	66.9	Low	88 Å²	88	98.8 Å²	98.8	38%	0.383	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-73.2	144.4	173.1	-66.2	178.2	173.1	-177.8	0	111.5	D70 G78 N80	K33-D70 WeakPolarHBondContact CD-OD1 3.11Å; K33-D70 PolarHBondContact NZ-O 3.33Å; K33-D70 IonicContact NZ-OD1 3.02Å; K33-D70 PolarHBondContact NZ-OD1 2.92Å; K33-D70 IonicContact NZ-OD2 2.89Å; K33-D70 PolarHBondContact NZ-OD2 2.84Å; K33-G78 CarbonylContact C-O 3.54Å; K33-G78 WeakPolarHBondContact CA-O 3.09Å; K33-N80 HydrophobicContact CB-CB 3.98Å; K33-N80 HydrophobicContact CD-CB 4.19Å
34	T	82.8	Confident	69.6	Low	78 Å²	78	92.6 Å²	92.6	48%	0.479	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	123.3	175.5	-55.8	0	0	0	0	110	G78 Y79 N80	T34-G78 PolarHBondContact N-O 3.25Å; T34-Y79 HydrophobicContact CG2-CD1 4.22Å; T34-Y79 HydrophobicContact CG2-CE1 4.24Å; T34-Y79 CarbonylContact O-C 3.58Å; T34-Y79 WeakPolarHBondContact O-CA 3.31Å; T34-N80 PolarHBondContact O-N 3.42Å
35	P	86	Confident	72	Confident	54 Å²	54	87 Å²	87	35%	0.351	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	130.7	-178.2	29.3	-33.7	0	0	0	111.7	Y37 N80	P35-Y37 HydrophobicContact CB-CE1 4.17Å; P35-Y37 HydrophobicContact CB-CE2 3.85Å; P35-Y37 HydrophobicContact CG-CE2 3.76Å; P35-Y37 WeakPolarHBondContact CG-OH 3.46Å; P35-N80 CarbonylContact C-O 3.54Å; P35-N80 WeakPolarHBondContact CA-O 3.44Å
36	L	87	Confident	74.1	Confident	27 Å²	27	79.4 Å²	79.4	14%	0.141	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	117.6	168.3	-64.4	176	0	0	0	108.2	L76 Y79 N80 L81 T82	L36-L76 HydrophobicContact CD1-CD1 4.43Å; L36-L76 HydrophobicContact CD1-CD2 4.03Å; L36-Y79 HydrophobicContact CD1-CD1 4.03Å; L36-Y79 HydrophobicContact CD1-CG 4.06Å; L36-Y79 HydrophobicContact CD2-CD1 3.9Å; L36-Y79 HydrophobicContact CD2-CE1 4.36Å; L36-Y79 HydrophobicContact CG-CD1 3.87Å; L36-Y79 HydrophobicContact CG-CG 4.32Å; L36-N80 PolarHBondContact N-O 3.05Å; L36-L81 HydrophobicContact CB-CD1 4.15Å; L36-T82 PolarHBondContact O-N 3.31Å
37	Y	90.9	Very high	75.9	Confident	57 Å²	57	72.1 Å²	72.1	22%	0.224	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	121.8	-172.3	-62.2	-81.4	0	0	0	112.1	P35 T82 I84 K107 I109 V110	P35-Y37 HydrophobicContact CB-CE1 4.17Å; P35-Y37 HydrophobicContact CB-CE2 3.85Å; P35-Y37 HydrophobicContact CG-CE2 3.76Å; P35-Y37 WeakPolarHBondContact CG-OH 3.46Å; Y37-T82 CarbonylContact C-O 3.59Å; Y37-T82 WeakPolarHBondContact CA-O 3.49Å; Y37-T82 HydrophobicContact CD1-CG2 4.06Å; Y37-T82 HydrophobicContact CE1-CG2 4.04Å; Y37-I84 HydrophobicContact CD1-CD1 4.09Å; Y37-I84 HydrophobicContact CD1-CG1 4.16Å; Y37-I84 HydrophobicContact CG-CD1 4.39Å; Y37-K107 HydrophobicContact CD1-CB 4.27Å; Y37-K107 HydrophobicContact CD1-CD 3.77Å; Y37-K107 HydrophobicContact CD1-CG 4.31Å; Y37-K107 HydrophobicContact CD2-CB 3.63Å; Y37-K107 HydrophobicContact CD2-CD 4.46Å; Y37-K107 HydrophobicContact CD2-CG 4.12Å; Y37-K107 HydrophobicContact CE1-CB 4.48Å; Y37-K107 HydrophobicContact CE1-CD 3.58Å; Y37-K107 HydrophobicContact CE1-CG 4.07Å; Y37-K107 HydrophobicContact CE2-CB 3.85Å; Y37-K107 HydrophobicContact CE2-CD 4.28Å; Y37-K107 HydrophobicContact CE2-CG 3.84Å; Y37-K107 HydrophobicContact CG-CB 3.83Å; Y37-K107 HydrophobicContact CG-CD 4.19Å; Y37-K107 HydrophobicContact CG-CG 4.32Å; Y37-I109 CarbonylContact O-C 3.43Å; Y37-I109 WeakPolarHBondContact O-CA 3.24Å; Y37-V110 WeakPolarHBondContact O-CG2 3.36Å; Y37-V110 PolarHBondContact O-N 3.15Å
38	V	91.9	Very high	77.4	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	127.3	173.8	173.9	0	0	0	0	108.6	A40 L81 T82 L83 I84 V110 A111 F113 I350	V38-A40 PolarHBondContact O-N 3.12Å; V38-L81 HydrophobicContact CG2-CD1 3.6Å; V38-L81 HydrophobicContact CG2-CG 4.32Å; V38-T82 PolarHBondContact N-O 3.14Å; V38-L83 HydrophobicContact CB-CD2 3.77Å; V38-L83 HydrophobicContact CG1-CD2 3.98Å; V38-L83 CarbonylContact O-C 3.54Å; V38-L83 WeakPolarHBondContact O-CA 3.43Å; V38-I84 PolarHBondContact O-N 3.11Å; V38-V110 HydrophobicContact CG2-CG2 3.82Å; V38-A111 WeakPolarHBondContact CA-O 3.47Å; V38-A111 WeakPolarHBondContact CG1-O 3.39Å; V38-F113 HydrophobicContact CG1-CB 3.64Å; V38-I350 HydrophobicContact CG1-CD1 4.25Å; V38-I350 HydrophobicContact CG2-CG2 4.05Å
39	G	93.3	Very high	78.8	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	117.2	175	0	0	0	0	0	110	A111 L112 F113	G39-A111 PolarHBondContact N-O 3.33Å; G39-L112 CarbonylContact O-C 3.55Å; G39-L112 WeakPolarHBondContact O-CA 3.16Å; G39-F113 PolarHBondContact O-N 3.34Å
40	A	94	Very high	80.4	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	126	-179.2	0	0	0	0	0	110.5	V38 F42 L83 I84 D85 K86 F113	V38-A40 PolarHBondContact O-N 3.12Å; A40-F42 HydrophobicContact CB-CD2 4.03Å; A40-F42 HydrophobicContact CB-CE2 3.74Å; A40-L83 HydrophobicContact CB-CB 4.11Å; A40-L83 HydrophobicContact CB-CD1 4.34Å; A40-L83 HydrophobicContact CB-CD2 4.47Å; A40-I84 PolarHBondContact N-O 2.98Å; A40-D85 WeakPolarHBondContact O-CA 3.39Å; A40-K86 PolarHBondContact O-N 3.17Å; A40-F113 CarbonylContact C-O 3.59Å; A40-F113 VanDerWaalsContact CA-O 3.27Å; A40-F113 WeakPolarHBondContact CA-O 3.31Å
41	M	93.2	Very high	81.4	Confident	1 Å²	1	51 Å²	51	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	92.5	179.2	-63.5	-173.7	72.1	0	0	109.4	T88 G95 F99 I102 F113 G115 T120 V124	M41-T88 HydrophobicContact CB-CG2 3.91Å; M41-T88 HydrophobicContact CE-CG2 3.59Å; M41-G95 VanDerWaalsContact CE-O 3.27Å; M41-G95 WeakPolarHBondContact CE-O 3.41Å; M41-F99 HydrophobicContact CE-CB 4.36Å; M41-I102 HydrophobicContact CG-CD1 3.87Å; M41-F113 PolarHBondContact N-O 3.24Å; M41-G115 PolarHBondContact O-N 2.93Å; M41-T120 HydrophobicContact CE-CG2 4.06Å; M41-V124 HydrophobicContact CE-CG1 4.45Å; M41-V124 HydrophobicContact CE-CG2 3.76Å; M41-V124 HydrophobicContact SD-CG1 3.93Å; M41-V124 HydrophobicContact SD-CG2 4.32Å
42	F	92.5	Very high	82.3	Confident	4 Å²	4	43.8 Å²	43.8	2%	0.018	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	164.7	174.7	-68.3	-72.9	0	0	0	111.2	A40 A55 L58 A62 D85 K86 D87 T88 F113 Y138 T343	A40-F42 HydrophobicContact CB-CD2 4.03Å; A40-F42 HydrophobicContact CB-CE2 3.74Å; F42-A55 HydrophobicContact CB-CB 3.67Å; F42-A55 HydrophobicContact CG-CB 4.36Å; F42-L58 HydrophobicContact CD1-CD1 4.31Å; F42-L58 HydrophobicContact CE1-CB 4.17Å; F42-L58 HydrophobicContact CE1-CD1 4.24Å; F42-A62 HydrophobicContact CZ-CB 4.45Å; F42-D85 WeakPolarHBondContact CD2-OD1 3.36Å; F42-K86 PolarHBondContact N-O 3.22Å; F42-D87 WeakPolarHBondContact O-CA 3.3Å; F42-T88 PolarHBondContact O-N 3.14Å; F42-T88 PolarHBondContact O-OG1 3.44Å; F42-F113 HydrophobicContact CZ-CD1 4.31Å; F42-F113 HydrophobicContact CZ-CE1 4.1Å; F42-Y138 AromaticContact CD1-CE1 3.64Å; F42-Y138 HydrophobicContact CD1-CE1 3.64Å; F42-Y138 AromaticContact CD1-CZ 3.83Å; F42-Y138 WeakPolarHBondContact CD1-OH 3.22Å; F42-Y138 HydrophobicContact CE1-CD1 4.14Å; F42-Y138 AromaticContact CE1-CE1 3.45Å; F42-Y138 HydrophobicContact CE1-CE1 3.45Å; F42-Y138 VanDerWaalsContact CE1-CE1 3.45Å; F42-Y138 AromaticContact CE1-CZ 3.99Å; F42-Y138 HydrophobicContact CZ-CE1 4.46Å; F42-T343 HydrophobicContact CE1-CG2 4.3Å; F42-T343 HydrophobicContact CZ-CG2 4.33Å
43	T	91.4	Very high	82.9	Confident	0 Å²	0	36 Å²	36	0%	0	21%	0.206	C	C	.	.			trans	-116.7	134.4	175.7	176.2	0	0	0	0	109.9	V45 A54 A55 C90 A116	T43-V45 VanDerWaalsContact C-N 3.3Å; T43-V45 WeakPolarHBondContact CG2-O 3.25Å; T43-V45 PolarHBondContact OG1-N 2.92Å; T43-V45 VanDerWaalsContact OG1-N 3.09Å; T43-V45 PolarHBondContact OG1-O 3.35Å; T43-A54 CarbonylContact O-C 3.58Å; T43-A54 WeakPolarHBondContact O-CA 3.47Å; T43-A55 WeakPolarHBondContact O-CB 3.39Å; T43-A55 PolarHBondContact O-N 3.01Å; T43-C90 PolarHBondContact OG1-N 3.39Å; T43-C90 PolarHBondContact OG1-SG 2.87Å; T43-A116 HydrophobicContact CG2-CB 4.29Å
44	S	88.4	Confident	83.2	Confident	69 Å²	69	32 Å²	32	48%	0.483	19%	0.189	S	C	.	.	S	Bend	trans	-79.7	-11.5	170.1	58.2	0	0	0	0	113.6	D87	S44-D87 VanDerWaalsContact CB-OD2 3.29Å; S44-D87 WeakPolarHBondContact CB-OD2 3.43Å; S44-D87 PolarHBondContact N-OD1 3.01Å; S44-D87 VanDerWaalsContact OG-CG 3.28Å; S44-D87 PolarHBondContact OG-OD1 2.92Å; S44-D87 PolarHBondContact OG-OD2 3.07Å
45	V	84.2	Confident	83.6	Confident	68 Å²	68	29 Å²	29	41%	0.412	17%	0.172	S	C	.	.	S	Bend	trans	-110.8	138.5	-176.1	-174.2	0	0	0	0	110.5	T43 Q89	T43-V45 VanDerWaalsContact C-N 3.3Å; T43-V45 WeakPolarHBondContact CG2-O 3.25Å; T43-V45 PolarHBondContact OG1-N 2.92Å; T43-V45 VanDerWaalsContact OG1-N 3.09Å; T43-V45 PolarHBondContact OG1-O 3.35Å; V45-Q89 HydrophobicContact CG2-CB 4.27Å
46	E	74.6	Confident	83.7	Confident	72 Å²	72	29.2 Å²	29.2	34%	0.336	18%	0.176	S	C	.	.			trans	-96.3	117.3	171.5	-61.5	-172.8	160.1	0	0	110.1	A54 N57	E46-A54 HydrophobicContact CG-CB 3.49Å; E46-A54 VanDerWaalsContact CG-CB 3.49Å; E46-N57 PolarHBondContact OE1-ND2 3.05Å
47	E	72.3	Confident	83.9	Confident	78 Å²	78	28.1 Å²	28.1	36%	0.364	17%	0.17	S	C	.	.			trans	-83.8	150.1	162.7	-70.1	-174	169.6	0	0	110	T49 F50 A51 C90	E47-T49 PolarHBondContact O-N 3Å; E47-T49 VanDerWaalsContact O-N 3.17Å; E47-F50 HydrophobicContact CB-CD2 4.33Å; E47-F50 CarbonylContact O-C 3.6Å; E47-F50 VanDerWaalsContact O-C 3.27Å; E47-F50 PolarHBondContact O-N 3.41Å; E47-A51 PolarHBondContact O-N 3.03Å; E47-A51 VanDerWaalsContact O-N 3.15Å; E47-C90 HydrophobicContact CG-CB 4.39Å
48	S	65.4	Low	84	Confident	92 Å²	92	25.4 Å²	25.4	64%	0.643	16%	0.159	S	C	*	.	G	3₁₀ helix	trans	-58.8	-31	-178.7	55.4	0	0	0	0	113.6	F50	S48-F50 VanDerWaalsContact C-N 3.31Å
49	T	68.5	Low	84	Confident	36 Å²	36	28.6 Å²	28.6	22%	0.221	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-65.3	-34.1	175.5	36.1	0	0	0	0	112.3	E47	E47-T49 PolarHBondContact O-N 3Å; E47-T49 VanDerWaalsContact O-N 3.17Å
50	F	74	Confident	84	Confident	2 Å²	2	29.6 Å²	29.6	1%	0.009	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-119.6	38.6	-174.8	-53	-76.3	0	0	0	111.6	E47 S48 G52 S53 A116 C117	E47-F50 HydrophobicContact CB-CD2 4.33Å; E47-F50 CarbonylContact O-C 3.6Å; E47-F50 VanDerWaalsContact O-C 3.27Å; E47-F50 PolarHBondContact O-N 3.41Å; S48-F50 VanDerWaalsContact C-N 3.31Å; F50-G52 PolarHBondContact O-N 3.33Å; F50-S53 VanDerWaalsContact CB-OG 3.28Å; F50-S53 WeakPolarHBondContact CB-OG 3.38Å; F50-S53 WeakPolarHBondContact O-CB 3.49Å; F50-S53 PolarHBondContact O-N 2.95Å; F50-S53 PolarHBondContact O-OG 3.47Å; F50-A116 WeakPolarHBondContact CD1-O 3.3Å; F50-A116 WeakPolarHBondContact CE1-O 3.29Å; F50-A116 WeakPolarHBondContact CE2-O 3.23Å; F50-A116 WeakPolarHBondContact CZ-O 3.48Å; F50-C117 HydrophobicContact CE2-CB 4.46Å
51	A	70.4	Confident	83.9	Confident	21 Å²	21	29.6 Å²	29.6	17%	0.174	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	128.8	178.5	0	0	0	0	0	111.1	E47 E276	E47-A51 PolarHBondContact O-N 3.03Å; E47-A51 VanDerWaalsContact O-N 3.15Å; A51-E276 HydrophobicContact CB-CG 4.18Å
52	G	77.2	Confident	83.9	Confident	9 Å²	9	29.7 Å²	29.7	9%	0.093	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.1	-5.4	-175.2	0	0	0	0	0	115.8	F50 A54 N57 S337	F50-G52 PolarHBondContact O-N 3.33Å; G52-A54 VanDerWaalsContact C-N 3.26Å; G52-A54 PolarHBondContact O-N 2.86Å; G52-N57 PolarHBondContact O-ND2 2.85Å; G52-S337 WeakPolarHBondContact O-CB 3.44Å; G52-S337 PolarHBondContact O-OG 2.95Å
53	S	82.6	Confident	83.9	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.209	C	C	.	.			trans	-77.6	-2	-179.8	64.5	0	0	0	0	115.2	F50 L58	F50-S53 VanDerWaalsContact CB-OG 3.28Å; F50-S53 WeakPolarHBondContact CB-OG 3.38Å; F50-S53 WeakPolarHBondContact O-CB 3.49Å; F50-S53 PolarHBondContact O-N 2.95Å; F50-S53 PolarHBondContact O-OG 3.47Å; S53-L58 WeakPolarHBondContact O-CD1 3.41Å
54	A	87.2	Confident	84	Confident	3 Å²	3	35.4 Å²	35.4	3%	0.025	21%	0.209	C	C	.	.	S	Bend	trans	-58.8	144.3	177.6	0	0	0	0	0	112.4	T43 E46 G52 S56 N57 L58	T43-A54 CarbonylContact O-C 3.58Å; T43-A54 WeakPolarHBondContact O-CA 3.47Å; E46-A54 HydrophobicContact CG-CB 3.49Å; E46-A54 VanDerWaalsContact CG-CB 3.49Å; G52-A54 VanDerWaalsContact C-N 3.26Å; G52-A54 PolarHBondContact O-N 2.86Å; A54-S56 PolarHBondContact O-N 3.33Å; A54-S56 VanDerWaalsContact O-N 3.16Å; A54-N57 WeakPolarHBondContact O-CB 3.46Å; A54-N57 PolarHBondContact O-N 2.95Å; A54-L58 PolarHBondContact O-N 2.8Å
55	A	90.3	Very high	84.1	Confident	15 Å²	15	32.1 Å²	32.1	12%	0.124	19%	0.186	C	C	.	.	H	α-helix	trans	-50.9	-41.3	178	0	0	0	0	0	111.9	F42 T43 N57 L58 N59	F42-A55 HydrophobicContact CB-CB 3.67Å; F42-A55 HydrophobicContact CG-CB 4.36Å; T43-A55 WeakPolarHBondContact O-CB 3.39Å; T43-A55 PolarHBondContact O-N 3.01Å; A55-N57 PolarHBondContact O-N 3.46Å; A55-N57 VanDerWaalsContact O-N 3.12Å; A55-L58 PolarHBondContact O-N 3.17Å; A55-N59 WeakPolarHBondContact O-CB 3.46Å; A55-N59 PolarHBondContact O-N 3.41Å; A55-N59 PolarHBondContact O-ND2 2.91Å; A55-N59 PolarHBondContact O-OD1 3.46Å
56	S	89.5	Confident	84.5	Confident	60 Å²	60	30.6 Å²	30.6	42%	0.42	18%	0.175	S	C	.	.	H	α-helix	trans	-55.5	-31.8	178.1	52.3	0	0	0	0	113.3	A54 C334	A54-S56 PolarHBondContact O-N 3.33Å; A54-S56 VanDerWaalsContact O-N 3.16Å; S56-C334 PolarHBondContact O-SG 3.04Å; S56-C334 VanDerWaalsContact O-SG 3.39Å
57	N	90.2	Very high	85.3	Confident	3 Å²	3	30.3 Å²	30.3	2%	0.016	17%	0.171	C	C	.	.	H	α-helix	trans	-87.3	-26.6	-179.5	-52.7	-29	0	0	0	112.9	E46 G52 A54 A55 Y325 R335	E46-N57 PolarHBondContact OE1-ND2 3.05Å; G52-N57 PolarHBondContact O-ND2 2.85Å; A54-N57 WeakPolarHBondContact O-CB 3.46Å; A54-N57 PolarHBondContact O-N 2.95Å; A55-N57 PolarHBondContact O-N 3.46Å; A55-N57 VanDerWaalsContact O-N 3.12Å; N57-Y325 WeakPolarHBondContact O-CE2 3.37Å; N57-Y325 PolarHBondContact O-OH 2.91Å; N57-R335 WeakPolarHBondContact CB-O 3.46Å; N57-R335 VanDerWaalsContact CG-O 3.29Å; N57-R335 PolarHBondContact OD1-N 2.88Å; N57-R335 PolarHBondContact OD1-O 2.95Å
58	L	92.2	Very high	86.1	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-97.4	-25.5	-173.9	-58.2	-177.2	0	0	0	113.3	F42 S53 A54 A55 P60 A61 A62 Y138 S337 T343	F42-L58 HydrophobicContact CD1-CD1 4.31Å; F42-L58 HydrophobicContact CE1-CB 4.17Å; F42-L58 HydrophobicContact CE1-CD1 4.24Å; S53-L58 WeakPolarHBondContact O-CD1 3.41Å; A54-L58 PolarHBondContact O-N 2.8Å; A55-L58 PolarHBondContact O-N 3.17Å; L58-P60 VanDerWaalsContact C-CD 3.47Å; L58-P60 VanDerWaalsContact C-N 3.33Å; L58-A61 WeakPolarHBondContact O-CA 3.39Å; L58-A61 WeakPolarHBondContact O-CB 3.12Å; L58-A61 PolarHBondContact O-N 3.29Å; L58-A62 PolarHBondContact O-N 2.8Å; L58-Y138 HydrophobicContact CD1-CD2 3.78Å; L58-Y138 HydrophobicContact CD1-CE1 4.25Å; L58-Y138 HydrophobicContact CD1-CE2 3.23Å; L58-S337 WeakPolarHBondContact CD2-OG 3.41Å; L58-T343 HydrophobicContact CB-CG2 4.4Å
59	N	92.2	Very high	87.3	Confident	68 Å²	68	24.3 Å²	24.3	36%	0.364	13%	0.134	S	C	.	.	H	α-helix	trans	-52.9	-41.6	178.7	-75.3	-10.7	0	0	0	113.6	A55 A61 A62 F63	A55-N59 WeakPolarHBondContact O-CB 3.46Å; A55-N59 PolarHBondContact O-N 3.41Å; A55-N59 PolarHBondContact O-ND2 2.91Å; A55-N59 PolarHBondContact O-OD1 3.46Å; N59-A61 VanDerWaalsContact C-N 3.32Å; N59-A61 PolarHBondContact O-N 2.83Å; N59-A62 PolarHBondContact O-N 3.44Å; N59-F63 WeakPolarHBondContact O-CB 3.48Å; N59-F63 PolarHBondContact O-N 3.26Å
60	P	93.1	Very high	88.3	Confident	20 Å²	20	25.3 Å²	25.3	13%	0.13	14%	0.139	C	C	.	.	H	α-helix	trans	-61	-39.1	174	-23.9	34.8	0	0	0	113.2	L58 L64 Y325 M328 C329	L58-P60 VanDerWaalsContact C-CD 3.47Å; L58-P60 VanDerWaalsContact C-N 3.33Å; P60-L64 WeakPolarHBondContact O-CB 3.07Å; P60-L64 VanDerWaalsContact O-CG 3.27Å; P60-L64 WeakPolarHBondContact O-CG 3.43Å; P60-L64 PolarHBondContact O-N 3.04Å; P60-Y325 HydrophobicContact CB-CD2 4.04Å; P60-Y325 HydrophobicContact CB-CE2 3.99Å; P60-Y325 HydrophobicContact CG-CE2 4.48Å; P60-M328 HydrophobicContact CB-CB 3.96Å; P60-C329 HydrophobicContact CG-CB 4.36Å
61	A	92.2	Very high	88.9	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-70.8	-40.4	178.5	0	0	0	0	0	112.1	L58 N59 L64 A65 Y321 Y325 H340	L58-A61 WeakPolarHBondContact O-CA 3.39Å; L58-A61 WeakPolarHBondContact O-CB 3.12Å; L58-A61 PolarHBondContact O-N 3.29Å; N59-A61 VanDerWaalsContact C-N 3.32Å; N59-A61 PolarHBondContact O-N 2.83Å; A61-L64 PolarHBondContact O-N 3.23Å; A61-A65 PolarHBondContact O-N 2.84Å; A61-Y321 WeakPolarHBondContact CB-OH 3.38Å; A61-Y325 HydrophobicContact CB-CD2 4.08Å; A61-Y325 HydrophobicContact CB-CE2 4.04Å; A61-H340 HydrophobicContact CB-CB 4.12Å; A61-H340 WeakPolarHBondContact CB-O 3.36Å
62	A	93.2	Very high	89.7	Confident	4 Å²	4	34.6 Å²	34.6	3%	0.033	18%	0.176	C	C	.	.	H	α-helix	trans	-61.7	-44.7	173.9	0	0	0	0	0	111.5	F42 L58 N59 L64 A65 L66 L83 T343 L347	F42-A62 HydrophobicContact CZ-CB 4.45Å; L58-A62 PolarHBondContact O-N 2.8Å; N59-A62 PolarHBondContact O-N 3.44Å; A62-L64 PolarHBondContact O-N 3.49Å; A62-A65 PolarHBondContact O-N 3.2Å; A62-L66 WeakPolarHBondContact O-CG 3.37Å; A62-L66 PolarHBondContact O-N 3.5Å; A62-L83 HydrophobicContact CB-CD1 4.41Å; A62-T343 HydrophobicContact CB-CG2 4.19Å; A62-L347 HydrophobicContact CB-CD1 3.91Å
63	F	93.6	Very high	90	Very high	123 Å²	123	39.1 Å²	39.1	54%	0.539	20%	0.204	S	C	.	.	H	α-helix	trans	-61	-45	176.4	178.3	-98	0	0	0	112.5	N59 A65 L66 R67 M328	N59-F63 WeakPolarHBondContact O-CB 3.48Å; N59-F63 PolarHBondContact O-N 3.26Å; F63-A65 VanDerWaalsContact C-N 3.35Å; F63-A65 PolarHBondContact O-N 2.81Å; F63-L66 PolarHBondContact O-N 2.8Å; F63-R67 VanDerWaalsContact O-CB 3.26Å; F63-R67 WeakPolarHBondContact O-CB 3.18Å; F63-R67 PolarHBondContact O-N 3.43Å; F63-M328 HydrophobicContact CD1-SD 4.26Å
64	L	92.2	Very high	90.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-57.9	-47.1	175.1	-77.1	171.1	0	0	0	111.3	P60 A61 A62 R67 D68 Y321 E324 M328 Y344	P60-L64 WeakPolarHBondContact O-CB 3.07Å; P60-L64 VanDerWaalsContact O-CG 3.27Å; P60-L64 WeakPolarHBondContact O-CG 3.43Å; P60-L64 PolarHBondContact O-N 3.04Å; A61-L64 PolarHBondContact O-N 3.23Å; A62-L64 PolarHBondContact O-N 3.49Å; L64-R67 VanDerWaalsContact CD2-CZ 3.44Å; L64-R67 VanDerWaalsContact CD2-NH2 3.31Å; L64-R67 PolarHBondContact O-N 3.37Å; L64-D68 WeakPolarHBondContact O-CB 3.26Å; L64-D68 PolarHBondContact O-N 3.45Å; L64-Y321 HydrophobicContact CB-CE2 4.41Å; L64-Y321 HydrophobicContact CD1-CD2 4.19Å; L64-Y321 HydrophobicContact CD1-CE2 3.83Å; L64-E324 HydrophobicContact CD1-CB 4.47Å; L64-E324 HydrophobicContact CD2-CB 4.49Å; L64-M328 HydrophobicContact CD1-SD 4.27Å; L64-M328 HydrophobicContact CD2-CE 3.37Å; L64-M328 HydrophobicContact CD2-SD 3.95Å; L64-M328 HydrophobicContact CG-CE 4.02Å; L64-M328 HydrophobicContact CG-SD 3.91Å; L64-Y344 HydrophobicContact CB-CD2 4.15Å; L64-Y344 HydrophobicContact CB-CE2 4.13Å
65	A	91.1	Very high	89.8	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.2	-49.5	179.2	0	0	0	0	0	112.2	A61 A62 F63 R67 D68 I69 Y344 L347	A61-A65 PolarHBondContact O-N 2.84Å; A62-A65 PolarHBondContact O-N 3.2Å; F63-A65 VanDerWaalsContact C-N 3.35Å; F63-A65 PolarHBondContact O-N 2.81Å; A65-R67 VanDerWaalsContact C-N 3.33Å; A65-R67 PolarHBondContact O-N 3.48Å; A65-D68 PolarHBondContact O-N 3.5Å; A65-I69 WeakPolarHBondContact O-CB 3.33Å; A65-I69 WeakPolarHBondContact O-CD1 3.15Å; A65-I69 WeakPolarHBondContact O-CG1 3.44Å; A65-I69 PolarHBondContact O-N 3.11Å; A65-Y344 VanDerWaalsContact CA-CE2 3.49Å; A65-Y344 HydrophobicContact CB-CD2 3.61Å; A65-Y344 HydrophobicContact CB-CE2 3.95Å; A65-Y344 HydrophobicContact CB-CG 4Å; A65-L347 HydrophobicContact CB-CB 3.95Å; A65-L347 HydrophobicContact CB-CD1 3.85Å
66	L	92.6	Very high	89.5	Confident	37 Å²	37	43.3 Å²	43.3	19%	0.194	23%	0.23	C	C	.	.	H	α-helix	trans	-60.8	-42.5	178.8	-65.2	174.4	0	0	0	111.9	A62 F63 D68 D70 L81 L83 L347	A62-L66 WeakPolarHBondContact O-CG 3.37Å; A62-L66 PolarHBondContact O-N 3.5Å; F63-L66 PolarHBondContact O-N 2.8Å; L66-D68 VanDerWaalsContact C-N 3.34Å; L66-D68 PolarHBondContact O-N 2.85Å; L66-D70 VanDerWaalsContact O-CB 3.3Å; L66-D70 WeakPolarHBondContact O-CB 3.27Å; L66-D70 PolarHBondContact O-N 2.97Å; L66-L81 HydrophobicContact CD2-CB 4.12Å; L66-L81 HydrophobicContact CD2-CD2 3.93Å; L66-L81 HydrophobicContact CD2-CG 4.1Å; L66-L83 HydrophobicContact CD1-CD1 3.89Å; L66-L83 HydrophobicContact CD1-CG 3.87Å; L66-L83 HydrophobicContact CD2-CG 4.24Å; L66-L347 HydrophobicContact CD2-CD1 4.48Å; L66-L347 HydrophobicContact CG-CD1 4.42Å
67	R	91.8	Very high	89.1	Confident	65 Å²	65	44.5 Å²	44.5	25%	0.245	23%	0.234	C	C	.	.	H	α-helix	trans	-60.6	-44.1	176.2	-178.1	-164	75.3	178.8	-1.3	111.5	F63 L64 A65 K71 E324	F63-R67 VanDerWaalsContact O-CB 3.26Å; F63-R67 WeakPolarHBondContact O-CB 3.18Å; F63-R67 PolarHBondContact O-N 3.43Å; L64-R67 VanDerWaalsContact CD2-CZ 3.44Å; L64-R67 VanDerWaalsContact CD2-NH2 3.31Å; L64-R67 PolarHBondContact O-N 3.37Å; A65-R67 VanDerWaalsContact C-N 3.33Å; A65-R67 PolarHBondContact O-N 3.48Å; R67-K71 HydrophobicContact CG-CD 4.31Å; R67-K71 WeakPolarHBondContact O-CB 3.34Å; R67-K71 VanDerWaalsContact O-CG 3.31Å; R67-K71 WeakPolarHBondContact O-CG 3.33Å; R67-K71 PolarHBondContact O-N 3.43Å; R67-E324 IonicContact CZ-OE2 2.79Å; R67-E324 IonicContact NH1-OE2 2.74Å; R67-E324 PolarHBondContact NH1-OE2 2.84Å; R67-E324 IonicContact NH2-OE2 2.84Å; R67-E324 PolarHBondContact NH2-OE2 3.49Å
68	D	89.3	Confident	88.7	Confident	40 Å²	40	45.3 Å²	45.3	21%	0.214	24%	0.244	C	C	.	.	H	α-helix	trans	-76.2	-33.9	-174.8	-64.5	-11.3	0	0	0	111.2	L64 A65 L66 H72 Y344 W348	L64-D68 WeakPolarHBondContact O-CB 3.26Å; L64-D68 PolarHBondContact O-N 3.45Å; A65-D68 PolarHBondContact O-N 3.5Å; L66-D68 VanDerWaalsContact C-N 3.34Å; L66-D68 PolarHBondContact O-N 2.85Å; D68-H72 PolarHBondContact O-N 2.93Å; D68-Y344 PolarHBondContact OD2-OH 2.82Å; D68-W348 HydrophobicContact CB-CZ2 4.02Å
69	I	88.9	Confident	88.4	Confident	4 Å²	4	49.2 Å²	49.2	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-63.3	-49.9	169.9	-68	160.8	0	0	0	110.3	A65 K71 H72 V75 L76 L81 L347 W348 A351	A65-I69 WeakPolarHBondContact O-CB 3.33Å; A65-I69 WeakPolarHBondContact O-CD1 3.15Å; A65-I69 WeakPolarHBondContact O-CG1 3.44Å; A65-I69 PolarHBondContact O-N 3.11Å; I69-K71 PolarHBondContact O-N 3.32Å; I69-H72 WeakPolarHBondContact O-CB 3.17Å; I69-H72 PolarHBondContact O-N 2.69Å; I69-V75 HydrophobicContact CG2-CG1 4.49Å; I69-L76 HydrophobicContact CG2-CD1 4.09Å; I69-L81 HydrophobicContact CD1-CD2 4.23Å; I69-L347 HydrophobicContact CD1-CB 4.36Å; I69-W348 HydrophobicContact CB-CZ2 4.48Å; I69-W348 HydrophobicContact CD1-CD2 4.26Å; I69-W348 HydrophobicContact CD1-CG 4.28Å; I69-W348 HydrophobicContact CG1-CD2 3.67Å; I69-W348 HydrophobicContact CG1-CE3 3.98Å; I69-W348 HydrophobicContact CG1-CG 4.2Å; I69-W348 HydrophobicContact CG1-CH2 4.05Å; I69-W348 HydrophobicContact CG1-CZ2 3.74Å; I69-W348 HydrophobicContact CG1-CZ3 4.16Å; I69-A351 HydrophobicContact CD1-CB 3.87Å; I69-A351 HydrophobicContact CG1-CB 4.21Å; I69-A351 HydrophobicContact CG2-CB 4.02Å
70	D	89.5	Confident	88.3	Confident	58 Å²	58	48.7 Å²	48.7	31%	0.31	26%	0.256	S	S	.	.	H	α-helix	trans	-63.7	-29	-176.2	-171.4	65.7	0	0	0	113.3	K33 L66	K33-D70 WeakPolarHBondContact CD-OD1 3.11Å; K33-D70 PolarHBondContact NZ-O 3.33Å; K33-D70 IonicContact NZ-OD1 3.02Å; K33-D70 PolarHBondContact NZ-OD1 2.92Å; K33-D70 IonicContact NZ-OD2 2.89Å; K33-D70 PolarHBondContact NZ-OD2 2.84Å; L66-D70 VanDerWaalsContact O-CB 3.3Å; L66-D70 WeakPolarHBondContact O-CB 3.27Å; L66-D70 PolarHBondContact O-N 2.97Å
71	K	88.1	Confident	88.1	Confident	149 Å²	149	48 Å²	48	65%	0.648	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-9.5	176.5	-71.8	179.6	-179.6	-176.4	0	113.8	R67 I69	R67-K71 HydrophobicContact CG-CD 4.31Å; R67-K71 WeakPolarHBondContact O-CB 3.34Å; R67-K71 VanDerWaalsContact O-CG 3.31Å; R67-K71 WeakPolarHBondContact O-CG 3.33Å; R67-K71 PolarHBondContact O-N 3.43Å; I69-K71 PolarHBondContact O-N 3.32Å
72	H	86.3	Confident	88.1	Confident	69 Å²	69	50.2 Å²	50.2	32%	0.319	27%	0.265	S	S	.	.			trans	-73.4	131.5	-174.7	-152.1	65	0	0	0	110.7	D68 I69 C74 V75 W348	D68-H72 PolarHBondContact O-N 2.93Å; I69-H72 WeakPolarHBondContact O-CB 3.17Å; I69-H72 PolarHBondContact O-N 2.69Å; H72-C74 VanDerWaalsContact C-N 3.31Å; H72-C74 PolarHBondContact O-N 3.2Å; H72-V75 HydrophobicContact CB-CB 4.32Å; H72-W348 HydrophobicContact CB-CH2 4.04Å; H72-W348 AromaticContact CG-CH2 3.86Å
73	P	84.1	Confident	88.1	Confident	104 Å²	104	51.8 Å²	51.8	68%	0.675	27%	0.273	S	S	*	.	S	Bend	trans	-73.2	-20.4	-169.9	27.5	-35.1	0	0	0	114.4	V77	P73-V77 WeakPolarHBondContact O-CG2 3.23Å
74	C	83.4	Confident	88.1	Confident	87 Å²	87	46.9 Å²	46.9	59%	0.588	25%	0.252	S	S	*	.	S	Bend	trans	-120.2	-5.8	-170.2	-58.2	0	0	0	0	114.3	H72	H72-C74 VanDerWaalsContact C-N 3.31Å; H72-C74 PolarHBondContact O-N 3.2Å
75	V	82.5	Confident	88	Confident	13 Å²	13	50.6 Å²	50.6	8%	0.079	27%	0.272	C	S	.	.	S	Bend	trans	-111.9	130.6	-176.3	169.3	0	0	0	0	108.3	I69 H72 V77 W348 A351 L352	I69-V75 HydrophobicContact CG2-CG1 4.49Å; H72-V75 HydrophobicContact CB-CB 4.32Å; V75-V77 VanDerWaalsContact C-N 3.3Å; V75-V77 PolarHBondContact O-N 3.37Å; V75-W348 HydrophobicContact CG1-CZ3 4.5Å; V75-W348 HydrophobicContact CG2-CZ3 4.45Å; V75-A351 HydrophobicContact CG1-CB 4.37Å; V75-L352 HydrophobicContact CG2-CD2 3.91Å
76	L	82.9	Confident	88.1	Confident	6 Å²	6	53.7 Å²	53.7	3%	0.031	29%	0.285	C	S	.	.	S	Bend	trans	53.7	42.6	178.2	-63.7	-179.1	0	0	0	113.2	L36 I69 G78 Y79 A351 F354 E355 L358	L36-L76 HydrophobicContact CD1-CD1 4.43Å; L36-L76 HydrophobicContact CD1-CD2 4.03Å; I69-L76 HydrophobicContact CG2-CD1 4.09Å; L76-G78 PolarHBondContact O-N 3.08Å; L76-G78 VanDerWaalsContact O-N 3.12Å; L76-Y79 PolarHBondContact O-N 2.87Å; L76-Y79 VanDerWaalsContact O-O 3.13Å; L76-A351 HydrophobicContact CD1-CB 3.86Å; L76-F354 HydrophobicContact CD2-CB 3.92Å; L76-E355 WeakPolarHBondContact CA-OE2 3.48Å; L76-E355 PolarHBondContact N-OE2 2.87Å; L76-L358 HydrophobicContact CD2-CD1 3.94Å
77	V	82.4	Confident	88.1	Confident	84 Å²	84	54.8 Å²	54.8	51%	0.509	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	117.6	-178.7	-176.3	0	0	0	0	110.4	P73 V75	P73-V77 WeakPolarHBondContact O-CG2 3.23Å; V75-V77 VanDerWaalsContact C-N 3.3Å; V75-V77 PolarHBondContact O-N 3.37Å
78	G	81.9	Confident	88.2	Confident	21 Å²	21	51.8 Å²	51.8	22%	0.216	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	-0.1	-176.4	0	0	0	0	0	114.9	K33 T34 L76	K33-G78 CarbonylContact C-O 3.54Å; K33-G78 WeakPolarHBondContact CA-O 3.09Å; T34-G78 PolarHBondContact N-O 3.25Å; L76-G78 PolarHBondContact O-N 3.08Å; L76-G78 VanDerWaalsContact O-N 3.12Å
79	Y	85.5	Confident	88.2	Confident	81 Å²	81	53.2 Å²	53.2	32%	0.318	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	158.4	174	-62.5	-87.3	0	0	0	110.9	T34 L36 L76 L358	T34-Y79 HydrophobicContact CG2-CD1 4.22Å; T34-Y79 HydrophobicContact CG2-CE1 4.24Å; T34-Y79 CarbonylContact O-C 3.58Å; T34-Y79 WeakPolarHBondContact O-CA 3.31Å; L36-Y79 HydrophobicContact CD1-CD1 4.03Å; L36-Y79 HydrophobicContact CD1-CG 4.06Å; L36-Y79 HydrophobicContact CD2-CD1 3.9Å; L36-Y79 HydrophobicContact CD2-CE1 4.36Å; L36-Y79 HydrophobicContact CG-CD1 3.87Å; L36-Y79 HydrophobicContact CG-CG 4.32Å; L76-Y79 PolarHBondContact O-N 2.87Å; L76-Y79 VanDerWaalsContact O-O 3.13Å; Y79-L358 HydrophobicContact CD2-CD1 4.02Å; Y79-L358 HydrophobicContact CE2-CD1 3.84Å; Y79-L358 HydrophobicContact CE2-CD2 4.41Å
80	N	88.7	Confident	88.2	Confident	57 Å²	57	53.4 Å²	53.4	31%	0.305	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	123.8	173.3	-179.8	8.3	0	0	0	109.6	K33 T34 P35 L36 T82	K33-N80 HydrophobicContact CB-CB 3.98Å; K33-N80 HydrophobicContact CD-CB 4.19Å; T34-N80 PolarHBondContact O-N 3.42Å; P35-N80 CarbonylContact C-O 3.54Å; P35-N80 WeakPolarHBondContact CA-O 3.44Å; L36-N80 PolarHBondContact N-O 3.05Å; N80-T82 PolarHBondContact O-N 2.78Å
81	L	89.8	Confident	88.4	Confident	7 Å²	7	56.1 Å²	56.1	4%	0.037	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	119.2	178.3	-163.8	68.6	0	0	0	110.1	L36 V38 L66 I69 A351	L36-L81 HydrophobicContact CB-CD1 4.15Å; V38-L81 HydrophobicContact CG2-CD1 3.6Å; V38-L81 HydrophobicContact CG2-CG 4.32Å; L66-L81 HydrophobicContact CD2-CB 4.12Å; L66-L81 HydrophobicContact CD2-CD2 3.93Å; L66-L81 HydrophobicContact CD2-CG 4.1Å; I69-L81 HydrophobicContact CD1-CD2 4.23Å; L81-A351 HydrophobicContact CD2-CB 4.45Å
82	T	92.3	Very high	88.5	Confident	46 Å²	46	50.7 Å²	50.7	28%	0.282	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	129	-177.5	-55.3	0	0	0	0	110.4	L36 Y37 V38 N80	L36-T82 PolarHBondContact O-N 3.31Å; Y37-T82 CarbonylContact C-O 3.59Å; Y37-T82 WeakPolarHBondContact CA-O 3.49Å; Y37-T82 HydrophobicContact CD1-CG2 4.06Å; Y37-T82 HydrophobicContact CE1-CG2 4.04Å; V38-T82 PolarHBondContact N-O 3.14Å; N80-T82 PolarHBondContact O-N 2.78Å
83	L	93	Very high	88.9	Confident	37 Å²	37	51.8 Å²	51.8	19%	0.194	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	139.6	177.7	-59.1	-175.7	0	0	0	111.6	V38 A40 A62 L66 L347	V38-L83 HydrophobicContact CB-CD2 3.77Å; V38-L83 HydrophobicContact CG1-CD2 3.98Å; V38-L83 CarbonylContact O-C 3.54Å; V38-L83 WeakPolarHBondContact O-CA 3.43Å; A40-L83 HydrophobicContact CB-CB 4.11Å; A40-L83 HydrophobicContact CB-CD1 4.34Å; A40-L83 HydrophobicContact CB-CD2 4.47Å; A62-L83 HydrophobicContact CB-CD1 4.41Å; L66-L83 HydrophobicContact CD1-CD1 3.89Å; L66-L83 HydrophobicContact CD1-CG 3.87Å; L66-L83 HydrophobicContact CD2-CG 4.24Å; L83-L347 HydrophobicContact CD1-CD1 4.3Å; L83-L347 HydrophobicContact CD1-CD2 4.29Å; L83-L347 HydrophobicContact CD2-CD2 3.87Å
84	I	92.9	Very high	89.3	Confident	19 Å²	19	49 Å²	49	10%	0.097	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	95.4	166.9	-53.9	-169.9	0	0	0	107.8	Y37 V38 A40 K107 I109	Y37-I84 HydrophobicContact CD1-CD1 4.09Å; Y37-I84 HydrophobicContact CD1-CG1 4.16Å; Y37-I84 HydrophobicContact CG-CD1 4.39Å; V38-I84 PolarHBondContact O-N 3.11Å; A40-I84 PolarHBondContact N-O 2.98Å; I84-K107 HydrophobicContact CD1-CB 4.21Å; I84-K107 HydrophobicContact CD1-CD 3.5Å; I84-I109 HydrophobicContact CD1-CD1 3.48Å; I84-I109 VanDerWaalsContact CD1-CD1 3.48Å; I84-I109 HydrophobicContact CG1-CD1 4.34Å
85	D	90.9	Very high	89.8	Confident	79 Å²	79	44.9 Å²	44.9	42%	0.422	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	134.1	-176.2	-168.3	2.4	0	0	0	112.1	A40 F42	A40-D85 WeakPolarHBondContact O-CA 3.39Å; F42-D85 WeakPolarHBondContact CD2-OD1 3.36Å
86	K	93.4	Very high	90.3	Very high	65 Å²	65	46.1 Å²	46.1	28%	0.283	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	135.2	170.4	-66.9	-67.5	-173	151.3	0	110.2	A40 F42 D101 I102	A40-K86 PolarHBondContact O-N 3.17Å; F42-K86 PolarHBondContact N-O 3.22Å; K86-D101 HydrophobicContact CD-CB 4.41Å; K86-D101 IonicContact NZ-OD2 3.67Å; K86-D101 PolarHBondContact NZ-OD2 2.99Å; K86-I102 HydrophobicContact CB-CD1 4.16Å; K86-I102 HydrophobicContact CB-CG1 4.45Å; K86-I102 HydrophobicContact CG-CD1 3.95Å; K86-I102 HydrophobicContact CG-CG1 3.7Å
87	D	93.3	Very high	90.9	Very high	59 Å²	59	51.8 Å²	51.8	32%	0.316	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	124.9	178.3	-177.3	19.8	0	0	0	112.2	F42 S44 Q89 S98	F42-D87 WeakPolarHBondContact O-CA 3.3Å; S44-D87 VanDerWaalsContact CB-OD2 3.29Å; S44-D87 WeakPolarHBondContact CB-OD2 3.43Å; S44-D87 PolarHBondContact N-OD1 3.01Å; S44-D87 VanDerWaalsContact OG-CG 3.28Å; S44-D87 PolarHBondContact OG-OD1 2.92Å; S44-D87 PolarHBondContact OG-OD2 3.07Å; D87-Q89 PolarHBondContact OD1-N 3.11Å; D87-Q89 WeakPolarHBondContact OD2-CG 3.35Å; D87-S98 PolarHBondContact O-OG 3Å; D87-S98 VanDerWaalsContact O-OG 3.11Å
88	T	92.1	Very high	91.4	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.012	25%	0.254	C	S	.	.			trans	-92.5	-21.4	179.3	59.5	0	0	0	0	113.7	M41 F42 C90 K91 L94 T120	M41-T88 HydrophobicContact CB-CG2 3.91Å; M41-T88 HydrophobicContact CE-CG2 3.59Å; F42-T88 PolarHBondContact O-N 3.14Å; F42-T88 PolarHBondContact O-OG1 3.44Å; T88-C90 PolarHBondContact O-N 3.01Å; T88-K91 PolarHBondContact O-N 2.92Å; T88-L94 WeakPolarHBondContact O-CB 3.24Å; T88-T120 HydrophobicContact CG2-CG2 4.01Å
89	Q	90.7	Very high	91.9	Very high	70 Å²	70	47.1 Å²	47.1	33%	0.327	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.4	24.4	-172.3	-54.8	-177.5	7.9	0	0	114.7	V45 D87 K91 L94	V45-Q89 HydrophobicContact CG2-CB 4.27Å; D87-Q89 PolarHBondContact OD1-N 3.11Å; D87-Q89 WeakPolarHBondContact OD2-CG 3.35Å; Q89-K91 PolarHBondContact O-N 3.14Å; Q89-L94 HydrophobicContact CB-CD1 3.88Å; Q89-L94 HydrophobicContact CG-CD1 3.97Å
90	C	89.3	Confident	92.3	Very high	9 Å²	9	47.2 Å²	47.2	6%	0.061	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	18.3	-171.7	-68.4	0	0	0	0	115.9	T43 E47 T88 C117	T43-C90 PolarHBondContact OG1-N 3.39Å; T43-C90 PolarHBondContact OG1-SG 2.87Å; E47-C90 HydrophobicContact CG-CB 4.39Å; T88-C90 PolarHBondContact O-N 3.01Å; C90-C117 HydrophobicContact CB-CB 3.5Å; C90-C117 WeakPolarHBondContact CB-SG 3.27Å; C90-C117 WeakPolarHBondContact SG-CB 3.46Å; C90-C117 CovalentContact SG-SG 2.01Å; C90-C117 PolarHBondContact SG-SG 3.06Å
91	K	92	Very high	92.6	Very high	114 Å²	114	47.7 Å²	47.7	50%	0.496	25%	0.248	S	C	.	.			trans	-99.9	127.2	177.1	-67.4	178.4	-169.5	158.8	0	109.9	T88 Q89 S93 L94 G95	T88-K91 PolarHBondContact O-N 2.92Å; Q89-K91 PolarHBondContact O-N 3.14Å; K91-S93 VanDerWaalsContact C-N 3.26Å; K91-S93 PolarHBondContact O-N 3.4Å; K91-S93 VanDerWaalsContact O-N 3.16Å; K91-L94 HydrophobicContact CB-CB 4.21Å; K91-L94 HydrophobicContact CB-CD1 4.22Å; K91-L94 HydrophobicContact CB-CG 4.36Å; K91-L94 HydrophobicContact CD-CD1 3.92Å; K91-L94 PolarHBondContact O-N 3.13Å; K91-L94 VanDerWaalsContact O-N 3.08Å; K91-G95 PolarHBondContact O-N 3.23Å
92	A	92.1	Very high	92.7	Very high	36 Å²	36	47.3 Å²	47.3	30%	0.298	25%	0.246	S	C	.	.	H	α-helix	trans	-48.7	-44.9	179.3	0	0	0	0	0	113.4	G95 M96 A119 L123	A92-G95 PolarHBondContact O-N 3.25Å; A92-M96 PolarHBondContact O-N 3.34Å; A92-A119 HydrophobicContact CB-CB 4.45Å; A92-A119 WeakPolarHBondContact CB-O 3.47Å; A92-L123 HydrophobicContact CB-CD1 3.75Å
93	S	93.6	Very high	92.6	Very high	91 Å²	91	46.4 Å²	46.4	64%	0.636	24%	0.239	S	C	*	.	H	α-helix	trans	-67.5	-41.6	179.6	55.7	0	0	0	0	113.8	K91 K97	K91-S93 VanDerWaalsContact C-N 3.26Å; K91-S93 PolarHBondContact O-N 3.4Å; K91-S93 VanDerWaalsContact O-N 3.16Å; S93-K97 WeakPolarHBondContact O-CB 3.48Å; S93-K97 PolarHBondContact O-N 3.49Å
94	L	93.2	Very high	92.4	Very high	47 Å²	47	50.5 Å²	50.5	25%	0.246	26%	0.262	C	S	.	.	H	α-helix	trans	-73	-34	176.5	-72.9	174.6	0	0	0	111.8	T88 Q89 K91 K97 S98	T88-L94 WeakPolarHBondContact O-CB 3.24Å; Q89-L94 HydrophobicContact CB-CD1 3.88Å; Q89-L94 HydrophobicContact CG-CD1 3.97Å; K91-L94 HydrophobicContact CB-CB 4.21Å; K91-L94 HydrophobicContact CB-CD1 4.22Å; K91-L94 HydrophobicContact CB-CG 4.36Å; K91-L94 HydrophobicContact CD-CD1 3.92Å; K91-L94 PolarHBondContact O-N 3.13Å; K91-L94 VanDerWaalsContact O-N 3.08Å; L94-K97 PolarHBondContact O-N 2.97Å; L94-S98 WeakPolarHBondContact O-CB 3.49Å; L94-S98 PolarHBondContact O-N 2.84Å; L94-S98 PolarHBondContact O-OG 2.9Å
95	G	92.4	Very high	92.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-57.3	-51.8	170.7	0	0	0	0	0	111.6	M41 K91 A92 K97 S98 F99	M41-G95 VanDerWaalsContact CE-O 3.27Å; M41-G95 WeakPolarHBondContact CE-O 3.41Å; K91-G95 PolarHBondContact O-N 3.23Å; A92-G95 PolarHBondContact O-N 3.25Å; G95-K97 PolarHBondContact O-N 3.3Å; G95-S98 WeakPolarHBondContact O-CB 3.33Å; G95-S98 PolarHBondContact O-N 3.36Å; G95-F99 PolarHBondContact O-N 3.29Å
96	M	93.8	Very high	91.8	Very high	38 Å²	38	58.3 Å²	58.3	19%	0.187	29%	0.293	C	S	.	.	H	α-helix	trans	-65	-39.7	177.9	-164.7	65.7	-166.1	0	0	112.6	A92 S98 F99 F100 A127	A92-M96 PolarHBondContact O-N 3.34Å; M96-S98 VanDerWaalsContact C-N 3.33Å; M96-S98 PolarHBondContact O-N 3.16Å; M96-F99 HydrophobicContact CE-CD1 3.69Å; M96-F99 HydrophobicContact CE-CE1 3.96Å; M96-F99 WeakPolarHBondContact O-CB 3.22Å; M96-F99 PolarHBondContact O-N 3.29Å; M96-F99 HydrophobicContact SD-CD1 4.12Å; M96-F100 HydrophobicContact CE-CD2 4.02Å; M96-F100 HydrophobicContact CE-CE1 3.9Å; M96-F100 HydrophobicContact CE-CE2 3.29Å; M96-F100 HydrophobicContact CE-CZ 3.22Å; M96-F100 HydrophobicContact CG-CD2 3.91Å; M96-F100 HydrophobicContact CG-CE2 3.57Å; M96-F100 HydrophobicContact CG-CZ 4.47Å; M96-F100 WeakPolarHBondContact O-CD2 3.43Å; M96-F100 PolarHBondContact O-N 3.19Å; M96-F100 HydrophobicContact SD-CE2 4.25Å; M96-A127 HydrophobicContact CE-CB 3.8Å; M96-A127 HydrophobicContact SD-CB 4.4Å
97	K	94.9	Very high	91.4	Very high	125 Å²	125	59.2 Å²	59.2	54%	0.543	30%	0.297	S	S	.	.	H	α-helix	trans	-58.4	-46.3	172.7	-178.1	-173.9	174.7	-172.3	0	111.3	S93 L94 G95 F99 F100 D101	S93-K97 WeakPolarHBondContact O-CB 3.48Å; S93-K97 PolarHBondContact O-N 3.49Å; L94-K97 PolarHBondContact O-N 2.97Å; G95-K97 PolarHBondContact O-N 3.3Å; K97-F99 VanDerWaalsContact C-N 3.33Å; K97-F99 PolarHBondContact O-N 2.78Å; K97-F100 PolarHBondContact O-N 2.99Å; K97-D101 WeakPolarHBondContact O-CB 3.39Å; K97-D101 PolarHBondContact O-N 3.28Å
98	S	93.4	Very high	90.7	Very high	8 Å²	8	61.5 Å²	61.5	6%	0.056	31%	0.306	C	S	.	.	H	α-helix	trans	-62.7	-40.5	179.2	-64.2	0	0	0	0	112	D87 L94 G95 M96 D101 I102	D87-S98 PolarHBondContact O-OG 3Å; D87-S98 VanDerWaalsContact O-OG 3.11Å; L94-S98 WeakPolarHBondContact O-CB 3.49Å; L94-S98 PolarHBondContact O-N 2.84Å; L94-S98 PolarHBondContact O-OG 2.9Å; G95-S98 WeakPolarHBondContact O-CB 3.33Å; G95-S98 PolarHBondContact O-N 3.36Å; M96-S98 VanDerWaalsContact C-N 3.33Å; M96-S98 PolarHBondContact O-N 3.16Å; S98-D101 PolarHBondContact O-N 2.6Å; S98-I102 WeakPolarHBondContact O-CD1 3.19Å; S98-I102 VanDerWaalsContact O-CG1 3.26Å; S98-I102 WeakPolarHBondContact O-CG1 3.21Å; S98-I102 PolarHBondContact O-N 3.02Å
99	F	93.8	Very high	90.4	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-59.7	-50.1	172.6	169.9	-99.1	0	0	0	111.7	M41 G95 M96 K97 D101 I102 I103 L112 V124 A127 W131	M41-F99 HydrophobicContact CE-CB 4.36Å; G95-F99 PolarHBondContact O-N 3.29Å; M96-F99 HydrophobicContact CE-CD1 3.69Å; M96-F99 HydrophobicContact CE-CE1 3.96Å; M96-F99 WeakPolarHBondContact O-CB 3.22Å; M96-F99 PolarHBondContact O-N 3.29Å; M96-F99 HydrophobicContact SD-CD1 4.12Å; K97-F99 VanDerWaalsContact C-N 3.33Å; K97-F99 PolarHBondContact O-N 2.78Å; F99-D101 VanDerWaalsContact C-N 3.33Å; F99-D101 PolarHBondContact O-N 3.41Å; F99-I102 PolarHBondContact O-N 3.05Å; F99-I103 HydrophobicContact CD2-CG1 4.02Å; F99-I103 HydrophobicContact CE1-CG1 4.2Å; F99-I103 HydrophobicContact CE2-CD1 4.13Å; F99-I103 HydrophobicContact CE2-CG1 3.69Å; F99-I103 HydrophobicContact CG-CG1 4.44Å; F99-I103 HydrophobicContact CZ-CD1 4.4Å; F99-I103 HydrophobicContact CZ-CG1 3.79Å; F99-I103 WeakPolarHBondContact O-CB 3.48Å; F99-I103 WeakPolarHBondContact O-CG1 3.3Å; F99-I103 PolarHBondContact O-N 3.36Å; F99-L112 HydrophobicContact CD2-CD1 3.54Å; F99-L112 HydrophobicContact CE2-CD1 3.56Å; F99-V124 HydrophobicContact CB-CG1 4.38Å; F99-V124 HydrophobicContact CB-CG2 4.14Å; F99-V124 HydrophobicContact CD2-CG1 3.75Å; F99-V124 HydrophobicContact CE2-CG1 4.35Å; F99-V124 HydrophobicContact CG-CG1 4.26Å; F99-A127 HydrophobicContact CD1-CB 4.47Å; F99-A127 HydrophobicContact CE1-CB 3.83Å; F99-A127 HydrophobicContact CZ-CB 4Å; F99-W131 HydrophobicContact CE1-CD2 4.42Å; F99-W131 AromaticContact CE1-CE3 3.89Å; F99-W131 HydrophobicContact CE1-CE3 3.89Å; F99-W131 HydrophobicContact CE1-CH2 4.38Å; F99-W131 AromaticContact CE1-CZ3 3.87Å; F99-W131 HydrophobicContact CE1-CZ3 3.87Å; F99-W131 HydrophobicContact CZ-CD2 4.16Å; F99-W131 AromaticContact CZ-CE3 3.7Å; F99-W131 HydrophobicContact CZ-CE3 3.7Å; F99-W131 HydrophobicContact CZ-CZ3 4.15Å
100	F	93.6	Very high	90	Very high	82 Å²	82	58.7 Å²	58.7	36%	0.36	29%	0.293	S	S	.	.	H	α-helix	trans	-62.4	-38.7	177.3	-76.6	-56.1	0	0	0	112.9	M96 K97 I102 N104 W131	M96-F100 HydrophobicContact CE-CD2 4.02Å; M96-F100 HydrophobicContact CE-CE1 3.9Å; M96-F100 HydrophobicContact CE-CE2 3.29Å; M96-F100 HydrophobicContact CE-CZ 3.22Å; M96-F100 HydrophobicContact CG-CD2 3.91Å; M96-F100 HydrophobicContact CG-CE2 3.57Å; M96-F100 HydrophobicContact CG-CZ 4.47Å; M96-F100 WeakPolarHBondContact O-CD2 3.43Å; M96-F100 PolarHBondContact O-N 3.19Å; M96-F100 HydrophobicContact SD-CE2 4.25Å; K97-F100 PolarHBondContact O-N 2.99Å; F100-I102 VanDerWaalsContact C-N 3.32Å; F100-I102 PolarHBondContact O-N 2.65Å; F100-N104 VanDerWaalsContact O-CB 3.24Å; F100-N104 WeakPolarHBondContact O-CB 3.43Å; F100-N104 VanDerWaalsContact O-CG 3.31Å; F100-N104 PolarHBondContact O-N 2.95Å; F100-N104 PolarHBondContact O-ND2 3.14Å; F100-N104 VanDerWaalsContact O-ND2 3.08Å; F100-W131 AromaticContact CE1-CH2 3.81Å; F100-W131 HydrophobicContact CE1-CH2 3.81Å; F100-W131 HydrophobicContact CE1-CZ2 4.15Å
101	D	93.9	Very high	90	Very high	67 Å²	67	58.3 Å²	58.3	36%	0.358	29%	0.291	S	S	.	.	H	α-helix	trans	-61.5	-39.3	174.8	-86.1	12.9	0	0	0	112.2	K86 K97 S98 F99 D105	K86-D101 HydrophobicContact CD-CB 4.41Å; K86-D101 IonicContact NZ-OD2 3.67Å; K86-D101 PolarHBondContact NZ-OD2 2.99Å; K97-D101 WeakPolarHBondContact O-CB 3.39Å; K97-D101 PolarHBondContact O-N 3.28Å; S98-D101 PolarHBondContact O-N 2.6Å; F99-D101 VanDerWaalsContact C-N 3.33Å; F99-D101 PolarHBondContact O-N 3.41Å; D101-D105 PolarHBondContact O-N 3.2Å
102	I	92.8	Very high	90	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-69.8	-50.4	178.3	-73.2	164.9	0	0	0	110.2	M41 K86 S98 F99 F100 N104 D105 I109 L112	M41-I102 HydrophobicContact CG-CD1 3.87Å; K86-I102 HydrophobicContact CB-CD1 4.16Å; K86-I102 HydrophobicContact CB-CG1 4.45Å; K86-I102 HydrophobicContact CG-CD1 3.95Å; K86-I102 HydrophobicContact CG-CG1 3.7Å; S98-I102 WeakPolarHBondContact O-CD1 3.19Å; S98-I102 VanDerWaalsContact O-CG1 3.26Å; S98-I102 WeakPolarHBondContact O-CG1 3.21Å; S98-I102 PolarHBondContact O-N 3.02Å; F99-I102 PolarHBondContact O-N 3.05Å; F100-I102 VanDerWaalsContact C-N 3.32Å; F100-I102 PolarHBondContact O-N 2.65Å; I102-N104 VanDerWaalsContact C-N 3.29Å; I102-N104 PolarHBondContact O-N 3.36Å; I102-D105 WeakPolarHBondContact O-CB 3.41Å; I102-D105 PolarHBondContact O-N 3.38Å; I102-D105 VanDerWaalsContact O-N 3.12Å; I102-I109 HydrophobicContact CG2-CD1 4.15Å; I102-I109 HydrophobicContact CG2-CG1 3.88Å; I102-I109 HydrophobicContact CG2-CG2 4Å; I102-I109 WeakPolarHBondContact O-CG1 3.45Å; I102-L112 HydrophobicContact CD1-CD2 4.48Å; I102-L112 HydrophobicContact CG2-CD2 3.7Å
103	I	89.2	Confident	90.1	Very high	26 Å²	26	51.3 Å²	51.3	13%	0.133	25%	0.254	C	S	.	.	H	α-helix	trans	-67.5	-30.8	-175.1	-68.9	-63.7	0	0	0	112.2	F99 W131 K133	F99-I103 HydrophobicContact CD2-CG1 4.02Å; F99-I103 HydrophobicContact CE1-CG1 4.2Å; F99-I103 HydrophobicContact CE2-CD1 4.13Å; F99-I103 HydrophobicContact CE2-CG1 3.69Å; F99-I103 HydrophobicContact CG-CG1 4.44Å; F99-I103 HydrophobicContact CZ-CD1 4.4Å; F99-I103 HydrophobicContact CZ-CG1 3.79Å; F99-I103 WeakPolarHBondContact O-CB 3.48Å; F99-I103 WeakPolarHBondContact O-CG1 3.3Å; F99-I103 PolarHBondContact O-N 3.36Å; I103-W131 HydrophobicContact CD1-CB 4.44Å; I103-W131 HydrophobicContact CG2-CD2 4.24Å; I103-W131 HydrophobicContact CG2-CG 3.89Å; I103-W131 VanDerWaalsContact CG2-NE1 3.28Å; I103-K133 HydrophobicContact CD1-CG 4.03Å
104	N	89.6	Confident	89.9	Confident	124 Å²	124	47 Å²	47	66%	0.663	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	1.9	175.2	-67.2	-38.1	0	0	0	113.7	F100 I102	F100-N104 VanDerWaalsContact O-CB 3.24Å; F100-N104 WeakPolarHBondContact O-CB 3.43Å; F100-N104 VanDerWaalsContact O-CG 3.31Å; F100-N104 PolarHBondContact O-N 2.95Å; F100-N104 PolarHBondContact O-ND2 3.14Å; F100-N104 VanDerWaalsContact O-ND2 3.08Å; I102-N104 VanDerWaalsContact C-N 3.29Å; I102-N104 PolarHBondContact O-N 3.36Å
105	D	87.7	Confident	89.4	Confident	47 Å²	47	44.8 Å²	44.8	25%	0.251	21%	0.212	S	C	.	.	S	Bend	trans	-62.9	143.3	171.9	-165.1	-43.2	0	0	0	108.8	D101 I102 K107	D101-D105 PolarHBondContact O-N 3.2Å; I102-D105 WeakPolarHBondContact O-CB 3.41Å; I102-D105 PolarHBondContact O-N 3.38Å; I102-D105 VanDerWaalsContact O-N 3.12Å; D105-K107 PolarHBondContact O-N 2.9Å; D105-K107 WeakPolarHBondContact OD1-CD 3.19Å; D105-K107 WeakPolarHBondContact OD1-CG 3.4Å; D105-K107 PolarHBondContact OD1-N 2.93Å; D105-K107 IonicContact OD1-NZ 3.63Å; D105-K107 IonicContact OD2-NZ 3.42Å; D105-K107 PolarHBondContact OD2-NZ 2.89Å
106	K	83	Confident	89.2	Confident	214 Å²	214	44.8 Å²	44.8	93%	0.93	21%	0.213	S	C	*	.	S	Bend	trans	-66.4	-16.7	178	-66.1	-176.6	178.3	-178.2	0	112.4
107	K	85.3	Confident	89	Confident	84 Å²	84	43 Å²	43	37%	0.365	20%	0.204	S	C	.	.	S	Bend	trans	-77	135.5	175.6	-64.1	159.5	-163.3	138.8	0	109.6	Y37 I84 D105 I109	Y37-K107 HydrophobicContact CD1-CB 4.27Å; Y37-K107 HydrophobicContact CD1-CD 3.77Å; Y37-K107 HydrophobicContact CD1-CG 4.31Å; Y37-K107 HydrophobicContact CD2-CB 3.63Å; Y37-K107 HydrophobicContact CD2-CD 4.46Å; Y37-K107 HydrophobicContact CD2-CG 4.12Å; Y37-K107 HydrophobicContact CE1-CB 4.48Å; Y37-K107 HydrophobicContact CE1-CD 3.58Å; Y37-K107 HydrophobicContact CE1-CG 4.07Å; Y37-K107 HydrophobicContact CE2-CB 3.85Å; Y37-K107 HydrophobicContact CE2-CD 4.28Å; Y37-K107 HydrophobicContact CE2-CG 3.84Å; Y37-K107 HydrophobicContact CG-CB 3.83Å; Y37-K107 HydrophobicContact CG-CD 4.19Å; Y37-K107 HydrophobicContact CG-CG 4.32Å; I84-K107 HydrophobicContact CD1-CB 4.21Å; I84-K107 HydrophobicContact CD1-CD 3.5Å; D105-K107 PolarHBondContact O-N 2.9Å; D105-K107 WeakPolarHBondContact OD1-CD 3.19Å; D105-K107 WeakPolarHBondContact OD1-CG 3.4Å; D105-K107 PolarHBondContact OD1-N 2.93Å; D105-K107 IonicContact OD1-NZ 3.63Å; D105-K107 IonicContact OD2-NZ 3.42Å; D105-K107 PolarHBondContact OD2-NZ 2.89Å; K107-I109 PolarHBondContact O-N 2.77Å
108	Q	78.8	Confident	88.9	Confident	107 Å²	107	38.2 Å²	38.2	50%	0.5	19%	0.185	S	C	.	.			trans	-69.1	103.7	177.1	-72.1	178.9	-32.5	0	0	110.6	P366	Q108-P366 HydrophobicContact CB-CB 4.11Å; Q108-P366 HydrophobicContact CB-CG 3.86Å; Q108-P366 HydrophobicContact CG-CG 3.95Å
109	I	86.4	Confident	88.7	Confident	7 Å²	7	40 Å²	40	4%	0.036	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	125.5	177	-51.1	-58.3	0	0	0	109.5	Y37 I84 I102 K107 A111 L112 K133	Y37-I109 CarbonylContact O-C 3.43Å; Y37-I109 WeakPolarHBondContact O-CA 3.24Å; I84-I109 HydrophobicContact CD1-CD1 3.48Å; I84-I109 VanDerWaalsContact CD1-CD1 3.48Å; I84-I109 HydrophobicContact CG1-CD1 4.34Å; I102-I109 HydrophobicContact CG2-CD1 4.15Å; I102-I109 HydrophobicContact CG2-CG1 3.88Å; I102-I109 HydrophobicContact CG2-CG2 4Å; I102-I109 WeakPolarHBondContact O-CG1 3.45Å; K107-I109 PolarHBondContact O-N 2.77Å; I109-A111 WeakPolarHBondContact CG2-O 3.23Å; I109-L112 HydrophobicContact CG2-CD2 4.37Å; I109-K133 WeakPolarHBondContact O-CE 3.48Å; I109-K133 PolarHBondContact O-NZ 3.04Å
110	V	82.3	Confident	88.6	Confident	7 Å²	7	40.1 Å²	40.1	4%	0.042	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-32.5	-174.1	-55.3	0	0	0	0	112.5	Y37 V38 F354 F364	Y37-V110 WeakPolarHBondContact O-CG2 3.36Å; Y37-V110 PolarHBondContact O-N 3.15Å; V38-V110 HydrophobicContact CG2-CG2 3.82Å; V110-F354 HydrophobicContact CB-CE1 3.73Å; V110-F354 HydrophobicContact CB-CE2 4.03Å; V110-F354 HydrophobicContact CB-CZ 3.24Å; V110-F354 HydrophobicContact CG1-CE1 4.43Å; V110-F354 HydrophobicContact CG1-CZ 4.33Å; V110-F354 HydrophobicContact CG2-CD2 4.34Å; V110-F354 HydrophobicContact CG2-CE1 3.91Å; V110-F354 HydrophobicContact CG2-CE2 3.32Å; V110-F354 HydrophobicContact CG2-CZ 3.09Å; V110-F364 HydrophobicContact CB-CE1 4.15Å; V110-F364 HydrophobicContact CB-CZ 4.45Å; V110-F364 HydrophobicContact CG1-CE1 4Å
111	A	88.4	Confident	88.6	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.008	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	164.5	176.8	0	0	0	0	0	110.4	V38 G39 I109 I350 F354 L371	V38-A111 WeakPolarHBondContact CA-O 3.47Å; V38-A111 WeakPolarHBondContact CG1-O 3.39Å; G39-A111 PolarHBondContact N-O 3.33Å; I109-A111 WeakPolarHBondContact CG2-O 3.23Å; A111-I350 HydrophobicContact CB-CG2 4.47Å; A111-F354 HydrophobicContact CB-CE2 4.44Å; A111-L371 HydrophobicContact CB-CD1 4.46Å
112	L	92.2	Very high	88.5	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	134.4	168.4	-63.5	178.5	0	0	0	109.9	G39 F99 I102 I109 V124 T128 V134 Q135 L136	G39-L112 CarbonylContact O-C 3.55Å; G39-L112 WeakPolarHBondContact O-CA 3.16Å; F99-L112 HydrophobicContact CD2-CD1 3.54Å; F99-L112 HydrophobicContact CE2-CD1 3.56Å; I102-L112 HydrophobicContact CD1-CD2 4.48Å; I102-L112 HydrophobicContact CG2-CD2 3.7Å; I109-L112 HydrophobicContact CG2-CD2 4.37Å; L112-V124 HydrophobicContact CD1-CG1 4.24Å; L112-T128 HydrophobicContact CD1-CG2 4.07Å; L112-V134 PolarHBondContact N-O 3.23Å; L112-Q135 HydrophobicContact CB-CB 4.25Å; L112-Q135 HydrophobicContact CB-CG 4.27Å; L112-Q135 CarbonylContact O-C 3.49Å; L112-Q135 WeakPolarHBondContact O-CA 3.31Å; L112-L136 PolarHBondContact O-N 2.92Å
113	F	93.7	Very high	88.5	Confident	1 Å²	1	39.6 Å²	39.6	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	127.8	177.2	-178.5	-114.5	0	0	0	110.4	V38 G39 A40 M41 F42 L136 Y138 T343 L347 I350	V38-F113 HydrophobicContact CG1-CB 3.64Å; G39-F113 PolarHBondContact O-N 3.34Å; A40-F113 CarbonylContact C-O 3.59Å; A40-F113 VanDerWaalsContact CA-O 3.27Å; A40-F113 WeakPolarHBondContact CA-O 3.31Å; M41-F113 PolarHBondContact N-O 3.24Å; F42-F113 HydrophobicContact CZ-CD1 4.31Å; F42-F113 HydrophobicContact CZ-CE1 4.1Å; F113-L136 HydrophobicContact CD2-CB 4.25Å; F113-L136 HydrophobicContact CD2-CD2 4.27Å; F113-L136 HydrophobicContact CD2-CG 4.38Å; F113-L136 WeakPolarHBondContact CD2-O 3.36Å; F113-L136 HydrophobicContact CE2-CD2 4.35Å; F113-Y138 HydrophobicContact CE1-CD1 4.25Å; F113-Y138 HydrophobicContact CZ-CD1 4.12Å; F113-T343 HydrophobicContact CE1-CG2 3.82Å; F113-T343 HydrophobicContact CZ-CG2 3.97Å; F113-T343 WeakPolarHBondContact CZ-O 3.15Å; F113-L347 HydrophobicContact CD1-CD2 3.52Å; F113-L347 HydrophobicContact CD1-CG 4.08Å; F113-L347 HydrophobicContact CD2-CD2 4.4Å; F113-L347 HydrophobicContact CE1-CD1 4.2Å; F113-L347 HydrophobicContact CE1-CD2 3.65Å; F113-L347 HydrophobicContact CE1-CG 3.65Å; F113-L347 HydrophobicContact CG-CD2 3.9Å; F113-L347 HydrophobicContact CZ-CD2 4.16Å; F113-L347 HydrophobicContact CZ-CG 3.89Å; F113-I350 HydrophobicContact CB-CD1 3.75Å; F113-I350 HydrophobicContact CD2-CD1 3.67Å; F113-I350 HydrophobicContact CG-CD1 3.97Å
114	G	89	Confident	88.7	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	109.2	-157.5	173.3	0	0	0	0	0	115.1	Q135 L136	G114-Q135 PolarHBondContact O-NE2 2.94Å; G114-L136 PolarHBondContact N-O 2.6Å
115	G	84.2	Confident	88.7	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.01	16%	0.161	C	C	.	.			trans	88.6	103.3	-164.5	0	0	0	0	0	111.9	M41 N121 S137	M41-G115 PolarHBondContact O-N 2.93Å; G115-N121 VanDerWaalsContact C-ND2 3.34Å; G115-N121 VanDerWaalsContact CA-OD1 3.23Å; G115-N121 WeakPolarHBondContact CA-OD1 3.12Å; G115-N121 PolarHBondContact O-ND2 3.28Å; G115-N121 PolarHBondContact O-OD1 3Å; G115-S137 PolarHBondContact O-OG 3.23Å
116	A	87.5	Confident	88.8	Confident	1 Å²	1	33 Å²	33	1%	0.008	16%	0.163	C	C	.	.			trans	-87.1	-34.1	174.5	0	0	0	0	0	112.5	T43 F50 Y138 A139	T43-A116 HydrophobicContact CG2-CB 4.29Å; F50-A116 WeakPolarHBondContact CD1-O 3.3Å; F50-A116 WeakPolarHBondContact CE1-O 3.29Å; F50-A116 WeakPolarHBondContact CE2-O 3.23Å; F50-A116 WeakPolarHBondContact CZ-O 3.48Å; A116-Y138 HydrophobicContact CB-CE2 4.02Å; A116-A139 HydrophobicContact CB-CB 3.97Å
117	C	90.2	Very high	89.2	Confident	1 Å²	1	23.3 Å²	23.3	1%	0.007	12%	0.123	C	C	.	.			trans	-98.1	130.6	-166.8	-72.4	0	0	0	0	113.1	F50 C90 A119 T120 N121	F50-C117 HydrophobicContact CE2-CB 4.46Å; C90-C117 HydrophobicContact CB-CB 3.5Å; C90-C117 WeakPolarHBondContact CB-SG 3.27Å; C90-C117 WeakPolarHBondContact SG-CB 3.46Å; C90-C117 CovalentContact SG-SG 2.01Å; C90-C117 PolarHBondContact SG-SG 3.06Å; C117-A119 PolarHBondContact O-N 3.38Å; C117-T120 WeakPolarHBondContact O-CB 3.25Å; C117-T120 PolarHBondContact O-N 3.49Å; C117-N121 PolarHBondContact O-N 2.93Å; C117-N121 PolarHBondContact O-ND2 3.48Å
118	T	90.8	Very high	89.3	Confident	24 Å²	24	19.3 Å²	19.3	15%	0.147	11%	0.106	C	C	.	.	H	α-helix	trans	-56.2	-44.8	-175.3	-51.3	0	0	0	0	112.7	T120 N121 E122 E140 H142 M144 F145 R193	T118-T120 PolarHBondContact O-N 3.1Å; T118-T120 VanDerWaalsContact O-N 3.13Å; T118-N121 PolarHBondContact O-N 2.99Å; T118-E122 VanDerWaalsContact O-CB 3.28Å; T118-E122 WeakPolarHBondContact O-CB 3.15Å; T118-E122 PolarHBondContact O-N 3.31Å; T118-E140 WeakPolarHBondContact CA-OE2 3.46Å; T118-E140 PolarHBondContact N-OE2 3.25Å; T118-E140 PolarHBondContact OG1-OE1 3.38Å; T118-E140 PolarHBondContact OG1-OE2 3.43Å; T118-E140 VanDerWaalsContact OG1-OE2 3.05Å; T118-H142 HydrophobicContact CG2-CB 4.01Å; T118-M144 HydrophobicContact CG2-CE 4.38Å; T118-F145 HydrophobicContact CG2-CE2 4.12Å; T118-R193 PolarHBondContact OG1-NH2 2.95Å
119	A	89.9	Confident	89.5	Confident	46 Å²	46	18.7 Å²	18.7	38%	0.38	10%	0.101	S	C	.	.	H	α-helix	trans	-61	-25.3	179	0	0	0	0	0	113.9	A92 C117	A92-A119 HydrophobicContact CB-CB 4.45Å; A92-A119 WeakPolarHBondContact CB-O 3.47Å; C117-A119 PolarHBondContact O-N 3.38Å
120	T	92.3	Very high	89.5	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.006	13%	0.134	C	C	.	.	H	α-helix	trans	-86.4	-46.8	175	-62	0	0	0	0	111	M41 T88 C117 T118 E122 L123 V124	M41-T120 HydrophobicContact CE-CG2 4.06Å; T88-T120 HydrophobicContact CG2-CG2 4.01Å; C117-T120 WeakPolarHBondContact O-CB 3.25Å; C117-T120 PolarHBondContact O-N 3.49Å; T118-T120 PolarHBondContact O-N 3.1Å; T118-T120 VanDerWaalsContact O-N 3.13Å; T120-E122 VanDerWaalsContact C-N 3.29Å; T120-E122 PolarHBondContact O-N 3.45Å; T120-L123 PolarHBondContact O-N 3.32Å; T120-V124 HydrophobicContact CG2-CG2 4.11Å; T120-V124 WeakPolarHBondContact O-CB 3.09Å; T120-V124 VanDerWaalsContact O-CG2 3.23Å; T120-V124 WeakPolarHBondContact O-CG2 3.47Å; T120-V124 PolarHBondContact O-N 3.36Å; T120-V124 VanDerWaalsContact O-N 3.07Å
121	N	92.8	Very high	89.6	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-65	-32.3	-177.9	-72.1	-29.9	0	0	0	113.3	G115 C117 T118 G125 Q135 E140 F145 F157	G115-N121 VanDerWaalsContact C-ND2 3.34Å; G115-N121 VanDerWaalsContact CA-OD1 3.23Å; G115-N121 WeakPolarHBondContact CA-OD1 3.12Å; G115-N121 PolarHBondContact O-ND2 3.28Å; G115-N121 PolarHBondContact O-OD1 3Å; C117-N121 PolarHBondContact O-N 2.93Å; C117-N121 PolarHBondContact O-ND2 3.48Å; T118-N121 PolarHBondContact O-N 2.99Å; N121-G125 WeakPolarHBondContact O-CA 3.38Å; N121-G125 PolarHBondContact O-N 3.31Å; N121-Q135 PolarHBondContact OD1-NE2 3.42Å; N121-E140 HydrophobicContact CB-CG 4.48Å; N121-E140 WeakPolarHBondContact ND2-CB 3.48Å; N121-E140 PolarHBondContact ND2-OE2 2.89Å; N121-F145 HydrophobicContact CB-CE1 4.36Å; N121-F145 HydrophobicContact CB-CE2 4.37Å; N121-F145 HydrophobicContact CB-CZ 3.69Å; N121-F157 HydrophobicContact CB-CE2 4.13Å
122	E	92.3	Very high	89.3	Confident	72 Å²	72	36.1 Å²	36.1	34%	0.336	17%	0.171	S	C	.	.	H	α-helix	trans	-58.5	-53.7	176.1	177.8	174.8	-173.5	0	0	111	T118 T120 M126 M144 Y154	T118-E122 VanDerWaalsContact O-CB 3.28Å; T118-E122 WeakPolarHBondContact O-CB 3.15Å; T118-E122 PolarHBondContact O-N 3.31Å; T120-E122 VanDerWaalsContact C-N 3.29Å; T120-E122 PolarHBondContact O-N 3.45Å; E122-M126 HydrophobicContact CG-CE 3.84Å; E122-M126 VanDerWaalsContact O-CE 3.25Å; E122-M126 WeakPolarHBondContact O-CE 3.4Å; E122-M126 WeakPolarHBondContact O-CG 3.35Å; E122-M126 PolarHBondContact O-N 2.94Å; E122-M144 HydrophobicContact CB-CE 4.06Å; E122-M144 HydrophobicContact CG-CE 3.84Å; E122-Y154 WeakPolarHBondContact O-CE1 3.14Å
123	L	92.8	Very high	88.9	Confident	67 Å²	67	36.8 Å²	36.8	35%	0.351	17%	0.174	S	C	.	.	H	α-helix	trans	-69.8	-43.2	-179.5	-62.8	-175.3	0	0	0	112.5	A92 T120 M126 A127	A92-L123 HydrophobicContact CB-CD1 3.75Å; T120-L123 PolarHBondContact O-N 3.32Å; L123-M126 HydrophobicContact CD2-CE 4.12Å; L123-A127 WeakPolarHBondContact O-CB 3.28Å; L123-A127 PolarHBondContact O-N 3.32Å; L123-A127 VanDerWaalsContact O-N 3.15Å
124	V	93	Very high	88.6	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-68.7	-43.1	-177.5	177.3	0	0	0	0	110.8	M41 F99 L112 T120 M126 A127 T128	M41-V124 HydrophobicContact CE-CG1 4.45Å; M41-V124 HydrophobicContact CE-CG2 3.76Å; M41-V124 HydrophobicContact SD-CG1 3.93Å; M41-V124 HydrophobicContact SD-CG2 4.32Å; F99-V124 HydrophobicContact CB-CG1 4.38Å; F99-V124 HydrophobicContact CB-CG2 4.14Å; F99-V124 HydrophobicContact CD2-CG1 3.75Å; F99-V124 HydrophobicContact CE2-CG1 4.35Å; F99-V124 HydrophobicContact CG-CG1 4.26Å; L112-V124 HydrophobicContact CD1-CG1 4.24Å; T120-V124 HydrophobicContact CG2-CG2 4.11Å; T120-V124 WeakPolarHBondContact O-CB 3.09Å; T120-V124 VanDerWaalsContact O-CG2 3.23Å; T120-V124 WeakPolarHBondContact O-CG2 3.47Å; T120-V124 PolarHBondContact O-N 3.36Å; T120-V124 VanDerWaalsContact O-N 3.07Å; V124-M126 PolarHBondContact O-N 3.33Å; V124-A127 PolarHBondContact O-N 2.97Å; V124-A127 VanDerWaalsContact O-N 3.12Å; V124-T128 WeakPolarHBondContact O-CB 3.35Å; V124-T128 PolarHBondContact O-N 3.29Å; V124-T128 PolarHBondContact O-OG1 3.39Å
125	G	90.1	Very high	88.6	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.5	-40.3	-179.8	0	0	0	0	0	112.6	N121	N121-G125 WeakPolarHBondContact O-CA 3.38Å; N121-G125 PolarHBondContact O-N 3.31Å
126	M	90.5	Very high	89	Confident	59 Å²	59	36.9 Å²	36.9	29%	0.291	17%	0.174	S	C	.	.	H	α-helix	trans	-63.8	-41.4	172.4	-75.8	-172	-78.8	0	0	112.3	E122 L123 V124 Y130 L153 Y154	E122-M126 HydrophobicContact CG-CE 3.84Å; E122-M126 VanDerWaalsContact O-CE 3.25Å; E122-M126 WeakPolarHBondContact O-CE 3.4Å; E122-M126 WeakPolarHBondContact O-CG 3.35Å; E122-M126 PolarHBondContact O-N 2.94Å; L123-M126 HydrophobicContact CD2-CE 4.12Å; V124-M126 PolarHBondContact O-N 3.33Å; M126-Y130 WeakPolarHBondContact O-CD2 3.42Å; M126-Y130 WeakPolarHBondContact O-CE2 3.32Å; M126-L153 HydrophobicContact CG-CB 4.45Å; M126-Y154 HydrophobicContact CG-CD1 4.08Å; M126-Y154 HydrophobicContact CG-CE1 3.54Å
127	A	91.1	Very high	89.3	Confident	10 Å²	10	36.9 Å²	36.9	8%	0.083	17%	0.174	C	C	.	.	H	α-helix	trans	-71.7	-38.4	-178.2	0	0	0	0	0	112.8	M96 F99 L123 V124 K129 Y130 W131	M96-A127 HydrophobicContact CE-CB 3.8Å; M96-A127 HydrophobicContact SD-CB 4.4Å; F99-A127 HydrophobicContact CD1-CB 4.47Å; F99-A127 HydrophobicContact CE1-CB 3.83Å; F99-A127 HydrophobicContact CZ-CB 4Å; L123-A127 WeakPolarHBondContact O-CB 3.28Å; L123-A127 PolarHBondContact O-N 3.32Å; L123-A127 VanDerWaalsContact O-N 3.15Å; V124-A127 PolarHBondContact O-N 2.97Å; V124-A127 VanDerWaalsContact O-N 3.12Å; A127-K129 PolarHBondContact O-N 3.22Å; A127-K129 VanDerWaalsContact O-N 3.12Å; A127-Y130 WeakPolarHBondContact O-CB 3.4Å; A127-Y130 PolarHBondContact O-N 3.49Å; A127-W131 HydrophobicContact CB-CZ3 4.33Å
128	T	87.5	Confident	89.2	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-56.3	-35.2	-171	-59.8	0	0	0	0	112.6	L112 V124 Y130 W131 H132 K133 Q135	L112-T128 HydrophobicContact CD1-CG2 4.07Å; V124-T128 WeakPolarHBondContact O-CB 3.35Å; V124-T128 PolarHBondContact O-N 3.29Å; V124-T128 PolarHBondContact O-OG1 3.39Å; T128-Y130 VanDerWaalsContact C-N 3.26Å; T128-Y130 PolarHBondContact O-N 2.87Å; T128-W131 PolarHBondContact O-N 3.01Å; T128-W131 VanDerWaalsContact O-N 3.14Å; T128-H132 PolarHBondContact O-N 3.06Å; T128-K133 HydrophobicContact CG2-CB 3.62Å; T128-K133 WeakPolarHBondContact CG2-O 3.26Å; T128-K133 PolarHBondContact O-N 3.3Å; T128-Q135 HydrophobicContact CG2-CB 4.21Å
129	K	82.3	Confident	89.2	Confident	93 Å²	93	35.7 Å²	35.7	40%	0.404	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-54.6	-38.8	175.7	-175.6	-178.2	-176.8	178.2	0	113	A127 W131 H132 D152 T156	A127-K129 PolarHBondContact O-N 3.22Å; A127-K129 VanDerWaalsContact O-N 3.12Å; K129-W131 VanDerWaalsContact C-N 3.31Å; K129-W131 PolarHBondContact O-N 3.49Å; K129-H132 PolarHBondContact O-N 3.17Å; K129-D152 PolarHBondContact NZ-O 3.28Å; K129-T156 HydrophobicContact CB-CG2 4.38Å; K129-T156 PolarHBondContact N-OG1 2.92Å
130	Y	85.8	Confident	89.2	Confident	184 Å²	184	33.5 Å²	33.5	72%	0.722	15%	0.148	S	C	*	.	G	3₁₀ helix	trans	-75.4	-18	-176.8	-64.1	-80.4	0	0	0	113.7	M126 A127 T128	M126-Y130 WeakPolarHBondContact O-CD2 3.42Å; M126-Y130 WeakPolarHBondContact O-CE2 3.32Å; A127-Y130 WeakPolarHBondContact O-CB 3.4Å; A127-Y130 PolarHBondContact O-N 3.49Å; T128-Y130 VanDerWaalsContact C-N 3.26Å; T128-Y130 PolarHBondContact O-N 2.87Å
131	W	84.9	Confident	89	Confident	99 Å²	99	34 Å²	34	38%	0.375	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-100.6	8.8	174.7	-83.8	-88.8	0	0	0	113.4	F99 F100 I103 A127 T128 K129 K133	F99-W131 HydrophobicContact CE1-CD2 4.42Å; F99-W131 AromaticContact CE1-CE3 3.89Å; F99-W131 HydrophobicContact CE1-CE3 3.89Å; F99-W131 HydrophobicContact CE1-CH2 4.38Å; F99-W131 AromaticContact CE1-CZ3 3.87Å; F99-W131 HydrophobicContact CE1-CZ3 3.87Å; F99-W131 HydrophobicContact CZ-CD2 4.16Å; F99-W131 AromaticContact CZ-CE3 3.7Å; F99-W131 HydrophobicContact CZ-CE3 3.7Å; F99-W131 HydrophobicContact CZ-CZ3 4.15Å; F100-W131 AromaticContact CE1-CH2 3.81Å; F100-W131 HydrophobicContact CE1-CH2 3.81Å; F100-W131 HydrophobicContact CE1-CZ2 4.15Å; I103-W131 HydrophobicContact CD1-CB 4.44Å; I103-W131 HydrophobicContact CG2-CD2 4.24Å; I103-W131 HydrophobicContact CG2-CG 3.89Å; I103-W131 VanDerWaalsContact CG2-NE1 3.28Å; A127-W131 HydrophobicContact CB-CZ3 4.33Å; T128-W131 PolarHBondContact O-N 3.01Å; T128-W131 VanDerWaalsContact O-N 3.14Å; K129-W131 VanDerWaalsContact C-N 3.31Å; K129-W131 PolarHBondContact O-N 3.49Å; W131-K133 VanDerWaalsContact C-N 3.25Å; W131-K133 HydrophobicContact CB-CG 4.17Å; W131-K133 WeakPolarHBondContact O-CE 3.31Å; W131-K133 PolarHBondContact O-N 2.78Å
132	H	81.2	Confident	88.8	Confident	98 Å²	98	34.4 Å²	34.4	45%	0.454	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	44	-177	-59.1	-72	0	0	0	112.8	T128 K129 L370	T128-H132 PolarHBondContact O-N 3.06Å; K129-H132 PolarHBondContact O-N 3.17Å; H132-L370 HydrophobicContact CB-CD1 3.71Å
133	K	84.8	Confident	88.7	Confident	15 Å²	15	31.1 Å²	31.1	7%	0.065	14%	0.138	C	C	.	.			trans	-111.3	158.9	174.3	-55.9	-57.8	167.3	-175.2	0	110.5	I103 I109 T128 W131 T156 P366	I103-K133 HydrophobicContact CD1-CG 4.03Å; I109-K133 WeakPolarHBondContact O-CE 3.48Å; I109-K133 PolarHBondContact O-NZ 3.04Å; T128-K133 HydrophobicContact CG2-CB 3.62Å; T128-K133 WeakPolarHBondContact CG2-O 3.26Å; T128-K133 PolarHBondContact O-N 3.3Å; W131-K133 VanDerWaalsContact C-N 3.25Å; W131-K133 HydrophobicContact CB-CG 4.17Å; W131-K133 WeakPolarHBondContact O-CE 3.31Å; W131-K133 PolarHBondContact O-N 2.78Å; K133-T156 WeakPolarHBondContact O-CB 3.46Å; K133-T156 WeakPolarHBondContact O-CG2 3.42Å; K133-P366 PolarHBondContact NZ-O 3.21Å
134	V	86.7	Confident	88.5	Confident	3 Å²	3	29.8 Å²	29.8	2%	0.018	13%	0.13	C	C	.	.			trans	-103.9	134.3	168.9	173.6	0	0	0	0	108.3	L112 Y158 L371 F376	L112-V134 PolarHBondContact N-O 3.23Å; V134-Y158 HydrophobicContact CG1-CD2 3.6Å; V134-Y158 HydrophobicContact CG1-CE2 4.04Å; V134-Y158 HydrophobicContact CG1-CG 4.47Å; V134-L371 HydrophobicContact CG2-CB 4.07Å; V134-F376 HydrophobicContact CB-CE2 4.09Å; V134-F376 HydrophobicContact CB-CZ 4.5Å; V134-F376 HydrophobicContact CG1-CD2 4.25Å; V134-F376 HydrophobicContact CG1-CE1 4.49Å; V134-F376 HydrophobicContact CG1-CE2 3.8Å; V134-F376 HydrophobicContact CG1-CZ 3.94Å; V134-F376 HydrophobicContact CG2-CD2 4.38Å; V134-F376 HydrophobicContact CG2-CE2 4.11Å
135	Q	90.8	Very high	88.3	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	124.8	171.6	-178	-177.6	-0.8	0	0	109.5	L112 G114 N121 T128 T156 F157 Y158	L112-Q135 HydrophobicContact CB-CB 4.25Å; L112-Q135 HydrophobicContact CB-CG 4.27Å; L112-Q135 CarbonylContact O-C 3.49Å; L112-Q135 WeakPolarHBondContact O-CA 3.31Å; G114-Q135 PolarHBondContact O-NE2 2.94Å; N121-Q135 PolarHBondContact OD1-NE2 3.42Å; T128-Q135 HydrophobicContact CG2-CB 4.21Å; Q135-T156 PolarHBondContact N-O 2.96Å; Q135-F157 HydrophobicContact CB-CD2 4.26Å; Q135-F157 HydrophobicContact CG-CD2 4.03Å; Q135-F157 HydrophobicContact CG-CE2 4.29Å; Q135-Y158 PolarHBondContact O-N 3.31Å
136	L	91.8	Very high	88	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	107.6	176	-174.9	68.1	0	0	0	111	L112 F113 G114 Y158 V160 G346 T349 I350 F391	L112-L136 PolarHBondContact O-N 2.92Å; F113-L136 HydrophobicContact CD2-CB 4.25Å; F113-L136 HydrophobicContact CD2-CD2 4.27Å; F113-L136 HydrophobicContact CD2-CG 4.38Å; F113-L136 WeakPolarHBondContact CD2-O 3.36Å; F113-L136 HydrophobicContact CE2-CD2 4.35Å; G114-L136 PolarHBondContact N-O 2.6Å; L136-Y158 CarbonylContact C-O 3.58Å; L136-Y158 WeakPolarHBondContact CA-O 3.3Å; L136-V160 HydrophobicContact CD1-CG2 3.58Å; L136-V160 HydrophobicContact CD2-CG2 3.69Å; L136-V160 HydrophobicContact CG-CG2 3.63Å; L136-G346 VanDerWaalsContact CD2-O 3.32Å; L136-G346 WeakPolarHBondContact CD2-O 2.97Å; L136-T349 HydrophobicContact CD2-CG2 4.31Å; L136-I350 HydrophobicContact CB-CD1 4.33Å; L136-I350 HydrophobicContact CD2-CD1 4.02Å; L136-I350 HydrophobicContact CD2-CG1 3.73Å; L136-F391 HydrophobicContact CD1-CE1 4.32Å; L136-F391 HydrophobicContact CD1-CZ 4.21Å
137	S	93.1	Very high	87.5	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	142.8	176.9	178.6	0	0	0	0	112.8	G115 A139 E140 Y158 R159 V160	G115-S137 PolarHBondContact O-OG 3.23Å; S137-A139 PolarHBondContact OG-N 3.37Å; S137-E140 WeakPolarHBondContact OG-CB 3.45Å; S137-E140 PolarHBondContact OG-N 3.18Å; S137-E140 VanDerWaalsContact OG-N 3.07Å; S137-Y158 PolarHBondContact N-O 3.1Å; S137-R159 WeakPolarHBondContact O-CA 3.48Å; S137-V160 PolarHBondContact O-N 3.41Å
138	Y	89.6	Confident	86.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	-96.6	-13.3	176.2	58.6	-106.2	0	0	0	114.3	F42 L58 F113 A116	F42-Y138 AromaticContact CD1-CE1 3.64Å; F42-Y138 HydrophobicContact CD1-CE1 3.64Å; F42-Y138 AromaticContact CD1-CZ 3.83Å; F42-Y138 WeakPolarHBondContact CD1-OH 3.22Å; F42-Y138 HydrophobicContact CE1-CD1 4.14Å; F42-Y138 AromaticContact CE1-CE1 3.45Å; F42-Y138 HydrophobicContact CE1-CE1 3.45Å; F42-Y138 VanDerWaalsContact CE1-CE1 3.45Å; F42-Y138 AromaticContact CE1-CZ 3.99Å; F42-Y138 HydrophobicContact CZ-CE1 4.46Å; L58-Y138 HydrophobicContact CD1-CD2 3.78Å; L58-Y138 HydrophobicContact CD1-CE1 4.25Å; L58-Y138 HydrophobicContact CD1-CE2 3.23Å; F113-Y138 HydrophobicContact CE1-CD1 4.25Å; F113-Y138 HydrophobicContact CZ-CD1 4.12Å; A116-Y138 HydrophobicContact CB-CE2 4.02Å
139	A	89.5	Confident	86.5	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	-138.6	-10.4	-171.7	0	0	0	0	0	115.3	A116 S137 D141 Y339	A116-A139 HydrophobicContact CB-CB 3.97Å; S137-A139 PolarHBondContact OG-N 3.37Å; A139-D141 PolarHBondContact O-N 3.48Å; A139-Y339 HydrophobicContact CB-CD1 3.57Å; A139-Y339 HydrophobicContact CB-CD2 4.36Å; A139-Y339 HydrophobicContact CB-CE1 3.56Å; A139-Y339 HydrophobicContact CB-CE2 4.36Å; A139-Y339 HydrophobicContact CB-CG 3.99Å
140	E	90.4	Very high	86.4	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	19%	0.188	C	C	.	.			trans	-78.1	108.3	-176.6	-176	59.2	-99.8	0	0	113.2	T118 N121 S137 H142 F145 F157 R159 V161 R193	T118-E140 WeakPolarHBondContact CA-OE2 3.46Å; T118-E140 PolarHBondContact N-OE2 3.25Å; T118-E140 PolarHBondContact OG1-OE1 3.38Å; T118-E140 PolarHBondContact OG1-OE2 3.43Å; T118-E140 VanDerWaalsContact OG1-OE2 3.05Å; N121-E140 HydrophobicContact CB-CG 4.48Å; N121-E140 WeakPolarHBondContact ND2-CB 3.48Å; N121-E140 PolarHBondContact ND2-OE2 2.89Å; S137-E140 WeakPolarHBondContact OG-CB 3.45Å; S137-E140 PolarHBondContact OG-N 3.18Å; S137-E140 VanDerWaalsContact OG-N 3.07Å; E140-H142 WeakPolarHBondContact OE1-CB 3.5Å; E140-H142 PolarHBondContact OE1-N 3.25Å; E140-F145 HydrophobicContact CG-CD2 3.62Å; E140-F145 HydrophobicContact CG-CE2 3.39Å; E140-F145 HydrophobicContact CG-CZ 4.25Å; E140-F157 HydrophobicContact CB-CZ 3.96Å; E140-F157 HydrophobicContact CG-CE1 4.4Å; E140-F157 HydrophobicContact CG-CZ 3.85Å; E140-R159 WeakPolarHBondContact O-CD 3.44Å; E140-R159 PolarHBondContact O-NH1 3.47Å; E140-R159 VanDerWaalsContact O-NH1 3.13Å; E140-V161 VanDerWaalsContact O-CG1 3.31Å; E140-V161 WeakPolarHBondContact O-CG1 3.37Å; E140-R193 IonicContact OE1-NH2 3.87Å
141	D	87.7	Confident	86	Confident	11 Å²	11	39.1 Å²	39.1	6%	0.059	18%	0.18	C	C	.	.			trans	-112.9	6.5	179.9	65.1	-31.7	0	0	0	113.3	A139 R159 V161 R193	A139-D141 PolarHBondContact O-N 3.48Å; D141-R159 VanDerWaalsContact C-NH1 3.28Å; D141-R159 VanDerWaalsContact CA-NH1 3.33Å; D141-V161 HydrophobicContact CB-CG1 4.25Å; D141-R193 IonicContact OD1-CZ 2.84Å; D141-R193 IonicContact OD1-NH1 3.22Å; D141-R193 PolarHBondContact OD1-NH1 3.5Å; D141-R193 IonicContact OD1-NH2 3.44Å; D141-R193 IonicContact OD2-NH1 3.6Å
142	H	89.9	Confident	85.9	Confident	9 Å²	9	39.7 Å²	39.7	4%	0.042	19%	0.191	C	C	.	.			trans	-59.2	136.3	-178.8	-166.7	-86.9	0	0	0	111.9	T118 E140 M144 F145 R159 S192 R193	T118-H142 HydrophobicContact CG2-CB 4.01Å; E140-H142 WeakPolarHBondContact OE1-CB 3.5Å; E140-H142 PolarHBondContact OE1-N 3.25Å; H142-M144 VanDerWaalsContact C-N 3.29Å; H142-M144 WeakPolarHBondContact ND1-CB 3.5Å; H142-M144 PolarHBondContact ND1-N 3.27Å; H142-M144 VanDerWaalsContact ND1-N 3.14Å; H142-M144 PolarHBondContact O-N 3.1Å; H142-F145 HydrophobicContact CB-CD2 4.18Å; H142-F145 HydrophobicContact CB-CE2 4.24Å; H142-R159 PolarHBondContact O-NH1 2.63Å; H142-S192 PolarHBondContact CE1-OG 3.31Å; H142-S192 PolarHBondContact NE2-OG 3.41Å; H142-R193 PolarHBondContact NE2-N 3.29Å
143	P	89.3	Confident	86.2	Confident	3 Å²	3	39.1 Å²	39.1	2%	0.019	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-64.6	-25.4	-177.2	-26.1	36	0	0	0	115.8	F145 S146 T147 H164 R193 L196 L197	P143-F145 PolarHBondContact O-N 3.33Å; P143-F145 VanDerWaalsContact O-N 3.1Å; P143-S146 PolarHBondContact O-N 2.83Å; P143-T147 PolarHBondContact O-N 3.36Å; P143-H164 WeakPolarHBondContact CA-ND1 3.3Å; P143-H164 HydrophobicContact CG-CB 4.14Å; P143-R193 WeakPolarHBondContact CG-O 3.44Å; P143-L196 HydrophobicContact CB-CB 3.82Å; P143-L196 HydrophobicContact CB-CD1 4.37Å; P143-L196 HydrophobicContact CG-CB 4.14Å; P143-L197 HydrophobicContact CG-CB 4.24Å
144	M	88.7	Confident	86.4	Confident	40 Å²	40	39 Å²	39	20%	0.197	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-54.5	-29.7	179.7	-176.9	177.4	72.5	0	0	113.7	T118 E122 H142 S146 T147 S150	T118-M144 HydrophobicContact CG2-CE 4.38Å; E122-M144 HydrophobicContact CB-CE 4.06Å; E122-M144 HydrophobicContact CG-CE 3.84Å; H142-M144 VanDerWaalsContact C-N 3.29Å; H142-M144 WeakPolarHBondContact ND1-CB 3.5Å; H142-M144 PolarHBondContact ND1-N 3.27Å; H142-M144 VanDerWaalsContact ND1-N 3.14Å; H142-M144 PolarHBondContact O-N 3.1Å; M144-S146 PolarHBondContact O-N 3.41Å; M144-T147 PolarHBondContact O-OG1 2.93Å; M144-S150 VanDerWaalsContact O-CB 3.28Å; M144-S150 WeakPolarHBondContact O-CB 3.36Å
145	F	89.1	Confident	86.2	Confident	15 Å²	15	39.9 Å²	39.9	7%	0.066	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-75.3	-4.9	179.3	-64.5	-75.3	0	0	0	113.9	T118 N121 E140 H142 P143 S150 Y154 F157	T118-F145 HydrophobicContact CG2-CE2 4.12Å; N121-F145 HydrophobicContact CB-CE1 4.36Å; N121-F145 HydrophobicContact CB-CE2 4.37Å; N121-F145 HydrophobicContact CB-CZ 3.69Å; E140-F145 HydrophobicContact CG-CD2 3.62Å; E140-F145 HydrophobicContact CG-CE2 3.39Å; E140-F145 HydrophobicContact CG-CZ 4.25Å; H142-F145 HydrophobicContact CB-CD2 4.18Å; H142-F145 HydrophobicContact CB-CE2 4.24Å; P143-F145 PolarHBondContact O-N 3.33Å; P143-F145 VanDerWaalsContact O-N 3.1Å; F145-S150 VanDerWaalsContact C-CB 3.43Å; F145-S150 VanDerWaalsContact O-CB 3.31Å; F145-S150 WeakPolarHBondContact O-CB 3.49Å; F145-S150 PolarHBondContact O-OG 3.05Å; F145-Y154 AromaticContact CD1-CD1 3.92Å; F145-Y154 HydrophobicContact CD1-CD1 3.92Å; F145-Y154 HydrophobicContact CD1-CD2 4.07Å; F145-Y154 HydrophobicContact CD1-CE1 4.17Å; F145-Y154 HydrophobicContact CD1-CE2 4.34Å; F145-Y154 AromaticContact CD1-CG 3.87Å; F145-Y154 HydrophobicContact CD1-CG 3.87Å; F145-Y154 AromaticContact CE1-CD1 3.79Å; F145-Y154 HydrophobicContact CE1-CD1 3.79Å; F145-Y154 AromaticContact CE1-CE1 3.73Å; F145-Y154 HydrophobicContact CE1-CE1 3.73Å; F145-Y154 HydrophobicContact CE1-CG 4.23Å; F145-F157 HydrophobicContact CB-CD1 4.18Å; F145-F157 HydrophobicContact CB-CE1 4.05Å; F145-F157 AromaticContact CD1-CD1 3.84Å; F145-F157 HydrophobicContact CD1-CD1 3.84Å; F145-F157 AromaticContact CD1-CE1 3.87Å; F145-F157 HydrophobicContact CD1-CE1 3.87Å; F145-F157 HydrophobicContact CD1-CG 4.27Å; F145-F157 HydrophobicContact CD1-CZ 4.32Å; F145-F157 HydrophobicContact CD2-CE1 4.28Å; F145-F157 HydrophobicContact CE1-CE1 4.41Å; F145-F157 HydrophobicContact CE1-CZ 4.42Å; F145-F157 HydrophobicContact CG-CD1 4.1Å; F145-F157 AromaticContact CG-CE1 3.8Å; F145-F157 HydrophobicContact CG-CE1 3.8Å; F145-F157 HydrophobicContact CG-CZ 4.4Å
146	S	83.9	Confident	85.9	Confident	21 Å²	21	40.2 Å²	40.2	15%	0.147	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-124.7	8.1	178.5	-12.1	0	0	0	0	114.1	P143 M144 S150 R159 H164 E395	P143-S146 PolarHBondContact O-N 2.83Å; M144-S146 PolarHBondContact O-N 3.41Å; S146-S150 WeakPolarHBondContact CA-OG 3.38Å; S146-S150 PolarHBondContact N-OG 3.27Å; S146-R159 PolarHBondContact OG-NH2 2.74Å; S146-H164 VanDerWaalsContact CB-CE1 3.47Å; S146-H164 WeakPolarHBondContact CB-CE1 3.12Å; S146-H164 PolarHBondContact OG-CE1 3.13Å; S146-H164 PolarHBondContact OG-ND1 3.09Å; S146-E395 WeakPolarHBondContact CB-OE1 3.46Å; S146-E395 PolarHBondContact OG-OE1 3.19Å
147	T	80.5	Confident	85.8	Confident	56 Å²	56	40.5 Å²	40.5	34%	0.344	20%	0.203	S	C	.	.	S	Bend	trans	-64.7	158.6	172.6	58.4	0	0	0	0	109.5	P143 M144 D149 S150	P143-T147 PolarHBondContact O-N 3.36Å; M144-T147 PolarHBondContact O-OG1 2.93Å; T147-D149 PolarHBondContact O-N 3.14Å; T147-D149 VanDerWaalsContact O-N 3.1Å; T147-S150 PolarHBondContact N-OG 2.9Å; T147-S150 WeakPolarHBondContact O-CA 3.09Å; T147-S150 WeakPolarHBondContact O-CB 3.43Å; T147-S150 PolarHBondContact O-N 2.95Å; T147-S150 PolarHBondContact O-OG 3.04Å
148	R	75.5	Confident	85.6	Confident	223 Å²	223	40.7 Å²	40.7	84%	0.842	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-36.3	-179.8	-171.9	-175.9	64.8	-171.6	-2	112.9	S150	R148-S150 VanDerWaalsContact C-N 3.26Å; R148-S150 PolarHBondContact O-N 3.34Å
149	D	80.6	Confident	85.6	Confident	98 Å²	98	40.9 Å²	40.9	52%	0.524	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-11.3	-179.8	-51.3	-22.4	0	0	0	112.2	T147 H151	T147-D149 PolarHBondContact O-N 3.14Å; T147-D149 VanDerWaalsContact O-N 3.1Å; D149-H151 VanDerWaalsContact C-N 3.33Å; D149-H151 PolarHBondContact O-N 3.33Å
150	S	81.4	Confident	85.5	Confident	10 Å²	10	40.9 Å²	40.9	7%	0.07	20%	0.204	C	C	.	.	H	α-helix	trans	-69.8	-29.8	-180	85.3	0	0	0	0	112.5	M144 F145 S146 T147 R148 D152 L153 Y154	M144-S150 VanDerWaalsContact O-CB 3.28Å; M144-S150 WeakPolarHBondContact O-CB 3.36Å; F145-S150 VanDerWaalsContact C-CB 3.43Å; F145-S150 VanDerWaalsContact O-CB 3.31Å; F145-S150 WeakPolarHBondContact O-CB 3.49Å; F145-S150 PolarHBondContact O-OG 3.05Å; S146-S150 WeakPolarHBondContact CA-OG 3.38Å; S146-S150 PolarHBondContact N-OG 3.27Å; T147-S150 PolarHBondContact N-OG 2.9Å; T147-S150 WeakPolarHBondContact O-CA 3.09Å; T147-S150 WeakPolarHBondContact O-CB 3.43Å; T147-S150 PolarHBondContact O-N 2.95Å; T147-S150 PolarHBondContact O-OG 3.04Å; R148-S150 VanDerWaalsContact C-N 3.26Å; R148-S150 PolarHBondContact O-N 3.34Å; S150-D152 VanDerWaalsContact C-N 3.26Å; S150-D152 PolarHBondContact O-N 2.87Å; S150-L153 PolarHBondContact O-N 3Å; S150-Y154 WeakPolarHBondContact O-CA 3.2Å; S150-Y154 WeakPolarHBondContact O-CB 3.22Å; S150-Y154 PolarHBondContact O-N 3.42Å
151	H	77.2	Confident	85.4	Confident	118 Å²	118	40.9 Å²	40.9	55%	0.546	20%	0.204	S	C	.	.	H	α-helix	trans	-63.3	-34.9	-178.8	-170.1	-78.1	0	0	0	111.7	D149 G155	D149-H151 VanDerWaalsContact C-N 3.33Å; D149-H151 PolarHBondContact O-N 3.33Å; H151-G155 WeakPolarHBondContact O-CA 3.31Å; H151-G155 PolarHBondContact O-N 3.05Å
152	D	82.4	Confident	85.4	Confident	112 Å²	112	40.4 Å²	40.4	60%	0.599	20%	0.202	S	C	*	.	H	α-helix	trans	-76.3	-40.7	178.4	-71.4	-25.8	0	0	0	112.4	K129 S150	K129-D152 PolarHBondContact NZ-O 3.28Å; S150-D152 VanDerWaalsContact C-N 3.26Å; S150-D152 PolarHBondContact O-N 2.87Å
153	L	87.8	Confident	85.1	Confident	86 Å²	86	40 Å²	40	45%	0.45	20%	0.2	S	C	.	.	H	α-helix	trans	-79.5	-40.5	-177	-67.6	173.4	0	0	0	112.9	M126 S150	M126-L153 HydrophobicContact CG-CB 4.45Å; S150-L153 PolarHBondContact O-N 3Å
154	Y	88.3	Confident	84.9	Confident	11 Å²	11	40.4 Å²	40.4	4%	0.043	20%	0.201	C	C	.	.	S	Bend	trans	-121.8	28.7	-170.3	-49.7	-76.5	0	0	0	112.5	E122 M126 F145 S150 T156 F157	E122-Y154 WeakPolarHBondContact O-CE1 3.14Å; M126-Y154 HydrophobicContact CG-CD1 4.08Å; M126-Y154 HydrophobicContact CG-CE1 3.54Å; F145-Y154 AromaticContact CD1-CD1 3.92Å; F145-Y154 HydrophobicContact CD1-CD1 3.92Å; F145-Y154 HydrophobicContact CD1-CD2 4.07Å; F145-Y154 HydrophobicContact CD1-CE1 4.17Å; F145-Y154 HydrophobicContact CD1-CE2 4.34Å; F145-Y154 AromaticContact CD1-CG 3.87Å; F145-Y154 HydrophobicContact CD1-CG 3.87Å; F145-Y154 AromaticContact CE1-CD1 3.79Å; F145-Y154 HydrophobicContact CE1-CD1 3.79Å; F145-Y154 AromaticContact CE1-CE1 3.73Å; F145-Y154 HydrophobicContact CE1-CE1 3.73Å; F145-Y154 HydrophobicContact CE1-CG 4.23Å; S150-Y154 WeakPolarHBondContact O-CA 3.2Å; S150-Y154 WeakPolarHBondContact O-CB 3.22Å; S150-Y154 PolarHBondContact O-N 3.42Å; Y154-T156 PolarHBondContact O-N 3.41Å; Y154-F157 VanDerWaalsContact O-CB 3.32Å; Y154-F157 WeakPolarHBondContact O-CB 3.33Å; Y154-F157 PolarHBondContact O-N 2.96Å
155	G	83	Confident	84.9	Confident	22 Å²	22	41.5 Å²	41.5	23%	0.227	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-12.4	-175	0	0	0	0	0	116.1	H151 N394	H151-G155 WeakPolarHBondContact O-CA 3.31Å; H151-G155 PolarHBondContact O-N 3.05Å; G155-N394 PolarHBondContact O-ND2 3.36Å
156	T	85.3	Confident	84.9	Confident	8 Å²	8	40.9 Å²	40.9	5%	0.049	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	7	175.6	56.9	0	0	0	0	113.8	K129 K133 Q135 Y154 L370	K129-T156 HydrophobicContact CB-CG2 4.38Å; K129-T156 PolarHBondContact N-OG1 2.92Å; K133-T156 WeakPolarHBondContact O-CB 3.46Å; K133-T156 WeakPolarHBondContact O-CG2 3.42Å; Q135-T156 PolarHBondContact N-O 2.96Å; Y154-T156 PolarHBondContact O-N 3.41Å; T156-L370 HydrophobicContact CG2-CD1 4.16Å; T156-L370 HydrophobicContact CG2-CD2 4.25Å
157	F	89.4	Confident	85.1	Confident	7 Å²	7	40.2 Å²	40.2	3%	0.031	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	119.2	179.5	-178.7	-92.1	0	0	0	110.4	N121 Q135 E140 F145 Y154 R159 N394	N121-F157 HydrophobicContact CB-CE2 4.13Å; Q135-F157 HydrophobicContact CB-CD2 4.26Å; Q135-F157 HydrophobicContact CG-CD2 4.03Å; Q135-F157 HydrophobicContact CG-CE2 4.29Å; E140-F157 HydrophobicContact CB-CZ 3.96Å; E140-F157 HydrophobicContact CG-CE1 4.4Å; E140-F157 HydrophobicContact CG-CZ 3.85Å; F145-F157 HydrophobicContact CB-CD1 4.18Å; F145-F157 HydrophobicContact CB-CE1 4.05Å; F145-F157 AromaticContact CD1-CD1 3.84Å; F145-F157 HydrophobicContact CD1-CD1 3.84Å; F145-F157 AromaticContact CD1-CE1 3.87Å; F145-F157 HydrophobicContact CD1-CE1 3.87Å; F145-F157 HydrophobicContact CD1-CG 4.27Å; F145-F157 HydrophobicContact CD1-CZ 4.32Å; F145-F157 HydrophobicContact CD2-CE1 4.28Å; F145-F157 HydrophobicContact CE1-CE1 4.41Å; F145-F157 HydrophobicContact CE1-CZ 4.42Å; F145-F157 HydrophobicContact CG-CD1 4.1Å; F145-F157 AromaticContact CG-CE1 3.8Å; F145-F157 HydrophobicContact CG-CE1 3.8Å; F145-F157 HydrophobicContact CG-CZ 4.4Å; Y154-F157 VanDerWaalsContact O-CB 3.32Å; Y154-F157 WeakPolarHBondContact O-CB 3.33Å; Y154-F157 PolarHBondContact O-N 2.96Å; F157-R159 HydrophobicContact CE1-CB 4.44Å; F157-N394 VanDerWaalsContact O-CB 3.31Å; F157-N394 WeakPolarHBondContact O-CB 3.49Å
158	Y	89	Confident	85.6	Confident	5 Å²	5	38 Å²	38	2%	0.02	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	156.8	176.4	-70.2	-103.1	0	0	0	110.2	V134 Q135 L136 S137 F376 F391 N394	V134-Y158 HydrophobicContact CG1-CD2 3.6Å; V134-Y158 HydrophobicContact CG1-CE2 4.04Å; V134-Y158 HydrophobicContact CG1-CG 4.47Å; Q135-Y158 PolarHBondContact O-N 3.31Å; L136-Y158 CarbonylContact C-O 3.58Å; L136-Y158 WeakPolarHBondContact CA-O 3.3Å; S137-Y158 PolarHBondContact N-O 3.1Å; Y158-F376 HydrophobicContact CD1-CB 4.45Å; Y158-F376 HydrophobicContact CE1-CB 4Å; Y158-F391 HydrophobicContact CD1-CD1 4.06Å; Y158-F391 HydrophobicContact CD1-CE1 4.46Å; Y158-N394 WeakPolarHBondContact CA-O 3.39Å; Y158-N394 HydrophobicContact CD1-CB 3.83Å; Y158-N394 HydrophobicContact CE1-CB 3.89Å; Y158-N394 WeakPolarHBondContact CE1-OD1 3.39Å; Y158-N394 HydrophobicContact CG-CB 4.16Å; Y158-N394 PolarHBondContact OH-OD1 2.49Å; Y158-N394 VanDerWaalsContact OH-OD1 3.06Å
159	R	88.4	Confident	86.5	Confident	3 Å²	3	32 Å²	32	1%	0.011	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	137.3	175.9	59.9	175.8	171	-160.4	-1.3	114.1	S137 E140 D141 H142 S146 F157 V161 F391 N394 E395 R396	S137-R159 WeakPolarHBondContact O-CA 3.48Å; E140-R159 WeakPolarHBondContact O-CD 3.44Å; E140-R159 PolarHBondContact O-NH1 3.47Å; E140-R159 VanDerWaalsContact O-NH1 3.13Å; D141-R159 VanDerWaalsContact C-NH1 3.28Å; D141-R159 VanDerWaalsContact CA-NH1 3.33Å; H142-R159 PolarHBondContact O-NH1 2.63Å; S146-R159 PolarHBondContact OG-NH2 2.74Å; F157-R159 HydrophobicContact CE1-CB 4.44Å; R159-V161 HydrophobicContact CB-CG1 4.44Å; R159-F391 VanDerWaalsContact O-CE1 3.31Å; R159-F391 WeakPolarHBondContact O-CE1 3.5Å; R159-N394 PolarHBondContact N-O 2.95Å; R159-E395 IonicContact CZ-OE1 3.57Å; R159-E395 IonicContact NE-OE1 3.05Å; R159-E395 IonicContact NH2-OE1 3.74Å; R159-E395 PolarHBondContact NH2-OE1 2.72Å; R159-R396 WeakPolarHBondContact O-CB 3.42Å; R159-R396 PolarHBondContact O-N 2.74Å
160	V	88.1	Confident	87.1	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-87.5	-23.2	178.3	-169.8	0	0	0	0	111.5	L136 S137 Y342 D345 R396	L136-V160 HydrophobicContact CD1-CG2 3.58Å; L136-V160 HydrophobicContact CD2-CG2 3.69Å; L136-V160 HydrophobicContact CG-CG2 3.63Å; S137-V160 PolarHBondContact O-N 3.41Å; V160-Y342 HydrophobicContact CG1-CD1 4.14Å; V160-D345 HydrophobicContact CG1-CB 4.02Å; V160-R396 WeakPolarHBondContact O-CD 3.2Å
161	V	87.7	Confident	87.7	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-73.2	137.1	172	69.1	0	0	0	0	109.2	E140 D141 R159 S163 F306 Y342	E140-V161 VanDerWaalsContact O-CG1 3.31Å; E140-V161 WeakPolarHBondContact O-CG1 3.37Å; D141-V161 HydrophobicContact CB-CG1 4.25Å; R159-V161 HydrophobicContact CB-CG1 4.44Å; V161-S163 PolarHBondContact O-N 3.09Å; V161-F306 HydrophobicContact CG2-CD1 3.91Å; V161-F306 HydrophobicContact CG2-CE1 4.09Å; V161-F306 HydrophobicContact CG2-CG 4.35Å; V161-Y342 HydrophobicContact CG2-CD2 4.39Å; V161-Y342 HydrophobicContact CG2-CE2 4.13Å
162	P	87.3	Confident	88.5	Confident	2 Å²	2	21.6 Å²	21.6	1%	0.013	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-59.1	136.8	178.2	-23.5	34.6	0	0	0	111.5	F306 Y342 I400	P162-F306 HydrophobicContact CG-CB 4.1Å; P162-Y342 WeakPolarHBondContact CD-OH 3.28Å; P162-I400 HydrophobicContact CB-CD1 4.17Å
163	S	84.8	Confident	89.1	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.089	C	C	.	.	P	Polyproline II helix	trans	-72.6	168.8	-178.4	64.3	0	0	0	0	113.9	V161 H165 S166 Q167 E395	V161-S163 PolarHBondContact O-N 3.09Å; S163-H165 PolarHBondContact O-N 3.15Å; S163-H165 PolarHBondContact OG-N 3.41Å; S163-S166 WeakPolarHBondContact O-CB 3.16Å; S163-S166 PolarHBondContact O-N 3.29Å; S163-S166 VanDerWaalsContact O-N 3.11Å; S163-Q167 PolarHBondContact O-N 3.39Å; S163-E395 WeakPolarHBondContact CB-OE1 3.04Å; S163-E395 WeakPolarHBondContact CB-OE2 3.46Å; S163-E395 VanDerWaalsContact OG-CD 3.31Å; S163-E395 PolarHBondContact OG-OE2 2.96Å
164	H	85.3	Confident	89.4	Confident	11 Å²	11	13.5 Å²	13.5	5%	0.051	7%	0.068	C	C	.	.	H	α-helix	trans	-58.8	-29.2	170.8	77.3	-86.2	0	0	0	113.1	P143 S146 S166 Q167 I168 L197	P143-H164 WeakPolarHBondContact CA-ND1 3.3Å; P143-H164 HydrophobicContact CG-CB 4.14Å; S146-H164 VanDerWaalsContact CB-CE1 3.47Å; S146-H164 WeakPolarHBondContact CB-CE1 3.12Å; S146-H164 PolarHBondContact OG-CE1 3.13Å; S146-H164 PolarHBondContact OG-ND1 3.09Å; H164-S166 VanDerWaalsContact C-N 3.3Å; H164-S166 PolarHBondContact O-N 3.45Å; H164-Q167 WeakPolarHBondContact O-CB 3.33Å; H164-Q167 PolarHBondContact O-N 3.32Å; H164-Q167 VanDerWaalsContact O-N 3.09Å; H164-I168 WeakPolarHBondContact O-CG1 3.47Å; H164-I168 PolarHBondContact O-N 3.5Å; H164-L197 HydrophobicContact CB-CD1 3.6Å
165	H	87	Confident	89.7	Confident	64 Å²	64	13 Å²	13	30%	0.296	7%	0.066	S	C	.	.	H	α-helix	trans	-58.2	-41.6	173	-64.1	158.2	0	0	0	112.2	S163 Q167 I168 R169 E395	S163-H165 PolarHBondContact O-N 3.15Å; S163-H165 PolarHBondContact OG-N 3.41Å; H165-Q167 VanDerWaalsContact C-N 3.3Å; H165-Q167 PolarHBondContact O-N 3.21Å; H165-I168 PolarHBondContact O-N 3.48Å; H165-R169 WeakPolarHBondContact O-CG 3.47Å; H165-R169 PolarHBondContact O-N 3.17Å; H165-E395 IonicContact CE1-OE2 3.61Å; H165-E395 IonicContact CG-OE2 3.97Å; H165-E395 IonicContact ND1-OE1 2.61Å; H165-E395 IonicContact ND1-OE2 3.54Å; H165-E395 PolarHBondContact ND1-OE2 3.48Å
166	S	88.9	Confident	90.2	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.007	8%	0.083	C	C	.	.	H	α-helix	trans	-63.1	-38.7	175.8	-62.7	0	0	0	0	111.2	S163 H164 A170 A420	S163-S166 WeakPolarHBondContact O-CB 3.16Å; S163-S166 PolarHBondContact O-N 3.29Å; S163-S166 VanDerWaalsContact O-N 3.11Å; H164-S166 VanDerWaalsContact C-N 3.3Å; H164-S166 PolarHBondContact O-N 3.45Å; S166-A170 VanDerWaalsContact O-CB 3.32Å; S166-A170 WeakPolarHBondContact O-CB 3.5Å; S166-A170 PolarHBondContact O-N 3.1Å; S166-A420 WeakPolarHBondContact OG-CB 3.21Å
167	Q	89.1	Confident	90.7	Very high	8 Å²	8	22.5 Å²	22.5	4%	0.037	10%	0.1	C	C	.	.	H	α-helix	trans	-66.4	-42.5	175.5	-59.7	-177.4	33.4	0	0	112.4	S163 H164 H165 A170 R171 L197 F274 I400	S163-Q167 PolarHBondContact O-N 3.39Å; H164-Q167 WeakPolarHBondContact O-CB 3.33Å; H164-Q167 PolarHBondContact O-N 3.32Å; H164-Q167 VanDerWaalsContact O-N 3.09Å; H165-Q167 VanDerWaalsContact C-N 3.3Å; H165-Q167 PolarHBondContact O-N 3.21Å; Q167-A170 PolarHBondContact O-N 3.17Å; Q167-R171 WeakPolarHBondContact O-CG 3.45Å; Q167-R171 PolarHBondContact O-N 2.92Å; Q167-L197 HydrophobicContact CB-CD1 4.47Å; Q167-F274 VanDerWaalsContact NE2-CZ 3.27Å; Q167-I400 HydrophobicContact CG-CD1 4.13Å
168	I	91.9	Very high	90.8	Very high	10 Å²	10	23.6 Å²	23.6	5%	0.051	10%	0.104	C	C	.	.	H	α-helix	trans	-60.1	-51.1	177.2	-70	173.2	0	0	0	110	H164 H165 A170 R171 I172 L197 A200 F201	H164-I168 WeakPolarHBondContact O-CG1 3.47Å; H164-I168 PolarHBondContact O-N 3.5Å; H165-I168 PolarHBondContact O-N 3.48Å; I168-A170 VanDerWaalsContact C-N 3.3Å; I168-A170 PolarHBondContact O-N 3.44Å; I168-R171 PolarHBondContact O-N 3.19Å; I168-I172 HydrophobicContact CG2-CD1 3.72Å; I168-I172 HydrophobicContact CG2-CG1 4.5Å; I168-I172 VanDerWaalsContact O-CG1 3.32Å; I168-I172 WeakPolarHBondContact O-CG1 3.42Å; I168-I172 PolarHBondContact O-N 3.44Å; I168-L197 HydrophobicContact CG1-CD1 4.19Å; I168-A200 HydrophobicContact CD1-CB 3.68Å; I168-F201 HydrophobicContact CG1-CB 4.16Å; I168-F201 HydrophobicContact CG2-CD2 4.24Å
169	R	92.6	Very high	91	Very high	95 Å²	95	29.9 Å²	29.9	36%	0.358	14%	0.138	S	C	.	.	H	α-helix	trans	-60.1	-39.5	178.2	-69.3	-177.6	-172.2	172.4	6.1	112.3	H165 S173 F418	H165-R169 WeakPolarHBondContact O-CG 3.47Å; H165-R169 PolarHBondContact O-N 3.17Å; R169-S173 VanDerWaalsContact O-CB 3.31Å; R169-S173 WeakPolarHBondContact O-CB 3.36Å; R169-S173 PolarHBondContact O-N 3.48Å; R169-S173 PolarHBondContact O-OG 2.94Å; R169-F418 HydrophobicContact CB-CE1 3.68Å; R169-F418 HydrophobicContact CB-CZ 3.73Å
170	A	93.9	Very high	91.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.4	-45.9	175.9	0	0	0	0	0	112.2	S166 Q167 I168 S173 F174 L304 I400 F418	S166-A170 VanDerWaalsContact O-CB 3.32Å; S166-A170 WeakPolarHBondContact O-CB 3.5Å; S166-A170 PolarHBondContact O-N 3.1Å; Q167-A170 PolarHBondContact O-N 3.17Å; I168-A170 VanDerWaalsContact C-N 3.3Å; I168-A170 PolarHBondContact O-N 3.44Å; A170-S173 PolarHBondContact O-N 3.28Å; A170-F174 WeakPolarHBondContact O-CB 3.33Å; A170-F174 PolarHBondContact O-N 3Å; A170-L304 HydrophobicContact CB-CD2 3.75Å; A170-I400 HydrophobicContact CB-CB 3.84Å; A170-I400 HydrophobicContact CB-CG1 4.09Å; A170-I400 HydrophobicContact CB-CG2 3.79Å; A170-F418 HydrophobicContact CB-CB 3.83Å; A170-F418 HydrophobicContact CB-CD1 3.58Å; A170-F418 HydrophobicContact CB-CE1 4.32Å; A170-F418 HydrophobicContact CB-CG 3.76Å
171	R	94	Very high	91.4	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.008	16%	0.161	C	C	.	.	H	α-helix	trans	-60.3	-48.7	176.5	-71.1	-177.3	-173.3	104.6	9.7	111.4	Q167 I168 S173 F174 L175 F201 L304	Q167-R171 WeakPolarHBondContact O-CG 3.45Å; Q167-R171 PolarHBondContact O-N 2.92Å; I168-R171 PolarHBondContact O-N 3.19Å; R171-S173 VanDerWaalsContact C-N 3.34Å; R171-S173 PolarHBondContact O-N 3.28Å; R171-F174 WeakPolarHBondContact O-CB 3.4Å; R171-F174 PolarHBondContact O-N 2.99Å; R171-L175 WeakPolarHBondContact O-CG 3.28Å; R171-L175 PolarHBondContact O-N 3.43Å; R171-F201 HydrophobicContact CB-CD2 4.14Å; R171-F201 HydrophobicContact CB-CE2 3.46Å; R171-F201 VanDerWaalsContact CB-CE2 3.46Å; R171-F201 HydrophobicContact CB-CZ 4.07Å; R171-F201 HydrophobicContact CG-CE2 4.39Å; R171-L304 HydrophobicContact CB-CD2 4.47Å; R171-L304 HydrophobicContact CG-CD2 3.63Å
172	I	94.7	Very high	91.6	Very high	7 Å²	7	37.3 Å²	37.3	4%	0.036	18%	0.177	C	C	.	.	H	α-helix	trans	-59.4	-47.4	179.2	-68.5	170.5	0	0	0	110.7	I168 F174 L175 R176 F201 T204 L205 H209	I168-I172 HydrophobicContact CG2-CD1 3.72Å; I168-I172 HydrophobicContact CG2-CG1 4.5Å; I168-I172 VanDerWaalsContact O-CG1 3.32Å; I168-I172 WeakPolarHBondContact O-CG1 3.42Å; I168-I172 PolarHBondContact O-N 3.44Å; I172-F174 VanDerWaalsContact C-N 3.29Å; I172-F174 PolarHBondContact O-N 3.17Å; I172-L175 PolarHBondContact O-N 2.65Å; I172-R176 WeakPolarHBondContact O-CG 3.28Å; I172-R176 PolarHBondContact O-N 2.97Å; I172-F201 HydrophobicContact CG1-CD2 4.21Å; I172-F201 HydrophobicContact CG1-CE2 3.94Å; I172-T204 HydrophobicContact CD1-CG2 3.52Å; I172-L205 HydrophobicContact CG1-CD2 3.81Å; I172-L205 HydrophobicContact CG1-CG 4.28Å; I172-H209 WeakPolarHBondContact CG2-CD2 3.4Å; I172-H209 WeakPolarHBondContact CG2-NE2 3.31Å
173	S	94.5	Very high	91.9	Very high	27 Å²	27	37.3 Å²	37.3	19%	0.189	18%	0.176	C	C	.	.	H	α-helix	trans	-61.8	-39.5	179.6	-60.1	0	0	0	0	111.5	R169 A170 R171 R176 N177 F418 L425	R169-S173 VanDerWaalsContact O-CB 3.31Å; R169-S173 WeakPolarHBondContact O-CB 3.36Å; R169-S173 PolarHBondContact O-N 3.48Å; R169-S173 PolarHBondContact O-OG 2.94Å; A170-S173 PolarHBondContact O-N 3.28Å; R171-S173 VanDerWaalsContact C-N 3.34Å; R171-S173 PolarHBondContact O-N 3.28Å; S173-R176 PolarHBondContact O-N 3.4Å; S173-N177 PolarHBondContact O-N 2.87Å; S173-F418 WeakPolarHBondContact OG-CE2 3.46Å; S173-L425 WeakPolarHBondContact O-CD2 3.35Å
174	F	94.8	Very high	92.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.4	-44.6	175.9	-173.9	-107.8	0	0	0	112.6	A170 R171 I172 R176 N177 Y178 W180 I270 F302 I402 I427	A170-F174 WeakPolarHBondContact O-CB 3.33Å; A170-F174 PolarHBondContact O-N 3Å; R171-F174 WeakPolarHBondContact O-CB 3.4Å; R171-F174 PolarHBondContact O-N 2.99Å; I172-F174 VanDerWaalsContact C-N 3.29Å; I172-F174 PolarHBondContact O-N 3.17Å; F174-R176 VanDerWaalsContact C-N 3.35Å; F174-R176 PolarHBondContact O-N 2.95Å; F174-N177 WeakPolarHBondContact O-CB 3.43Å; F174-N177 PolarHBondContact O-N 3.46Å; F174-Y178 HydrophobicContact CD2-CE2 4.25Å; F174-Y178 HydrophobicContact CE2-CD2 4.39Å; F174-Y178 AromaticContact CE2-CE2 3.66Å; F174-Y178 HydrophobicContact CE2-CE2 3.66Å; F174-Y178 HydrophobicContact CZ-CD2 4.34Å; F174-Y178 AromaticContact CZ-CE2 3.81Å; F174-Y178 HydrophobicContact CZ-CE2 3.81Å; F174-W180 HydrophobicContact CD1-CZ3 4.46Å; F174-W180 HydrophobicContact CE1-CZ3 4.1Å; F174-I270 HydrophobicContact CD1-CD1 3.78Å; F174-I270 HydrophobicContact CD1-CG1 4.46Å; F174-I270 HydrophobicContact CE1-CD1 3.82Å; F174-I270 HydrophobicContact CE1-CG1 4.18Å; F174-F302 HydrophobicContact CE1-CD2 4.36Å; F174-F302 HydrophobicContact CE1-CG 4.29Å; F174-F302 AromaticContact CZ-CD1 3.88Å; F174-F302 HydrophobicContact CZ-CD1 3.88Å; F174-F302 HydrophobicContact CZ-CD2 4.17Å; F174-F302 AromaticContact CZ-CE1 3.98Å; F174-F302 HydrophobicContact CZ-CE1 3.98Å; F174-F302 HydrophobicContact CZ-CE2 4.27Å; F174-F302 AromaticContact CZ-CG 3.97Å; F174-F302 HydrophobicContact CZ-CG 3.97Å; F174-F302 HydrophobicContact CZ-CZ 4.17Å; F174-I402 HydrophobicContact CB-CD1 4.17Å; F174-I402 HydrophobicContact CD2-CD1 3.51Å; F174-I402 HydrophobicContact CD2-CG2 4.32Å; F174-I402 HydrophobicContact CE2-CD1 4.19Å; F174-I402 HydrophobicContact CE2-CG2 4.04Å; F174-I402 HydrophobicContact CG-CD1 4.08Å; F174-I402 HydrophobicContact CZ-CG2 4.46Å; F174-I427 HydrophobicContact CD2-CD1 3.89Å; F174-I427 HydrophobicContact CE2-CD1 4.07Å
175	L	94.9	Very high	92.5	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-61.9	-42.5	176.3	-66.8	176.3	0	0	0	111.9	R171 I172 N177 Y178 N179 W180 V183 F201 L205 I241 I270	R171-L175 WeakPolarHBondContact O-CG 3.28Å; R171-L175 PolarHBondContact O-N 3.43Å; I172-L175 PolarHBondContact O-N 2.65Å; L175-N177 VanDerWaalsContact C-N 3.34Å; L175-N177 PolarHBondContact O-N 3.15Å; L175-Y178 PolarHBondContact O-N 3.44Å; L175-N179 PolarHBondContact O-N 2.7Å; L175-W180 HydrophobicContact CD2-CE3 3.65Å; L175-W180 HydrophobicContact CD2-CZ3 4.21Å; L175-W180 PolarHBondContact O-N 3.45Å; L175-V183 HydrophobicContact CD1-CG1 3.93Å; L175-V183 HydrophobicContact CD2-CG1 4.06Å; L175-F201 HydrophobicContact CD1-CE2 4.41Å; L175-F201 HydrophobicContact CD1-CZ 3.88Å; L175-L205 HydrophobicContact CD1-CD1 4.13Å; L175-L205 HydrophobicContact CD1-CD2 4Å; L175-I241 HydrophobicContact CD2-CG2 3.76Å; L175-I270 HydrophobicContact CD2-CD1 3.73Å
176	R	93.6	Very high	92.6	Very high	153 Å²	153	33.8 Å²	33.8	58%	0.577	16%	0.16	S	C	*	.	H	α-helix	trans	-65.9	-34.6	178.6	-72.7	-176.4	68.4	-176.9	0.9	112.8	I172 S173 F174 Y178 N179	I172-R176 WeakPolarHBondContact O-CG 3.28Å; I172-R176 PolarHBondContact O-N 2.97Å; S173-R176 PolarHBondContact O-N 3.4Å; F174-R176 VanDerWaalsContact C-N 3.35Å; F174-R176 PolarHBondContact O-N 2.95Å; R176-Y178 PolarHBondContact O-N 3.36Å; R176-N179 PolarHBondContact O-N 2.93Å; R176-N179 VanDerWaalsContact O-N 3.12Å
177	N	94	Very high	92.5	Very high	76 Å²	76	33.9 Å²	33.9	41%	0.406	16%	0.161	S	C	.	.	H	α-helix	trans	-57.9	-32.6	177.4	-172.9	78.1	0	0	0	112.6	S173 F174 L175 L425 I427	S173-N177 PolarHBondContact O-N 2.87Å; F174-N177 WeakPolarHBondContact O-CB 3.43Å; F174-N177 PolarHBondContact O-N 3.46Å; L175-N177 VanDerWaalsContact C-N 3.34Å; L175-N177 PolarHBondContact O-N 3.15Å; N177-L425 HydrophobicContact CB-CD2 4Å; N177-I427 HydrophobicContact CB-CD1 4.32Å
178	Y	93	Very high	92.4	Very high	31 Å²	31	33.5 Å²	33.5	12%	0.122	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	10.9	179.3	-65.4	-68.9	0	0	0	114.2	F174 L175 R176 W180 I427 E429 I432 W434 P439	F174-Y178 HydrophobicContact CD2-CE2 4.25Å; F174-Y178 HydrophobicContact CE2-CD2 4.39Å; F174-Y178 AromaticContact CE2-CE2 3.66Å; F174-Y178 HydrophobicContact CE2-CE2 3.66Å; F174-Y178 HydrophobicContact CZ-CD2 4.34Å; F174-Y178 AromaticContact CZ-CE2 3.81Å; F174-Y178 HydrophobicContact CZ-CE2 3.81Å; L175-Y178 PolarHBondContact O-N 3.44Å; R176-Y178 PolarHBondContact O-N 3.36Å; Y178-W180 AromaticContact CD2-CH2 3.9Å; Y178-W180 HydrophobicContact CD2-CH2 3.9Å; Y178-W180 HydrophobicContact CD2-CZ2 4.37Å; Y178-W180 HydrophobicContact CD2-CZ3 4.01Å; Y178-W180 HydrophobicContact CG-CH2 4.13Å; Y178-W180 HydrophobicContact CG-CZ2 4.13Å; Y178-W180 HydrophobicContact CG-CZ3 4.44Å; Y178-W180 PolarHBondContact O-N 3.01Å; Y178-I427 HydrophobicContact CE2-CD1 4.48Å; Y178-E429 PolarHBondContact OH-OE1 3.15Å; Y178-E429 PolarHBondContact OH-OE2 3.15Å; Y178-E429 VanDerWaalsContact OH-OE2 3.13Å; Y178-I432 VanDerWaalsContact OH-CD1 3.25Å; Y178-I432 WeakPolarHBondContact OH-CD1 3.42Å; Y178-W434 HydrophobicContact CD1-CZ2 4.48Å; Y178-W434 AromaticContact CE1-CZ2 3.88Å; Y178-W434 HydrophobicContact CE1-CZ2 3.88Å; Y178-W434 HydrophobicContact CE2-CZ2 4.16Å; Y178-W434 AromaticContact CZ-CZ2 3.7Å; Y178-P439 HydrophobicContact CD1-CB 4.13Å; Y178-P439 HydrophobicContact CD1-CG 4.03Å; Y178-P439 HydrophobicContact CE1-CG 4.45Å
179	N	92.3	Very high	92	Very high	137 Å²	137	37.5 Å²	37.5	73%	0.733	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	33.6	-179.4	-63.4	-39.7	0	0	0	114.4	L175 R176	L175-N179 PolarHBondContact O-N 2.7Å; R176-N179 PolarHBondContact O-N 2.93Å; R176-N179 VanDerWaalsContact O-N 3.12Å
180	W	93.7	Very high	91.4	Very high	11 Å²	11	37.2 Å²	37.2	4%	0.042	19%	0.186	C	C	.	.			trans	-80	123.3	175.5	-64	-37.2	0	0	0	110.8	F174 L175 Y178 I241 V268 I270 W434 P439 P440 D442	F174-W180 HydrophobicContact CD1-CZ3 4.46Å; F174-W180 HydrophobicContact CE1-CZ3 4.1Å; L175-W180 HydrophobicContact CD2-CE3 3.65Å; L175-W180 HydrophobicContact CD2-CZ3 4.21Å; L175-W180 PolarHBondContact O-N 3.45Å; Y178-W180 AromaticContact CD2-CH2 3.9Å; Y178-W180 HydrophobicContact CD2-CH2 3.9Å; Y178-W180 HydrophobicContact CD2-CZ2 4.37Å; Y178-W180 HydrophobicContact CD2-CZ3 4.01Å; Y178-W180 HydrophobicContact CG-CH2 4.13Å; Y178-W180 HydrophobicContact CG-CZ2 4.13Å; Y178-W180 HydrophobicContact CG-CZ3 4.44Å; Y178-W180 PolarHBondContact O-N 3.01Å; W180-I241 HydrophobicContact CB-CG1 4.26Å; W180-I241 HydrophobicContact CD2-CD1 3.66Å; W180-I241 HydrophobicContact CD2-CG1 3.76Å; W180-I241 HydrophobicContact CD2-CG2 4.21Å; W180-I241 VanDerWaalsContact CE2-CD1 3.43Å; W180-I241 HydrophobicContact CE3-CD1 4.12Å; W180-I241 HydrophobicContact CE3-CG1 4.2Å; W180-I241 HydrophobicContact CE3-CG2 3.78Å; W180-I241 HydrophobicContact CG-CD1 4.11Å; W180-I241 HydrophobicContact CG-CG1 3.79Å; W180-I241 HydrophobicContact CH2-CD1 4.15Å; W180-I241 HydrophobicContact CZ2-CD1 3.7Å; W180-I241 HydrophobicContact CZ3-CD1 4.35Å; W180-I241 HydrophobicContact CZ3-CG2 4.15Å; W180-V268 HydrophobicContact CH2-CB 4.39Å; W180-V268 HydrophobicContact CH2-CG1 4.1Å; W180-V268 HydrophobicContact CH2-CG2 4.11Å; W180-V268 HydrophobicContact CZ2-CG2 4.14Å; W180-I270 HydrophobicContact CZ3-CD1 4.29Å; W180-W434 HydrophobicContact CH2-CH2 4.03Å; W180-W434 HydrophobicContact CZ2-CH2 4.32Å; W180-P439 HydrophobicContact CZ2-CB 4.17Å; W180-P440 PolarHBondContact NE1-O 3.45Å; W180-D442 HydrophobicContact CB-CB 4.29Å; W180-D442 HydrophobicContact CG-CB 4.4Å
181	T	91.3	Very high	90.9	Very high	74 Å²	74	38.7 Å²	38.7	45%	0.454	19%	0.194	S	C	.	.			trans	-108	-11.4	-176	63.6	0	0	0	0	113.2	V211 A212 D442	T181-V211 CarbonylContact O-C 3.58Å; T181-V211 WeakPolarHBondContact O-CA 3.45Å; T181-V211 WeakPolarHBondContact O-CG1 3.36Å; T181-A212 PolarHBondContact O-N 3.41Å; T181-D442 WeakPolarHBondContact CA-OD2 3.32Å; T181-D442 PolarHBondContact N-OD2 3.21Å; T181-D442 PolarHBondContact OG1-OD2 3.48Å
182	K	91.7	Very high	90.6	Very high	74 Å²	74	41.4 Å²	41.4	32%	0.322	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	130.5	177.7	-63.8	173.5	-173.9	171.8	0	110.5	A212 L214 D442 S443	K182-A212 WeakPolarHBondContact CA-O 3.23Å; K182-A212 HydrophobicContact CG-CB 4.42Å; K182-L214 HydrophobicContact CB-CD1 4.11Å; K182-L214 HydrophobicContact CB-CD2 4.38Å; K182-L214 HydrophobicContact CB-CG 4.2Å; K182-L214 HydrophobicContact CD-CD2 4.33Å; K182-L214 HydrophobicContact CG-CD2 4.37Å; K182-D442 HydrophobicContact CB-CB 4.25Å; K182-D442 PolarHBondContact N-OD2 3.34Å; K182-S443 PolarHBondContact NZ-OG 2.99Å
183	V	93.3	Very high	90.2	Very high	1 Å²	1	42 Å²	42	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	148.3	179.2	-60	0	0	0	0	111.4	L175 L205 V211 A212 V213 L214 I241	L175-V183 HydrophobicContact CD1-CG1 3.93Å; L175-V183 HydrophobicContact CD2-CG1 4.06Å; V183-L205 HydrophobicContact CG2-CD1 3.96Å; V183-V211 HydrophobicContact CG1-CG1 4.11Å; V183-V211 HydrophobicContact CG2-CG1 4.07Å; V183-A212 PolarHBondContact N-O 2.94Å; V183-V213 HydrophobicContact CG2-CG2 4.11Å; V183-V213 CarbonylContact O-C 3.58Å; V183-V213 WeakPolarHBondContact O-CA 3.2Å; V183-L214 PolarHBondContact O-N 3.14Å; V183-I241 CarbonylContact C-O 3.55Å; V183-I241 WeakPolarHBondContact CA-O 3.14Å; V183-I241 HydrophobicContact CG1-CB 4.25Å; V183-I241 HydrophobicContact CG1-CG2 4.05Å
184	G	92.1	Very high	89.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	126.9	164.7	0	0	0	0	0	109.9	I241 I242 V243	G184-I241 PolarHBondContact N-O 3.26Å; G184-I242 CarbonylContact O-C 3.57Å; G184-I242 WeakPolarHBondContact O-CA 3.5Å; G184-V243 PolarHBondContact O-N 2.82Å
185	A	90.9	Very high	89.6	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.008	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	132.5	174.6	0	0	0	0	0	110.3	M198 T202 V213 A215 V243	A185-M198 HydrophobicContact CB-CE 3.8Å; A185-T202 HydrophobicContact CB-CG2 3.72Å; A185-V213 HydrophobicContact CB-CG1 4.12Å; A185-A215 WeakPolarHBondContact CA-O 3.41Å; A185-A215 WeakPolarHBondContact CB-O 3.28Å; A185-A215 PolarHBondContact N-O 3.5Å; A185-V243 WeakPolarHBondContact CA-O 3.2Å
186	L	89.1	Confident	89.3	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127.4	173.3	-70.1	173.5	0	0	0	109.5	F219 L230 E233 I234 I242 V243 G244 G245 L253 W269	L186-F219 HydrophobicContact CB-CE1 4.46Å; L186-L230 HydrophobicContact CD1-CD2 3.76Å; L186-E233 HydrophobicContact CD2-CB 4.46Å; L186-I234 HydrophobicContact CD1-CD1 4.14Å; L186-I234 HydrophobicContact CD1-CG1 4.12Å; L186-I234 HydrophobicContact CD2-CD1 4.17Å; L186-I234 HydrophobicContact CD2-CG1 4.25Å; L186-I234 HydrophobicContact CG-CD1 4.07Å; L186-I234 HydrophobicContact CG-CG1 4.42Å; L186-I242 HydrophobicContact CD1-CG2 3.66Å; L186-I242 HydrophobicContact CG-CG2 4.14Å; L186-V243 PolarHBondContact N-O 3.39Å; L186-G244 WeakPolarHBondContact O-CA 3.48Å; L186-G245 PolarHBondContact O-N 3.39Å; L186-L253 HydrophobicContact CD1-CD1 4.47Å; L186-W269 HydrophobicContact CD1-CH2 3.79Å; L186-W269 HydrophobicContact CD1-CZ3 3.64Å
187	V	87.8	Confident	89.1	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	134.9	-170.8	-171.6	0	0	0	0	109.7	M198 G218 F219	V187-M198 HydrophobicContact CB-CB 4.37Å; V187-M198 HydrophobicContact CG1-CB 4.03Å; V187-M198 HydrophobicContact CG1-CG 4.39Å; V187-M198 HydrophobicContact CG2-CB 3.51Å; V187-M198 HydrophobicContact CG2-CE 4.44Å; V187-M198 HydrophobicContact CG2-CG 3.96Å; V187-G218 CarbonylContact O-C 3.52Å; V187-G218 WeakPolarHBondContact O-CA 3.36Å; V187-F219 WeakPolarHBondContact O-CD1 3.4Å; V187-F219 WeakPolarHBondContact O-CE1 3.33Å; V187-F219 PolarHBondContact O-N 3.24Å
188	Q	86.1	Confident	88.9	Confident	1 Å²	1	35 Å²	35	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	114.5	167.2	-176	171.5	2	0	0	109.5	F219 S221 G245 F246 N247 T249	Q188-F219 HydrophobicContact CB-CE2 4.2Å; Q188-F219 HydrophobicContact CB-CZ 4.07Å; Q188-F219 HydrophobicContact CG-CE2 4.28Å; Q188-S221 PolarHBondContact NE2-OG 3.48Å; Q188-G245 PolarHBondContact N-O 3.26Å; Q188-F246 HydrophobicContact CB-CB 3.87Å; Q188-N247 PolarHBondContact NE2-ND2 2.93Å; Q188-N247 PolarHBondContact NE2-OD1 3.39Å; Q188-N247 VanDerWaalsContact NE2-OD1 3.08Å; Q188-N247 PolarHBondContact OE1-OD1 3.17Å; Q188-T249 PolarHBondContact NE2-OG1 3.34Å
189	N	83.1	Confident	88.8	Confident	93 Å²	93	37.5 Å²	37.5	50%	0.497	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-24	-173.3	-77.1	-11	0	0	0	113.9	D191 G218 F219	N189-D191 PolarHBondContact O-N 3.45Å; N189-G218 WeakPolarHBondContact ND2-CA 3.43Å; N189-G218 WeakPolarHBondContact OD1-CA 3.35Å; N189-F219 PolarHBondContact N-O 3.45Å
190	D	81.5	Confident	88.7	Confident	90 Å²	90	32.6 Å²	32.6	48%	0.481	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-9.3	-176.1	-53.8	-26.5	0	0	0	112.9	S220 S221	D190-S220 VanDerWaalsContact CG-OG 3.27Å; D190-S220 WeakPolarHBondContact OD1-CB 3.47Å; D190-S220 PolarHBondContact OD1-OG 2.94Å; D190-S220 WeakPolarHBondContact OD2-CA 3.5Å; D190-S220 PolarHBondContact OD2-OG 3.07Å; D190-S221 WeakPolarHBondContact OD2-CB 3.41Å; D190-S221 PolarHBondContact OD2-N 2.89Å; D190-S221 PolarHBondContact OD2-OG 3.15Å
191	D	81.9	Confident	88.6	Confident	31 Å²	31	32.1 Å²	32.1	17%	0.166	18%	0.179	C	C	.	.			trans	-129.7	109.5	-176.5	-172.6	-18.4	0	0	0	110.5	N189 R193 Y194 S195	N189-D191 PolarHBondContact O-N 3.45Å; D191-R193 PolarHBondContact O-N 2.93Å; D191-R193 VanDerWaalsContact O-N 3.08Å; D191-R193 WeakPolarHBondContact OD1-CB 3.13Å; D191-R193 PolarHBondContact OD1-N 2.86Å; D191-Y194 HydrophobicContact CB-CD2 3.98Å; D191-Y194 PolarHBondContact O-N 3.04Å; D191-Y194 VanDerWaalsContact O-N 3.09Å; D191-Y194 WeakPolarHBondContact OD2-CE2 2.89Å; D191-S195 PolarHBondContact O-N 2.85Å
192	S	87.6	Confident	88.7	Confident	58 Å²	58	29.2 Å²	29.2	41%	0.406	16%	0.161	S	C	.	.	H	α-helix	trans	-57.8	-24.4	-177.6	53	0	0	0	0	113.6	H142 Y194 S195 L196	H142-S192 PolarHBondContact CE1-OG 3.31Å; H142-S192 PolarHBondContact NE2-OG 3.41Å; S192-Y194 VanDerWaalsContact C-N 3.28Å; S192-Y194 PolarHBondContact O-N 3Å; S192-S195 WeakPolarHBondContact CA-OG 3.4Å; S192-L196 VanDerWaalsContact O-CB 3.27Å; S192-L196 WeakPolarHBondContact O-CB 3.19Å; S192-L196 VanDerWaalsContact O-CG 3.25Å; S192-L196 WeakPolarHBondContact O-CG 3.07Å; S192-L196 PolarHBondContact O-N 3.06Å; S192-L196 VanDerWaalsContact O-N 3.1Å
193	R	87.7	Confident	88.7	Confident	21 Å²	21	28 Å²	28	8%	0.079	16%	0.16	C	C	.	.	H	α-helix	trans	-60.4	-40.2	177.6	-178.3	178.9	-71.4	-109.3	-20.8	112	T118 E140 D141 H142 P143 D191 L197	T118-R193 PolarHBondContact OG1-NH2 2.95Å; E140-R193 IonicContact OE1-NH2 3.87Å; D141-R193 IonicContact OD1-CZ 2.84Å; D141-R193 IonicContact OD1-NH1 3.22Å; D141-R193 PolarHBondContact OD1-NH1 3.5Å; D141-R193 IonicContact OD1-NH2 3.44Å; D141-R193 IonicContact OD2-NH1 3.6Å; H142-R193 PolarHBondContact NE2-N 3.29Å; P143-R193 WeakPolarHBondContact CG-O 3.44Å; D191-R193 PolarHBondContact O-N 2.93Å; D191-R193 VanDerWaalsContact O-N 3.08Å; D191-R193 WeakPolarHBondContact OD1-CB 3.13Å; D191-R193 PolarHBondContact OD1-N 2.86Å; R193-L197 WeakPolarHBondContact O-CB 3.47Å
194	Y	87.2	Confident	88.6	Confident	19 Å²	19	29.5 Å²	29.5	8%	0.075	17%	0.169	C	C	.	.	H	α-helix	trans	-93.3	-36.3	-176.8	-61.6	-78.4	0	0	0	112	D191 S192 M198 G245 F246 N247 A272	D191-Y194 HydrophobicContact CB-CD2 3.98Å; D191-Y194 PolarHBondContact O-N 3.04Å; D191-Y194 VanDerWaalsContact O-N 3.09Å; D191-Y194 WeakPolarHBondContact OD2-CE2 2.89Å; S192-Y194 VanDerWaalsContact C-N 3.28Å; S192-Y194 PolarHBondContact O-N 3Å; Y194-M198 WeakPolarHBondContact O-CB 3.25Å; Y194-M198 VanDerWaalsContact O-CG 3.26Å; Y194-M198 WeakPolarHBondContact O-CG 2.92Å; Y194-M198 PolarHBondContact O-N 3.26Å; Y194-G245 WeakPolarHBondContact CB-O 3.43Å; Y194-F246 VanDerWaalsContact CD1-N 3.33Å; Y194-F246 VanDerWaalsContact CE1-O 3.32Å; Y194-F246 WeakPolarHBondContact CE1-O 3.4Å; Y194-N247 HydrophobicContact CD2-CB 4.46Å; Y194-N247 HydrophobicContact CE2-CB 3.61Å; Y194-A272 HydrophobicContact CE1-CB 4.39Å
195	S	88.1	Confident	88.7	Confident	19 Å²	19	29.5 Å²	29.5	13%	0.133	17%	0.169	C	C	.	.	H	α-helix	trans	-64.1	-50.8	177.3	64.5	0	0	0	0	112	D191 S192 L197 M198 D199	D191-S195 PolarHBondContact O-N 2.85Å; S192-S195 WeakPolarHBondContact CA-OG 3.4Å; S195-L197 VanDerWaalsContact C-N 3.33Å; S195-L197 PolarHBondContact O-N 3.49Å; S195-M198 PolarHBondContact O-N 3.27Å; S195-M198 VanDerWaalsContact O-N 3.16Å; S195-D199 WeakPolarHBondContact O-CB 3.41Å; S195-D199 VanDerWaalsContact O-CG 3.23Å; S195-D199 PolarHBondContact O-N 2.98Å
196	L	89.3	Confident	88.7	Confident	64 Å²	64	34.4 Å²	34.4	34%	0.335	19%	0.192	S	C	.	.	H	α-helix	trans	-62.1	-39.5	179.3	-66.1	174.1	0	0	0	112.6	P143 S192 A200	P143-L196 HydrophobicContact CB-CB 3.82Å; P143-L196 HydrophobicContact CB-CD1 4.37Å; P143-L196 HydrophobicContact CG-CB 4.14Å; S192-L196 VanDerWaalsContact O-CB 3.27Å; S192-L196 WeakPolarHBondContact O-CB 3.19Å; S192-L196 VanDerWaalsContact O-CG 3.25Å; S192-L196 WeakPolarHBondContact O-CG 3.07Å; S192-L196 PolarHBondContact O-N 3.06Å; S192-L196 VanDerWaalsContact O-N 3.1Å; L196-A200 WeakPolarHBondContact O-CB 3.48Å; L196-A200 PolarHBondContact O-N 3.38Å; L196-A200 VanDerWaalsContact O-N 3.07Å
197	L	89.3	Confident	88.8	Confident	7 Å²	7	43.9 Å²	43.9	4%	0.037	23%	0.228	C	C	.	.	H	α-helix	trans	-59.6	-48.7	174.9	173.6	87.1	0	0	0	111.2	P143 H164 Q167 I168 R193 S195 F201	P143-L197 HydrophobicContact CG-CB 4.24Å; H164-L197 HydrophobicContact CB-CD1 3.6Å; Q167-L197 HydrophobicContact CB-CD1 4.47Å; I168-L197 HydrophobicContact CG1-CD1 4.19Å; R193-L197 WeakPolarHBondContact O-CB 3.47Å; S195-L197 VanDerWaalsContact C-N 3.33Å; S195-L197 PolarHBondContact O-N 3.49Å; L197-F201 VanDerWaalsContact O-CB 3.28Å; L197-F201 WeakPolarHBondContact O-CB 3.48Å; L197-F201 PolarHBondContact O-N 2.69Å
198	M	90.6	Very high	89	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-73.9	-36	-175.7	-71.4	-59.7	-62.1	0	0	112	A185 V187 Y194 S195 F201 T202 V243	A185-M198 HydrophobicContact CB-CE 3.8Å; V187-M198 HydrophobicContact CB-CB 4.37Å; V187-M198 HydrophobicContact CG1-CB 4.03Å; V187-M198 HydrophobicContact CG1-CG 4.39Å; V187-M198 HydrophobicContact CG2-CB 3.51Å; V187-M198 HydrophobicContact CG2-CE 4.44Å; V187-M198 HydrophobicContact CG2-CG 3.96Å; Y194-M198 WeakPolarHBondContact O-CB 3.25Å; Y194-M198 VanDerWaalsContact O-CG 3.26Å; Y194-M198 WeakPolarHBondContact O-CG 2.92Å; Y194-M198 PolarHBondContact O-N 3.26Å; S195-M198 PolarHBondContact O-N 3.27Å; S195-M198 VanDerWaalsContact O-N 3.16Å; M198-F201 HydrophobicContact CE-CD1 3.87Å; M198-F201 HydrophobicContact CE-CE1 4.28Å; M198-F201 WeakPolarHBondContact O-CB 3.37Å; M198-F201 PolarHBondContact O-N 3.09Å; M198-F201 HydrophobicContact SD-CD1 4.26Å; M198-T202 WeakPolarHBondContact O-CG2 3.43Å; M198-T202 PolarHBondContact O-N 2.88Å; M198-T202 PolarHBondContact O-OG1 3.24Å; M198-V243 HydrophobicContact CE-CB 4.34Å; M198-V243 HydrophobicContact CE-CG1 4.04Å; M198-V243 WeakPolarHBondContact CE-O 3.48Å; M198-V243 HydrophobicContact SD-CG1 4.38Å
199	D	89.9	Confident	89.2	Confident	83 Å²	83	52.9 Å²	52.9	44%	0.444	27%	0.269	S	S	.	.	H	α-helix	trans	-63.8	-43.3	174.9	-72.2	-12.4	0	0	0	111.4	S195 T202 T203	S195-D199 WeakPolarHBondContact O-CB 3.41Å; S195-D199 VanDerWaalsContact O-CG 3.23Å; S195-D199 PolarHBondContact O-N 2.98Å; D199-T202 PolarHBondContact O-OG1 2.71Å; D199-T203 VanDerWaalsContact O-CB 3.24Å; D199-T203 WeakPolarHBondContact O-CB 3.49Å; D199-T203 PolarHBondContact O-N 3.47Å; D199-T203 VanDerWaalsContact O-N 3.08Å; D199-T203 PolarHBondContact O-OG1 2.84Å
200	A	90.5	Very high	89.4	Confident	35 Å²	35	55.4 Å²	55.4	29%	0.289	28%	0.283	S	S	.	.	H	α-helix	trans	-63.8	-44.4	173.1	0	0	0	0	0	111.2	I168 L196 T203 T204	I168-A200 HydrophobicContact CD1-CB 3.68Å; L196-A200 WeakPolarHBondContact O-CB 3.48Å; L196-A200 PolarHBondContact O-N 3.38Å; L196-A200 VanDerWaalsContact O-N 3.07Å; A200-T203 PolarHBondContact O-N 2.92Å; A200-T204 WeakPolarHBondContact O-CB 3.3Å; A200-T204 PolarHBondContact O-N 2.96Å; A200-T204 PolarHBondContact O-OG1 3.46Å
201	F	92.5	Very high	89.9	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.4	-49.7	178.5	171.4	-109.3	0	0	0	113.4	I168 R171 I172 L175 L197 M198 T204 L205 V243	I168-F201 HydrophobicContact CG1-CB 4.16Å; I168-F201 HydrophobicContact CG2-CD2 4.24Å; R171-F201 HydrophobicContact CB-CD2 4.14Å; R171-F201 HydrophobicContact CB-CE2 3.46Å; R171-F201 VanDerWaalsContact CB-CE2 3.46Å; R171-F201 HydrophobicContact CB-CZ 4.07Å; R171-F201 HydrophobicContact CG-CE2 4.39Å; I172-F201 HydrophobicContact CG1-CD2 4.21Å; I172-F201 HydrophobicContact CG1-CE2 3.94Å; L175-F201 HydrophobicContact CD1-CE2 4.41Å; L175-F201 HydrophobicContact CD1-CZ 3.88Å; L197-F201 VanDerWaalsContact O-CB 3.28Å; L197-F201 WeakPolarHBondContact O-CB 3.48Å; L197-F201 PolarHBondContact O-N 2.69Å; M198-F201 HydrophobicContact CE-CD1 3.87Å; M198-F201 HydrophobicContact CE-CE1 4.28Å; M198-F201 WeakPolarHBondContact O-CB 3.37Å; M198-F201 PolarHBondContact O-N 3.09Å; M198-F201 HydrophobicContact SD-CD1 4.26Å; F201-T204 PolarHBondContact O-N 3.02Å; F201-L205 HydrophobicContact CD1-CD1 4.01Å; F201-L205 HydrophobicContact CD2-CD1 4.27Å; F201-L205 HydrophobicContact CD2-CG 4.3Å; F201-L205 HydrophobicContact CE1-CD1 3.38Å; F201-L205 HydrophobicContact CE1-CG 4.39Å; F201-L205 HydrophobicContact CE2-CD1 3.68Å; F201-L205 HydrophobicContact CE2-CD2 4.35Å; F201-L205 HydrophobicContact CE2-CG 3.92Å; F201-L205 HydrophobicContact CG-CD1 4.43Å; F201-L205 HydrophobicContact CZ-CD1 3.23Å; F201-L205 HydrophobicContact CZ-CG 4Å; F201-L205 WeakPolarHBondContact O-CB 3.44Å; F201-L205 WeakPolarHBondContact O-CG 3.32Å; F201-L205 PolarHBondContact O-N 3.29Å; F201-V243 HydrophobicContact CD1-CG1 4.38Å; F201-V243 HydrophobicContact CE1-CB 3.94Å; F201-V243 HydrophobicContact CE1-CG1 3.64Å; F201-V243 HydrophobicContact CE1-CG2 4.1Å; F201-V243 HydrophobicContact CZ-CB 4.36Å; F201-V243 HydrophobicContact CZ-CG1 3.93Å; F201-V243 HydrophobicContact CZ-CG2 4.11Å
202	T	92.5	Very high	90.3	Very high	13 Å²	13	52.4 Å²	52.4	8%	0.08	27%	0.274	C	S	.	.	H	α-helix	trans	-65.2	-42	-180	52.3	0	0	0	0	110.9	A185 M198 D199 T204 L205 E206 V213	A185-T202 HydrophobicContact CB-CG2 3.72Å; M198-T202 WeakPolarHBondContact O-CG2 3.43Å; M198-T202 PolarHBondContact O-N 2.88Å; M198-T202 PolarHBondContact O-OG1 3.24Å; D199-T202 PolarHBondContact O-OG1 2.71Å; T202-T204 PolarHBondContact O-N 3.49Å; T202-L205 PolarHBondContact O-N 2.72Å; T202-E206 WeakPolarHBondContact O-CG 3.36Å; T202-E206 PolarHBondContact O-N 3.12Å; T202-V213 HydrophobicContact CG2-CG1 4.12Å; T202-V213 HydrophobicContact CG2-CG2 4.19Å
203	T	91.5	Very high	90.4	Very high	50 Å²	50	50.6 Å²	50.6	31%	0.307	26%	0.26	S	S	.	.	H	α-helix	trans	-59.9	-46.4	175.7	-59.6	0	0	0	0	112	D199 A200 R207	D199-T203 VanDerWaalsContact O-CB 3.24Å; D199-T203 WeakPolarHBondContact O-CB 3.49Å; D199-T203 PolarHBondContact O-N 3.47Å; D199-T203 VanDerWaalsContact O-N 3.08Å; D199-T203 PolarHBondContact O-OG1 2.84Å; A200-T203 PolarHBondContact O-N 2.92Å; T203-R207 HydrophobicContact CG2-CG 4.41Å; T203-R207 VanDerWaalsContact O-CB 3.32Å; T203-R207 WeakPolarHBondContact O-CB 3.43Å; T203-R207 WeakPolarHBondContact O-CG 3.41Å; T203-R207 PolarHBondContact O-N 3.04Å
204	T	92.2	Very high	90.2	Very high	31 Å²	31	52.1 Å²	52.1	19%	0.19	27%	0.27	C	S	.	.	H	α-helix	trans	-65.7	-40.4	177.7	-60.1	0	0	0	0	111.6	I172 A200 F201 T202 E208	I172-T204 HydrophobicContact CD1-CG2 3.52Å; A200-T204 WeakPolarHBondContact O-CB 3.3Å; A200-T204 PolarHBondContact O-N 2.96Å; A200-T204 PolarHBondContact O-OG1 3.46Å; F201-T204 PolarHBondContact O-N 3.02Å; T202-T204 PolarHBondContact O-N 3.49Å; T204-E208 HydrophobicContact CG2-CB 4.4Å; T204-E208 HydrophobicContact CG2-CG 4.4Å; T204-E208 WeakPolarHBondContact O-CB 3.46Å; T204-E208 PolarHBondContact O-N 3.13Å
205	L	92.6	Very high	89.6	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-60.2	-47.6	177.5	-84.5	179.9	0	0	0	113	I172 L175 V183 F201 T202 H209 N210 V211	I172-L205 HydrophobicContact CG1-CD2 3.81Å; I172-L205 HydrophobicContact CG1-CG 4.28Å; L175-L205 HydrophobicContact CD1-CD1 4.13Å; L175-L205 HydrophobicContact CD1-CD2 4Å; V183-L205 HydrophobicContact CG2-CD1 3.96Å; F201-L205 HydrophobicContact CD1-CD1 4.01Å; F201-L205 HydrophobicContact CD2-CD1 4.27Å; F201-L205 HydrophobicContact CD2-CG 4.3Å; F201-L205 HydrophobicContact CE1-CD1 3.38Å; F201-L205 HydrophobicContact CE1-CG 4.39Å; F201-L205 HydrophobicContact CE2-CD1 3.68Å; F201-L205 HydrophobicContact CE2-CD2 4.35Å; F201-L205 HydrophobicContact CE2-CG 3.92Å; F201-L205 HydrophobicContact CG-CD1 4.43Å; F201-L205 HydrophobicContact CZ-CD1 3.23Å; F201-L205 HydrophobicContact CZ-CG 4Å; F201-L205 WeakPolarHBondContact O-CB 3.44Å; F201-L205 WeakPolarHBondContact O-CG 3.32Å; F201-L205 PolarHBondContact O-N 3.29Å; T202-L205 PolarHBondContact O-N 2.72Å; L205-H209 CarbonylContact O-C 3.54Å; L205-H209 PolarHBondContact O-N 3.09Å; L205-N210 PolarHBondContact O-N 2.69Å; L205-V211 HydrophobicContact CB-CB 4.34Å; L205-V211 HydrophobicContact CD2-CB 4.02Å; L205-V211 HydrophobicContact CD2-CG1 4.26Å; L205-V211 HydrophobicContact CD2-CG2 4.12Å; L205-V211 PolarHBondContact O-N 3Å
206	E	91.5	Very high	89.2	Confident	103 Å²	103	52.7 Å²	52.7	48%	0.481	28%	0.277	S	S	.	.	H	α-helix	trans	-71.7	-42.8	-177.6	-68.8	-174.4	148.4	0	0	111.8	T202 V213	T202-E206 WeakPolarHBondContact O-CG 3.36Å; T202-E206 PolarHBondContact O-N 3.12Å; E206-V213 HydrophobicContact CG-CB 4.31Å; E206-V213 HydrophobicContact CG-CG2 3.77Å; E206-V213 WeakPolarHBondContact OE1-CB 3.35Å
207	R	91.5	Very high	88.3	Confident	201 Å²	201	56.8 Å²	56.8	76%	0.758	29%	0.288	S	S	*	.	H	α-helix	trans	-80.7	-39.5	-173.8	-67.6	-176.3	-178.6	169	3.1	114	T203	T203-R207 HydrophobicContact CG2-CG 4.41Å; T203-R207 VanDerWaalsContact O-CB 3.32Å; T203-R207 WeakPolarHBondContact O-CB 3.43Å; T203-R207 WeakPolarHBondContact O-CG 3.41Å; T203-R207 PolarHBondContact O-N 3.04Å
208	E	91.1	Very high	87.6	Confident	134 Å²	134	57.1 Å²	57.1	63%	0.626	29%	0.293	S	S	*	.	H	α-helix	trans	-104.8	-21.6	-169.3	-60.9	179.2	-157.1	0	0	113.2	T204	T204-E208 HydrophobicContact CG2-CB 4.4Å; T204-E208 HydrophobicContact CG2-CG 4.4Å; T204-E208 WeakPolarHBondContact O-CB 3.46Å; T204-E208 PolarHBondContact O-N 3.13Å
209	H	90.4	Very high	87.1	Confident	58 Å²	58	57.3 Å²	57.3	27%	0.269	29%	0.294	S	S	.	.	H	α-helix	trans	-123.6	0	-171.8	-64.1	-54.9	0	0	0	115.5	I172 L205 V211	I172-H209 WeakPolarHBondContact CG2-CD2 3.4Å; I172-H209 WeakPolarHBondContact CG2-NE2 3.31Å; L205-H209 CarbonylContact O-C 3.54Å; L205-H209 PolarHBondContact O-N 3.09Å; H209-V211 HydrophobicContact CB-CG2 4.2Å; H209-V211 PolarHBondContact O-N 2.94Å
210	N	88.7	Confident	86.5	Confident	146 Å²	146	54.9 Å²	54.9	78%	0.781	28%	0.283	S	S	*	.			trans	53.4	32.8	-178.6	-63.9	-41	0	0	0	113.5	L205	L205-N210 PolarHBondContact O-N 2.69Å
211	V	90.6	Very high	85.6	Confident	8 Å²	8	55.8 Å²	55.8	5%	0.048	29%	0.287	C	S	.	.			trans	-94.1	123	174.2	176.8	0	0	0	0	108.1	T181 V183 L205 H209 V213	T181-V211 CarbonylContact O-C 3.58Å; T181-V211 WeakPolarHBondContact O-CA 3.45Å; T181-V211 WeakPolarHBondContact O-CG1 3.36Å; V183-V211 HydrophobicContact CG1-CG1 4.11Å; V183-V211 HydrophobicContact CG2-CG1 4.07Å; L205-V211 HydrophobicContact CB-CB 4.34Å; L205-V211 HydrophobicContact CD2-CB 4.02Å; L205-V211 HydrophobicContact CD2-CG1 4.26Å; L205-V211 HydrophobicContact CD2-CG2 4.12Å; L205-V211 PolarHBondContact O-N 3Å; H209-V211 HydrophobicContact CB-CG2 4.2Å; H209-V211 PolarHBondContact O-N 2.94Å; V211-V213 PolarHBondContact O-N 3.17Å
212	A	90.4	Very high	84.6	Confident	49 Å²	49	62.8 Å²	62.8	41%	0.405	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	121.6	-179.4	0	0	0	0	0	110.9	T181 K182 V183 L214	T181-A212 PolarHBondContact O-N 3.41Å; K182-A212 WeakPolarHBondContact CA-O 3.23Å; K182-A212 HydrophobicContact CG-CB 4.42Å; V183-A212 PolarHBondContact N-O 2.94Å; A212-L214 PolarHBondContact O-N 3.21Å
213	V	89.6	Confident	83.3	Confident	21 Å²	21	68.4 Å²	68.4	13%	0.127	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	103.7	170.6	-177.6	0	0	0	0	107.5	V183 A185 T202 E206 V211 A215	V183-V213 HydrophobicContact CG2-CG2 4.11Å; V183-V213 CarbonylContact O-C 3.58Å; V183-V213 WeakPolarHBondContact O-CA 3.2Å; A185-V213 HydrophobicContact CB-CG1 4.12Å; T202-V213 HydrophobicContact CG2-CG1 4.12Å; T202-V213 HydrophobicContact CG2-CG2 4.19Å; E206-V213 HydrophobicContact CG-CB 4.31Å; E206-V213 HydrophobicContact CG-CG2 3.77Å; E206-V213 WeakPolarHBondContact OE1-CB 3.35Å; V211-V213 PolarHBondContact O-N 3.17Å; V213-A215 VanDerWaalsContact CG1-O 3.25Å; V213-A215 WeakPolarHBondContact CG1-O 3.32Å; V213-A215 PolarHBondContact O-N 3.29Å
214	L	84.8	Confident	82.1	Confident	52 Å²	52	69.4 Å²	69.4	27%	0.272	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	-31.4	-178.8	-62	177.3	0	0	0	111.1	K182 V183 A212 K237 A239	K182-L214 HydrophobicContact CB-CD1 4.11Å; K182-L214 HydrophobicContact CB-CD2 4.38Å; K182-L214 HydrophobicContact CB-CG 4.2Å; K182-L214 HydrophobicContact CD-CD2 4.33Å; K182-L214 HydrophobicContact CG-CD2 4.37Å; V183-L214 PolarHBondContact O-N 3.14Å; A212-L214 PolarHBondContact O-N 3.21Å; L214-K237 WeakPolarHBondContact O-CD 3.35Å; L214-K237 WeakPolarHBondContact O-CE 3.5Å; L214-K237 PolarHBondContact O-NZ 3.09Å; L214-A239 HydrophobicContact CD1-CB 4.09Å
215	A	75	Confident	81.3	Confident	3 Å²	3	70.9 Å²	70.9	3%	0.025	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	132.1	-161.8	0	0	0	0	0	109.5	A185 V213 E233 K237	A185-A215 WeakPolarHBondContact CA-O 3.41Å; A185-A215 WeakPolarHBondContact CB-O 3.28Å; A185-A215 PolarHBondContact N-O 3.5Å; V213-A215 VanDerWaalsContact CG1-O 3.25Å; V213-A215 WeakPolarHBondContact CG1-O 3.32Å; V213-A215 PolarHBondContact O-N 3.29Å; A215-E233 WeakPolarHBondContact CA-OE2 3.37Å; A215-E233 HydrophobicContact CB-CB 3.59Å; A215-E233 HydrophobicContact CB-CG 4.21Å; A215-E233 WeakPolarHBondContact CB-O 3.32Å; A215-E233 WeakPolarHBondContact CB-OE2 3.15Å; A215-K237 HydrophobicContact CB-CD 3.82Å
216	S	78.5	Confident	80.7	Confident	47 Å²	47	70.9 Å²	70.9	33%	0.329	36%	0.361	S	S	.	.			trans	-145.4	28	177.3	-168.8	0	0	0	0	112.3	G218 E233	S216-G218 PolarHBondContact O-N 2.82Å; S216-E233 PolarHBondContact N-OE2 3.46Å
217	R	69.8	Low	80.3	Confident	151 Å²	151	71 Å²	71	57%	0.57	36%	0.36	S	S	*	.			trans	-74.9	125.9	-179.2	-162.2	-179.4	-173.7	165.6	1.5	110	E233	R217-E233 HydrophobicContact CB-CG 3.5Å; R217-E233 VanDerWaalsContact CB-OE1 3.31Å; R217-E233 WeakPolarHBondContact CB-OE1 3.21Å
218	G	75.5	Confident	80	Confident	14 Å²	14	64.6 Å²	64.6	14%	0.144	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	153.3	172.3	0	0	0	0	0	113.2	V187 N189 S216	V187-G218 CarbonylContact O-C 3.52Å; V187-G218 WeakPolarHBondContact O-CA 3.36Å; N189-G218 WeakPolarHBondContact ND2-CA 3.43Å; N189-G218 WeakPolarHBondContact OD1-CA 3.35Å; S216-G218 PolarHBondContact O-N 2.82Å
219	F	80.3	Confident	79.6	Confident	4 Å²	4	58.5 Å²	58.5	2%	0.018	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	150.9	174.2	62.7	-88	0	0	0	110.3	L186 V187 Q188 N189 I226 F246 T249 L253	L186-F219 HydrophobicContact CB-CE1 4.46Å; V187-F219 WeakPolarHBondContact O-CD1 3.4Å; V187-F219 WeakPolarHBondContact O-CE1 3.33Å; V187-F219 PolarHBondContact O-N 3.24Å; Q188-F219 HydrophobicContact CB-CE2 4.2Å; Q188-F219 HydrophobicContact CB-CZ 4.07Å; Q188-F219 HydrophobicContact CG-CE2 4.28Å; N189-F219 PolarHBondContact N-O 3.45Å; F219-I226 HydrophobicContact CD2-CG1 3.75Å; F219-I226 HydrophobicContact CE2-CG1 4.19Å; F219-I226 HydrophobicContact CG-CG1 4.41Å; F219-F246 HydrophobicContact CE1-CD1 4.13Å; F219-F246 HydrophobicContact CZ-CB 3.78Å; F219-F246 AromaticContact CZ-CD1 3.94Å; F219-F246 HydrophobicContact CZ-CD1 3.94Å; F219-F246 HydrophobicContact CZ-CG 4.11Å; F219-T249 HydrophobicContact CE2-CG2 4.22Å; F219-L253 HydrophobicContact CE1-CD1 3.84Å; F219-L253 HydrophobicContact CZ-CD1 3.71Å
220	S	77.7	Confident	79.4	Confident	31 Å²	31	55.8 Å²	55.8	22%	0.217	30%	0.303	C	S	.	.			trans	-86.9	159.5	164.9	-176.7	0	0	0	0	109.1	D190 K222	D190-S220 VanDerWaalsContact CG-OG 3.27Å; D190-S220 WeakPolarHBondContact OD1-CB 3.47Å; D190-S220 PolarHBondContact OD1-OG 2.94Å; D190-S220 WeakPolarHBondContact OD2-CA 3.5Å; D190-S220 PolarHBondContact OD2-OG 3.07Å; S220-K222 PolarHBondContact O-N 3.25Å
221	S	70.2	Confident	79.3	Confident	55 Å²	55	52.5 Å²	52.5	39%	0.385	28%	0.283	S	S	.	.	S	Bend	trans	-62.4	-5.5	-177.6	-46.6	0	0	0	0	113.5	Q188 D190	Q188-S221 PolarHBondContact NE2-OG 3.48Å; D190-S221 WeakPolarHBondContact OD2-CB 3.41Å; D190-S221 PolarHBondContact OD2-N 2.89Å; D190-S221 PolarHBondContact OD2-OG 3.15Å
222	K	72.2	Confident	78.9	Confident	147 Å²	147	56.7 Å²	56.7	64%	0.639	30%	0.302	S	S	*	.	S	Bend	trans	-70.1	128.2	173.8	-65.6	179.9	-177.1	173.9	0	110.9	S220 A224 D225 I226	S220-K222 PolarHBondContact O-N 3.25Å; K222-A224 VanDerWaalsContact C-N 3.25Å; K222-A224 PolarHBondContact O-N 3.29Å; K222-A224 VanDerWaalsContact O-N 3.1Å; K222-D225 PolarHBondContact O-N 3.16Å; K222-I226 PolarHBondContact O-N 3.43Å
223	K	65.1	Low	78.4	Confident	130 Å²	130	55.1 Å²	55.1	57%	0.565	29%	0.286	S	S	*	.	H	α-helix	trans	-52.2	-36.8	-177.7	-70.3	-175.6	178.8	179.2	0	114.7	D225 I226 K227	K223-D225 VanDerWaalsContact C-N 3.31Å; K223-D225 PolarHBondContact O-N 3.08Å; K223-I226 PolarHBondContact O-N 3.31Å; K223-K227 PolarHBondContact O-N 2.88Å
224	A	65.8	Low	78.2	Confident	71 Å²	71	54.1 Å²	54.1	59%	0.587	28%	0.28	S	S	*	.	H	α-helix	trans	-63.5	-38.6	-179	0	0	0	0	0	112	K222 I226 K227 T228	K222-A224 VanDerWaalsContact C-N 3.25Å; K222-A224 PolarHBondContact O-N 3.29Å; K222-A224 VanDerWaalsContact O-N 3.1Å; A224-I226 VanDerWaalsContact C-N 3.35Å; A224-K227 PolarHBondContact O-N 2.94Å; A224-T228 PolarHBondContact O-N 3.33Å; A224-T228 PolarHBondContact O-OG1 3.4Å
225	D	76.4	Confident	78.2	Confident	63 Å²	63	56.7 Å²	56.7	34%	0.337	29%	0.289	S	S	.	.	H	α-helix	trans	-73	-30.2	-178.8	-60.8	-24.5	0	0	0	111.5	K222 K223 T228 S229	K222-D225 PolarHBondContact O-N 3.16Å; K223-D225 VanDerWaalsContact C-N 3.31Å; K223-D225 PolarHBondContact O-N 3.08Å; D225-T228 WeakPolarHBondContact CA-OG1 3.23Å; D225-T228 PolarHBondContact O-OG1 2.89Å; D225-T228 VanDerWaalsContact O-OG1 3.06Å; D225-S229 VanDerWaalsContact O-CB 3.26Å; D225-S229 WeakPolarHBondContact O-CB 3.44Å; D225-S229 PolarHBondContact O-N 2.77Å; D225-S229 PolarHBondContact O-OG 3.07Å
226	I	79.9	Confident	78.8	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-63.6	-47.9	175.9	-60.3	174.5	0	0	0	110.8	F219 K222 K223 A224 S229 L230 T249 A252 L253 Q256	F219-I226 HydrophobicContact CD2-CG1 3.75Å; F219-I226 HydrophobicContact CE2-CG1 4.19Å; F219-I226 HydrophobicContact CG-CG1 4.41Å; K222-I226 PolarHBondContact O-N 3.43Å; K223-I226 PolarHBondContact O-N 3.31Å; A224-I226 VanDerWaalsContact C-N 3.35Å; I226-S229 PolarHBondContact O-N 3.12Å; I226-L230 HydrophobicContact CG2-CD1 4.1Å; I226-L230 WeakPolarHBondContact O-CG 3.34Å; I226-L230 PolarHBondContact O-N 2.98Å; I226-T249 HydrophobicContact CD1-CG2 3.64Å; I226-A252 HydrophobicContact CD1-CB 3.84Å; I226-L253 HydrophobicContact CG2-CB 4.21Å; I226-L253 HydrophobicContact CG2-CG 4.25Å; I226-Q256 HydrophobicContact CG2-CB 4.25Å; I226-Q256 HydrophobicContact CG2-CG 4.13Å
227	K	83.3	Confident	79.1	Confident	106 Å²	106	63.5 Å²	63.5	46%	0.461	32%	0.321	S	S	.	.	H	α-helix	trans	-64.3	-46.6	-177.5	-176.2	-177.9	174	-173.5	0	111.4	K223 A224 L230 E231 M260	K223-K227 PolarHBondContact O-N 2.88Å; A224-K227 PolarHBondContact O-N 2.94Å; K227-L230 PolarHBondContact O-N 3.34Å; K227-E231 WeakPolarHBondContact O-CB 3.46Å; K227-E231 PolarHBondContact O-N 3.49Å; K227-M260 HydrophobicContact CG-SD 4.28Å
228	T	84.3	Confident	79.8	Confident	65 Å²	65	58.2 Å²	58.2	40%	0.399	30%	0.304	S	S	.	.	H	α-helix	trans	-64.8	-41.2	179.8	52.1	0	0	0	0	111.4	A224 D225 E231 H232	A224-T228 PolarHBondContact O-N 3.33Å; A224-T228 PolarHBondContact O-OG1 3.4Å; D225-T228 WeakPolarHBondContact CA-OG1 3.23Å; D225-T228 PolarHBondContact O-OG1 2.89Å; D225-T228 VanDerWaalsContact O-OG1 3.06Å; T228-E231 PolarHBondContact O-N 3.43Å; T228-H232 PolarHBondContact O-CD2 3.47Å; T228-H232 VanDerWaalsContact O-CD2 3.25Å; T228-H232 PolarHBondContact O-N 2.9Å
229	S	83.9	Confident	80.4	Confident	6 Å²	6	57.6 Å²	57.6	4%	0.042	30%	0.297	C	S	.	.	H	α-helix	trans	-63.2	-44.6	175.2	-69.5	0	0	0	0	112.3	D225 I226 E231 E233	D225-S229 VanDerWaalsContact O-CB 3.26Å; D225-S229 WeakPolarHBondContact O-CB 3.44Å; D225-S229 PolarHBondContact O-N 2.77Å; D225-S229 PolarHBondContact O-OG 3.07Å; I226-S229 PolarHBondContact O-N 3.12Å; S229-E231 VanDerWaalsContact C-N 3.28Å; S229-E231 PolarHBondContact O-N 3.31Å; S229-E233 WeakPolarHBondContact O-CB 3.38Å; S229-E233 WeakPolarHBondContact O-CG 3.32Å; S229-E233 PolarHBondContact O-N 3.35Å
230	L	86.3	Confident	80.9	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.01	30%	0.298	C	S	.	.	I	π-helix	trans	-61.7	-36.5	175	-72.1	174.7	0	0	0	112.5	L186 I226 K227 I234 K235 L253 Q256 A257 M260 L262 W269	L186-L230 HydrophobicContact CD1-CD2 3.76Å; I226-L230 HydrophobicContact CG2-CD1 4.1Å; I226-L230 WeakPolarHBondContact O-CG 3.34Å; I226-L230 PolarHBondContact O-N 2.98Å; K227-L230 PolarHBondContact O-N 3.34Å; L230-I234 HydrophobicContact CD2-CG1 4.13Å; L230-I234 WeakPolarHBondContact O-CB 3.49Å; L230-I234 PolarHBondContact O-N 2.92Å; L230-K235 PolarHBondContact O-N 2.98Å; L230-L253 HydrophobicContact CD1-CG 4.5Å; L230-L253 HydrophobicContact CD2-CD2 4.41Å; L230-Q256 HydrophobicContact CD1-CB 3.56Å; L230-A257 HydrophobicContact CD1-CB 4.46Å; L230-M260 HydrophobicContact CB-CE 4.19Å; L230-M260 HydrophobicContact CB-SD 3.89Å; L230-M260 HydrophobicContact CD1-SD 4.47Å; L230-L262 HydrophobicContact CB-CD1 4.06Å; L230-L262 HydrophobicContact CD2-CD1 4.31Å; L230-W269 HydrophobicContact CD2-CH2 3.9Å
231	E	85.6	Confident	81.6	Confident	77 Å²	77	56.3 Å²	56.3	36%	0.36	29%	0.287	S	S	.	.	I	π-helix	trans	-69.6	-52.3	-179.9	-170.4	162.6	-161.9	0	0	111.7	K227 T228 S229 K235 V236 M260	K227-E231 WeakPolarHBondContact O-CB 3.46Å; K227-E231 PolarHBondContact O-N 3.49Å; T228-E231 PolarHBondContact O-N 3.43Å; S229-E231 VanDerWaalsContact C-N 3.28Å; S229-E231 PolarHBondContact O-N 3.31Å; E231-K235 WeakPolarHBondContact O-CB 3.48Å; E231-K235 PolarHBondContact O-N 2.97Å; E231-V236 WeakPolarHBondContact O-CB 3.27Å; E231-V236 VanDerWaalsContact O-CG2 3.3Å; E231-V236 WeakPolarHBondContact O-CG2 3.41Å; E231-V236 PolarHBondContact O-N 3.45Å; E231-M260 VanDerWaalsContact CA-CE 3.48Å; E231-M260 HydrophobicContact CB-CE 3.61Å; E231-M260 HydrophobicContact CG-CE 4.15Å
232	H	83.1	Confident	82.7	Confident	96 Å²	96	53.7 Å²	53.7	44%	0.444	27%	0.269	S	S	.	.	I	π-helix	trans	-76.1	-38.2	-175.5	-75.1	-71.9	0	0	0	113.4	T228 K237	T228-H232 PolarHBondContact O-CD2 3.47Å; T228-H232 VanDerWaalsContact O-CD2 3.25Å; T228-H232 PolarHBondContact O-N 2.9Å; H232-K237 WeakPolarHBondContact O-CG 3.35Å
233	E	79.8	Confident	83.7	Confident	16 Å²	16	46.7 Å²	46.7	8%	0.075	24%	0.239	C	C	.	.	I	π-helix	trans	-89.2	-35.7	-174.3	-61.4	-50.7	130.8	0	0	113	L186 A215 S216 R217 S229 K237	L186-E233 HydrophobicContact CD2-CB 4.46Å; A215-E233 WeakPolarHBondContact CA-OE2 3.37Å; A215-E233 HydrophobicContact CB-CB 3.59Å; A215-E233 HydrophobicContact CB-CG 4.21Å; A215-E233 WeakPolarHBondContact CB-O 3.32Å; A215-E233 WeakPolarHBondContact CB-OE2 3.15Å; S216-E233 PolarHBondContact N-OE2 3.46Å; R217-E233 HydrophobicContact CB-CG 3.5Å; R217-E233 VanDerWaalsContact CB-OE1 3.31Å; R217-E233 WeakPolarHBondContact CB-OE1 3.21Å; S229-E233 WeakPolarHBondContact O-CB 3.38Å; S229-E233 WeakPolarHBondContact O-CG 3.32Å; S229-E233 PolarHBondContact O-N 3.35Å; E233-K237 IonicContact OE1-NZ 3.35Å; E233-K237 IonicContact OE2-NZ 3.61Å; E233-K237 PolarHBondContact OE2-NZ 3.3Å
234	I	84.7	Confident	84.8	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.212	C	C	.	.	I	π-helix	trans	-102	-57.4	-175.7	-51.9	-55.1	0	0	0	111	L186 L230 D238 A239 I242 L262	L186-I234 HydrophobicContact CD1-CD1 4.14Å; L186-I234 HydrophobicContact CD1-CG1 4.12Å; L186-I234 HydrophobicContact CD2-CD1 4.17Å; L186-I234 HydrophobicContact CD2-CG1 4.25Å; L186-I234 HydrophobicContact CG-CD1 4.07Å; L186-I234 HydrophobicContact CG-CG1 4.42Å; L230-I234 HydrophobicContact CD2-CG1 4.13Å; L230-I234 WeakPolarHBondContact O-CB 3.49Å; L230-I234 PolarHBondContact O-N 2.92Å; I234-D238 WeakPolarHBondContact O-CA 3.24Å; I234-D238 PolarHBondContact O-N 3.12Å; I234-D238 VanDerWaalsContact O-N 3.09Å; I234-A239 HydrophobicContact CD1-CB 4.05Å; I234-A239 HydrophobicContact CG2-CB 4.39Å; I234-A239 WeakPolarHBondContact CG2-O 3.17Å; I234-A239 PolarHBondContact O-N 3.5Å; I234-I242 HydrophobicContact CD1-CD1 4.3Å; I234-I242 HydrophobicContact CD1-CG1 4.1Å; I234-I242 HydrophobicContact CD1-CG2 3.98Å; I234-I242 HydrophobicContact CG1-CD1 4.42Å; I234-I242 HydrophobicContact CG2-CD1 3.53Å; I234-I242 HydrophobicContact CG2-CG1 4.22Å; I234-L262 HydrophobicContact CB-CD1 4.15Å; I234-L262 HydrophobicContact CG2-CD1 4.01Å; I234-L262 HydrophobicContact CG2-CD2 3.95Å; I234-L262 HydrophobicContact CG2-CG 4.47Å
235	K	85.8	Confident	85.9	Confident	106 Å²	106	37.1 Å²	37.1	46%	0.461	18%	0.184	S	C	.	.	I	π-helix	trans	-71.6	-48	-169.7	-170	175.9	179.3	179.6	0	113	L230 E231 M260 L262	L230-K235 PolarHBondContact O-N 2.98Å; E231-K235 WeakPolarHBondContact O-CB 3.48Å; E231-K235 PolarHBondContact O-N 2.97Å; K235-M260 HydrophobicContact CB-CE 4.36Å; K235-M260 HydrophobicContact CD-CE 3.95Å; K235-L262 HydrophobicContact CB-CD2 4.18Å; K235-L262 HydrophobicContact CG-CD2 4.46Å
236	V	85.8	Confident	86.2	Confident	104 Å²	104	34.3 Å²	34.3	63%	0.63	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-35.6	-178.6	169.4	0	0	0	0	111.5	E231	E231-V236 WeakPolarHBondContact O-CB 3.27Å; E231-V236 VanDerWaalsContact O-CG2 3.3Å; E231-V236 WeakPolarHBondContact O-CG2 3.41Å; E231-V236 PolarHBondContact O-N 3.45Å
237	K	85.3	Confident	86.1	Confident	89 Å²	89	35.8 Å²	35.8	39%	0.387	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-0.5	-178.8	-63.2	-177.2	-179.3	175	0	114.5	L214 A215 H232 E233 A239	L214-K237 WeakPolarHBondContact O-CD 3.35Å; L214-K237 WeakPolarHBondContact O-CE 3.5Å; L214-K237 PolarHBondContact O-NZ 3.09Å; A215-K237 HydrophobicContact CB-CD 3.82Å; H232-K237 WeakPolarHBondContact O-CG 3.35Å; E233-K237 IonicContact OE1-NZ 3.35Å; E233-K237 IonicContact OE2-NZ 3.61Å; E233-K237 PolarHBondContact OE2-NZ 3.3Å; K237-A239 VanDerWaalsContact C-N 3.32Å; K237-A239 PolarHBondContact O-N 3Å
238	D	84.9	Confident	85.2	Confident	40 Å²	40	34.7 Å²	34.7	21%	0.214	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	44.3	-175.3	-168.1	51.1	0	0	0	113.4	I234 R240 T444	I234-D238 WeakPolarHBondContact O-CA 3.24Å; I234-D238 PolarHBondContact O-N 3.12Å; I234-D238 VanDerWaalsContact O-N 3.09Å; D238-R240 PolarHBondContact O-N 3.24Å; D238-R240 IonicContact OD1-NE 3.52Å; D238-R240 IonicContact OD2-NE 2.66Å; D238-R240 PolarHBondContact OD2-NE 2.94Å; D238-T444 WeakPolarHBondContact OD2-CG2 3.44Å; D238-T444 PolarHBondContact OD2-N 3.12Å; D238-T444 PolarHBondContact OD2-OG1 3.47Å
239	A	88.5	Confident	84.5	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.169	C	C	.	.			trans	-76.3	111.6	176.5	0	0	0	0	0	110.4	L214 I234 K237	L214-A239 HydrophobicContact CD1-CB 4.09Å; I234-A239 HydrophobicContact CD1-CB 4.05Å; I234-A239 HydrophobicContact CG2-CB 4.39Å; I234-A239 WeakPolarHBondContact CG2-O 3.17Å; I234-A239 PolarHBondContact O-N 3.5Å; K237-A239 VanDerWaalsContact C-N 3.32Å; K237-A239 PolarHBondContact O-N 3Å
240	R	89.9	Confident	84.1	Confident	8 Å²	8	32.6 Å²	32.6	3%	0.03	17%	0.169	C	C	.	.			trans	-93.1	-33.7	-177.2	-68.7	179.9	177	-129.4	-8.4	113.7	D238 E266 Y267 V268 A441 A612 N613	D238-R240 PolarHBondContact O-N 3.24Å; D238-R240 IonicContact OD1-NE 3.52Å; D238-R240 IonicContact OD2-NE 2.66Å; D238-R240 PolarHBondContact OD2-NE 2.94Å; R240-E266 WeakPolarHBondContact CB-O 3.35Å; R240-Y267 CarbonylContact O-C 3.55Å; R240-Y267 WeakPolarHBondContact O-CA 3.49Å; R240-V268 PolarHBondContact O-N 3.24Å; R240-A441 VanDerWaalsContact CD-O 3.27Å; R240-A441 WeakPolarHBondContact CD-O 3.5Å; R240-A612 PolarHBondContact NH1-O 3.13Å; R240-A612 VanDerWaalsContact NH1-O 3.13Å; R240-A612 PolarHBondContact NH2-O 3.3Å; R240-N613 PolarHBondContact NH1-OD1 3.43Å
241	I	93.6	Very high	83.7	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	112.3	175.3	-49.9	-55.3	0	0	0	108.2	L175 W180 V183 G184 V268 I270 P440 D442	L175-I241 HydrophobicContact CD2-CG2 3.76Å; W180-I241 HydrophobicContact CB-CG1 4.26Å; W180-I241 HydrophobicContact CD2-CD1 3.66Å; W180-I241 HydrophobicContact CD2-CG1 3.76Å; W180-I241 HydrophobicContact CD2-CG2 4.21Å; W180-I241 VanDerWaalsContact CE2-CD1 3.43Å; W180-I241 HydrophobicContact CE3-CD1 4.12Å; W180-I241 HydrophobicContact CE3-CG1 4.2Å; W180-I241 HydrophobicContact CE3-CG2 3.78Å; W180-I241 HydrophobicContact CG-CD1 4.11Å; W180-I241 HydrophobicContact CG-CG1 3.79Å; W180-I241 HydrophobicContact CH2-CD1 4.15Å; W180-I241 HydrophobicContact CZ2-CD1 3.7Å; W180-I241 HydrophobicContact CZ3-CD1 4.35Å; W180-I241 HydrophobicContact CZ3-CG2 4.15Å; V183-I241 CarbonylContact C-O 3.55Å; V183-I241 WeakPolarHBondContact CA-O 3.14Å; V183-I241 HydrophobicContact CG1-CB 4.25Å; V183-I241 HydrophobicContact CG1-CG2 4.05Å; G184-I241 PolarHBondContact N-O 3.26Å; I241-V268 HydrophobicContact CD1-CB 3.91Å; I241-V268 HydrophobicContact CD1-CG2 3.85Å; I241-I270 HydrophobicContact CG2-CD1 4.27Å; I241-P440 HydrophobicContact CD1-CG 4.36Å; I241-D442 HydrophobicContact CG1-CB 4.18Å
242	I	93	Very high	83.4	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	118.7	-169.6	-52.1	168.7	0	0	0	109.1	G184 L186 I234 Y267 V268 W269 I270	G184-I242 CarbonylContact O-C 3.57Å; G184-I242 WeakPolarHBondContact O-CA 3.5Å; L186-I242 HydrophobicContact CD1-CG2 3.66Å; L186-I242 HydrophobicContact CG-CG2 4.14Å; I234-I242 HydrophobicContact CD1-CD1 4.3Å; I234-I242 HydrophobicContact CD1-CG1 4.1Å; I234-I242 HydrophobicContact CD1-CG2 3.98Å; I234-I242 HydrophobicContact CG1-CD1 4.42Å; I234-I242 HydrophobicContact CG2-CD1 3.53Å; I234-I242 HydrophobicContact CG2-CG1 4.22Å; I242-Y267 HydrophobicContact CD1-CD1 4.15Å; I242-V268 PolarHBondContact N-O 2.81Å; I242-W269 HydrophobicContact CB-CD2 4.11Å; I242-W269 HydrophobicContact CB-CE3 3.99Å; I242-W269 HydrophobicContact CB-CZ3 4.23Å; I242-W269 HydrophobicContact CD1-CD2 4.07Å; I242-W269 HydrophobicContact CD1-CE3 4.46Å; I242-W269 HydrophobicContact CD1-CH2 3.88Å; I242-W269 HydrophobicContact CD1-CZ2 3.42Å; I242-W269 VanDerWaalsContact CD1-CZ2 3.42Å; I242-W269 HydrophobicContact CD1-CZ3 4.39Å; I242-W269 HydrophobicContact CG2-CD2 4.23Å; I242-W269 HydrophobicContact CG2-CE3 3.64Å; I242-W269 HydrophobicContact CG2-CH2 3.88Å; I242-W269 HydrophobicContact CG2-CZ2 4.45Å; I242-W269 HydrophobicContact CG2-CZ3 3.45Å; I242-W269 VanDerWaalsContact CG2-CZ3 3.45Å; I242-W269 CarbonylContact O-C 3.27Å; I242-W269 WeakPolarHBondContact O-CA 3.35Å; I242-I270 PolarHBondContact O-N 2.88Å
243	V	93	Very high	83.4	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.006	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	119.5	177.3	-172.2	0	0	0	0	109.2	G184 A185 L186 M198 F201 I270	G184-V243 PolarHBondContact O-N 2.82Å; A185-V243 WeakPolarHBondContact CA-O 3.2Å; L186-V243 PolarHBondContact N-O 3.39Å; M198-V243 HydrophobicContact CE-CB 4.34Å; M198-V243 HydrophobicContact CE-CG1 4.04Å; M198-V243 WeakPolarHBondContact CE-O 3.48Å; M198-V243 HydrophobicContact SD-CG1 4.38Å; F201-V243 HydrophobicContact CD1-CG1 4.38Å; F201-V243 HydrophobicContact CE1-CB 3.94Å; F201-V243 HydrophobicContact CE1-CG1 3.64Å; F201-V243 HydrophobicContact CE1-CG2 4.1Å; F201-V243 HydrophobicContact CZ-CB 4.36Å; F201-V243 HydrophobicContact CZ-CG1 3.93Å; F201-V243 HydrophobicContact CZ-CG2 4.11Å; V243-I270 CarbonylContact C-O 3.58Å; V243-I270 WeakPolarHBondContact CA-O 3.5Å; V243-I270 HydrophobicContact CG2-CB 4.39Å; V243-I270 HydrophobicContact CG2-CD1 4.31Å
244	G	88.8	Confident	83.6	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	130	-173.9	0	0	0	0	0	113.4	L186 I270	L186-G244 WeakPolarHBondContact O-CA 3.48Å; G244-I270 PolarHBondContact N-O 3.21Å
245	G	87.3	Confident	83.5	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	100.7	165.1	0	0	0	0	0	110.2	L186 Q188 Y194	L186-G245 PolarHBondContact O-N 3.39Å; Q188-G245 PolarHBondContact N-O 3.26Å; Y194-G245 WeakPolarHBondContact CB-O 3.43Å
246	F	83.1	Confident	83.5	Confident	3 Å²	3	23.2 Å²	23.2	1%	0.013	13%	0.13	C	C	.	.			trans	-158.6	163.4	179.2	44.2	-107.8	0	0	0	111.7	Q188 Y194 F219 F250 L253 I271	Q188-F246 HydrophobicContact CB-CB 3.87Å; Y194-F246 VanDerWaalsContact CD1-N 3.33Å; Y194-F246 VanDerWaalsContact CE1-O 3.32Å; Y194-F246 WeakPolarHBondContact CE1-O 3.4Å; F219-F246 HydrophobicContact CE1-CD1 4.13Å; F219-F246 HydrophobicContact CZ-CB 3.78Å; F219-F246 AromaticContact CZ-CD1 3.94Å; F219-F246 HydrophobicContact CZ-CD1 3.94Å; F219-F246 HydrophobicContact CZ-CG 4.11Å; F246-F250 HydrophobicContact CD2-CB 4Å; F246-F250 HydrophobicContact CD2-CD2 4.12Å; F246-F250 HydrophobicContact CD2-CG 4.37Å; F246-F250 HydrophobicContact CE2-CB 3.83Å; F246-F250 AromaticContact CE2-CD2 3.14Å; F246-F250 HydrophobicContact CE2-CD2 3.14Å; F246-F250 AromaticContact CE2-CE2 3.83Å; F246-F250 HydrophobicContact CE2-CE2 3.83Å; F246-F250 AromaticContact CE2-CG 3.68Å; F246-F250 HydrophobicContact CE2-CG 3.68Å; F246-F250 AromaticContact CZ-CD2 3.63Å; F246-F250 HydrophobicContact CZ-CD2 3.63Å; F246-F250 AromaticContact CZ-CE2 3.95Å; F246-F250 HydrophobicContact CZ-CE2 3.95Å; F246-L253 HydrophobicContact CD1-CD1 3.82Å; F246-L253 HydrophobicContact CE1-CD1 3.6Å; F246-L253 HydrophobicContact CG-CD1 4.44Å; F246-L253 HydrophobicContact CZ-CD1 4.11Å; F246-L253 HydrophobicContact CZ-CD2 4.43Å; F246-I271 HydrophobicContact CE1-CG2 4.49Å; F246-I271 HydrophobicContact CE2-CG2 4.08Å; F246-I271 HydrophobicContact CZ-CB 4.43Å; F246-I271 HydrophobicContact CZ-CG2 3.59Å
247	N	78.1	Confident	83.6	Confident	33 Å²	33	18.5 Å²	18.5	18%	0.176	10%	0.101	C	C	.	.	S	Bend	trans	-93.8	-148.1	-176.5	69.3	15	0	0	0	113.2	Q188 Y194 T249 F250 H275	Q188-N247 PolarHBondContact NE2-ND2 2.93Å; Q188-N247 PolarHBondContact NE2-OD1 3.39Å; Q188-N247 VanDerWaalsContact NE2-OD1 3.08Å; Q188-N247 PolarHBondContact OE1-OD1 3.17Å; Y194-N247 HydrophobicContact CD2-CB 4.46Å; Y194-N247 HydrophobicContact CE2-CB 3.61Å; N247-T249 PolarHBondContact O-N 3.01Å; N247-T249 PolarHBondContact OD1-N 3.49Å; N247-T249 PolarHBondContact OD1-OG1 3.41Å; N247-F250 PolarHBondContact O-N 2.93Å; N247-H275 PolarHBondContact O-CE1 3.25Å
248	S	65.5	Low	83.8	Confident	83 Å²	83	16.5 Å²	16.5	58%	0.58	9%	0.092	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	-12.8	175.8	53.6	0	0	0	0	115.2	F250	S248-F250 PolarHBondContact O-N 3.04Å; S248-F250 VanDerWaalsContact O-N 3.09Å
249	T	69.4	Low	83.8	Confident	21 Å²	21	19.7 Å²	19.7	13%	0.129	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-9.9	171	-44.8	0	0	0	0	113.1	Q188 F219 I226 N247 Y251 A252 L253	Q188-T249 PolarHBondContact NE2-OG1 3.34Å; F219-T249 HydrophobicContact CE2-CG2 4.22Å; I226-T249 HydrophobicContact CD1-CG2 3.64Å; N247-T249 PolarHBondContact O-N 3.01Å; N247-T249 PolarHBondContact OD1-N 3.49Å; N247-T249 PolarHBondContact OD1-OG1 3.41Å; T249-Y251 PolarHBondContact O-N 3.48Å; T249-Y251 VanDerWaalsContact O-N 3.1Å; T249-A252 HydrophobicContact CG2-CB 4.4Å; T249-A252 PolarHBondContact O-N 2.87Å; T249-L253 PolarHBondContact O-N 3.33Å
250	F	74.7	Confident	83.7	Confident	5 Å²	5	20.6 Å²	20.6	2%	0.022	11%	0.11	C	C	.	.	H	α-helix	trans	-49.1	-39.8	179.5	-173.9	-145	0	0	0	113.7	F246 N247 S248 A252 L253 V254 I271 H275 W279	F246-F250 HydrophobicContact CD2-CB 4Å; F246-F250 HydrophobicContact CD2-CD2 4.12Å; F246-F250 HydrophobicContact CD2-CG 4.37Å; F246-F250 HydrophobicContact CE2-CB 3.83Å; F246-F250 AromaticContact CE2-CD2 3.14Å; F246-F250 HydrophobicContact CE2-CD2 3.14Å; F246-F250 AromaticContact CE2-CE2 3.83Å; F246-F250 HydrophobicContact CE2-CE2 3.83Å; F246-F250 AromaticContact CE2-CG 3.68Å; F246-F250 HydrophobicContact CE2-CG 3.68Å; F246-F250 AromaticContact CZ-CD2 3.63Å; F246-F250 HydrophobicContact CZ-CD2 3.63Å; F246-F250 AromaticContact CZ-CE2 3.95Å; F246-F250 HydrophobicContact CZ-CE2 3.95Å; N247-F250 PolarHBondContact O-N 2.93Å; S248-F250 PolarHBondContact O-N 3.04Å; S248-F250 VanDerWaalsContact O-N 3.09Å; F250-A252 PolarHBondContact O-N 3.02Å; F250-L253 PolarHBondContact O-N 2.82Å; F250-V254 HydrophobicContact CD1-CG2 4.39Å; F250-V254 HydrophobicContact CD2-CG2 3.53Å; F250-V254 HydrophobicContact CE1-CG2 4.1Å; F250-V254 HydrophobicContact CE2-CG2 3.19Å; F250-V254 HydrophobicContact CG-CG2 4.13Å; F250-V254 HydrophobicContact CZ-CG2 3.47Å; F250-V254 VanDerWaalsContact CZ-CG2 3.47Å; F250-V254 WeakPolarHBondContact O-CG2 3.1Å; F250-V254 PolarHBondContact O-N 3.23Å; F250-I271 HydrophobicContact CD1-CD1 4.11Å; F250-I271 HydrophobicContact CE1-CD1 3.42Å; F250-I271 VanDerWaalsContact CE1-CD1 3.42Å; F250-I271 HydrophobicContact CE2-CD1 4.08Å; F250-I271 HydrophobicContact CE2-CG2 4.27Å; F250-I271 HydrophobicContact CZ-CD1 3.46Å; F250-I271 VanDerWaalsContact CZ-CD1 3.46Å; F250-H275 AromaticContact CD1-NE2 4Å; F250-W279 HydrophobicContact CD1-CD2 4.33Å; F250-W279 AromaticContact CD1-CE2 3.75Å; F250-W279 HydrophobicContact CD1-CE3 4.26Å; F250-W279 AromaticContact CD1-CH2 3.14Å; F250-W279 HydrophobicContact CD1-CH2 3.14Å; F250-W279 AromaticContact CD1-CZ2 3.22Å; F250-W279 HydrophobicContact CD1-CZ2 3.22Å; F250-W279 AromaticContact CD1-CZ3 3.69Å; F250-W279 HydrophobicContact CD1-CZ3 3.69Å; F250-W279 AromaticContact CE1-CE2 3.84Å; F250-W279 AromaticContact CE1-CH2 3.27Å; F250-W279 HydrophobicContact CE1-CH2 3.27Å; F250-W279 AromaticContact CE1-CZ2 3.03Å; F250-W279 HydrophobicContact CE1-CZ2 3.03Å; F250-W279 HydrophobicContact CE1-CZ3 4.26Å; F250-W279 HydrophobicContact CG-CH2 4.09Å; F250-W279 HydrophobicContact CG-CZ2 4.48Å; F250-W279 HydrophobicContact CG-CZ3 4.41Å; F250-W279 HydrophobicContact CZ-CH2 4.26Å; F250-W279 HydrophobicContact CZ-CZ2 4.19Å
251	Y	77	Confident	83.7	Confident	31 Å²	31	25.4 Å²	25.4	12%	0.122	14%	0.136	C	C	.	.	H	α-helix	trans	-54.8	-47.6	175.5	-83	-76.1	0	0	0	114.6	T249 L253 L255 W279 W280 Q282 L294	T249-Y251 PolarHBondContact O-N 3.48Å; T249-Y251 VanDerWaalsContact O-N 3.1Å; Y251-L253 VanDerWaalsContact C-N 3.28Å; Y251-L253 PolarHBondContact O-N 3.33Å; Y251-L255 WeakPolarHBondContact O-CB 3.47Å; Y251-L255 PolarHBondContact O-N 3.49Å; Y251-L255 VanDerWaalsContact O-N 3.08Å; Y251-W279 HydrophobicContact CD1-CE3 4.11Å; Y251-W279 AromaticContact CD1-CZ3 3.54Å; Y251-W279 HydrophobicContact CD1-CZ3 3.54Å; Y251-W279 AromaticContact CD2-CE3 3.72Å; Y251-W279 HydrophobicContact CD2-CE3 3.72Å; Y251-W279 AromaticContact CD2-CZ3 3.77Å; Y251-W279 HydrophobicContact CD2-CZ3 3.77Å; Y251-W279 AromaticContact CE1-CE3 3.77Å; Y251-W279 HydrophobicContact CE1-CE3 3.77Å; Y251-W279 AromaticContact CE1-CZ3 3.56Å; Y251-W279 HydrophobicContact CE1-CZ3 3.56Å; Y251-W279 AromaticContact CE2-CE3 3.37Å; Y251-W279 HydrophobicContact CE2-CE3 3.37Å; Y251-W279 AromaticContact CE2-CZ3 3.81Å; Y251-W279 HydrophobicContact CE2-CZ3 3.81Å; Y251-W279 HydrophobicContact CG-CE3 4.12Å; Y251-W279 AromaticContact CG-CZ3 3.68Å; Y251-W279 HydrophobicContact CG-CZ3 3.68Å; Y251-W279 AromaticContact CZ-CE3 3.43Å; Y251-W279 VanDerWaalsContact CZ-CE3 3.43Å; Y251-W279 AromaticContact CZ-CZ3 3.74Å; Y251-W279 PolarHBondContact OH-O 3.39Å; Y251-W280 VanDerWaalsContact OH-CA 3.26Å; Y251-W280 WeakPolarHBondContact OH-CA 3.36Å; Y251-W280 PolarHBondContact OH-N 2.99Å; Y251-Q282 WeakPolarHBondContact OH-CB 3.27Å; Y251-Q282 PolarHBondContact OH-N 2.96Å; Y251-L294 HydrophobicContact CD1-CD1 4.37Å; Y251-L294 HydrophobicContact CD1-CD2 4.11Å; Y251-L294 HydrophobicContact CE1-CD2 3.86Å
252	A	79.2	Confident	83.4	Confident	18 Å²	18	25.5 Å²	25.5	15%	0.149	14%	0.137	C	C	.	.	H	α-helix	trans	-67.3	-37.1	-178.1	0	0	0	0	0	110.3	I226 T249 F250 L255 Q256	I226-A252 HydrophobicContact CD1-CB 3.84Å; T249-A252 HydrophobicContact CG2-CB 4.4Å; T249-A252 PolarHBondContact O-N 2.87Å; F250-A252 PolarHBondContact O-N 3.02Å; A252-L255 PolarHBondContact O-N 3.16Å; A252-Q256 WeakPolarHBondContact O-CG 3.41Å; A252-Q256 PolarHBondContact O-N 3.32Å
253	L	83.3	Confident	83.2	Confident	2 Å²	2	27.7 Å²	27.7	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-66.9	-48.7	177.4	-167.6	154.8	0	0	0	111.9	L186 F219 I226 L230 F246 T249 F250 Y251 L255 Q256 A257 W269	L186-L253 HydrophobicContact CD1-CD1 4.47Å; F219-L253 HydrophobicContact CE1-CD1 3.84Å; F219-L253 HydrophobicContact CZ-CD1 3.71Å; I226-L253 HydrophobicContact CG2-CB 4.21Å; I226-L253 HydrophobicContact CG2-CG 4.25Å; L230-L253 HydrophobicContact CD1-CG 4.5Å; L230-L253 HydrophobicContact CD2-CD2 4.41Å; F246-L253 HydrophobicContact CD1-CD1 3.82Å; F246-L253 HydrophobicContact CE1-CD1 3.6Å; F246-L253 HydrophobicContact CG-CD1 4.44Å; F246-L253 HydrophobicContact CZ-CD1 4.11Å; F246-L253 HydrophobicContact CZ-CD2 4.43Å; T249-L253 PolarHBondContact O-N 3.33Å; F250-L253 PolarHBondContact O-N 2.82Å; Y251-L253 VanDerWaalsContact C-N 3.28Å; Y251-L253 PolarHBondContact O-N 3.33Å; L253-L255 PolarHBondContact O-N 2.94Å; L253-Q256 PolarHBondContact O-N 3.11Å; L253-A257 WeakPolarHBondContact O-CB 3.45Å; L253-A257 PolarHBondContact O-N 3.5Å; L253-W269 HydrophobicContact CD2-CE3 4.49Å; L253-W269 HydrophobicContact CD2-CH2 3.64Å; L253-W269 HydrophobicContact CD2-CZ3 3.54Å
254	V	84.7	Confident	83	Confident	8 Å²	8	28.7 Å²	28.7	5%	0.048	16%	0.156	C	C	.	.	H	α-helix	trans	-59.2	-39.5	176.8	176.4	0	0	0	0	110.9	F250 A257 Y258 L294 A297 M298	F250-V254 HydrophobicContact CD1-CG2 4.39Å; F250-V254 HydrophobicContact CD2-CG2 3.53Å; F250-V254 HydrophobicContact CE1-CG2 4.1Å; F250-V254 HydrophobicContact CE2-CG2 3.19Å; F250-V254 HydrophobicContact CG-CG2 4.13Å; F250-V254 HydrophobicContact CZ-CG2 3.47Å; F250-V254 VanDerWaalsContact CZ-CG2 3.47Å; F250-V254 WeakPolarHBondContact O-CG2 3.1Å; F250-V254 PolarHBondContact O-N 3.23Å; V254-A257 PolarHBondContact O-N 2.8Å; V254-Y258 PolarHBondContact O-N 3.27Å; V254-L294 HydrophobicContact CB-CD1 4.02Å; V254-L294 HydrophobicContact CG1-CD1 3.55Å; V254-A297 HydrophobicContact CG1-CB 3.59Å; V254-M298 HydrophobicContact CG1-CG 3.68Å; V254-M298 HydrophobicContact CG2-CG 4.27Å
255	L	82.9	Confident	82.9	Confident	12 Å²	12	30 Å²	30	6%	0.063	17%	0.167	C	C	.	.	H	α-helix	trans	-63	-46.9	176.7	177.9	56	0	0	0	112.2	Y251 A252 L253 A257 Y258 Q259 L287 C289	Y251-L255 WeakPolarHBondContact O-CB 3.47Å; Y251-L255 PolarHBondContact O-N 3.49Å; Y251-L255 VanDerWaalsContact O-N 3.08Å; A252-L255 PolarHBondContact O-N 3.16Å; L253-L255 PolarHBondContact O-N 2.94Å; L255-A257 VanDerWaalsContact C-N 3.34Å; L255-Y258 WeakPolarHBondContact O-CB 3.25Å; L255-Y258 PolarHBondContact O-N 3.15Å; L255-Q259 WeakPolarHBondContact O-CG 3.46Å; L255-Q259 PolarHBondContact O-N 2.88Å; L255-L287 HydrophobicContact CD2-CD2 3.67Å; L255-C289 HydrophobicContact CD1-CB 3.29Å; L255-C289 WeakPolarHBondContact CD1-SG 3.24Å; L255-C289 HydrophobicContact CD2-CB 4.26Å; L255-C289 HydrophobicContact CG-CB 4.38Å
256	Q	85	Confident	82.9	Confident	30 Å²	30	33 Å²	33	14%	0.14	18%	0.18	C	C	.	.	H	α-helix	trans	-65.4	-39.3	177.1	-68.3	-55.5	-58.8	0	0	111.3	I226 L230 A252 L253 Y258 Q259 M260	I226-Q256 HydrophobicContact CG2-CB 4.25Å; I226-Q256 HydrophobicContact CG2-CG 4.13Å; L230-Q256 HydrophobicContact CD1-CB 3.56Å; A252-Q256 WeakPolarHBondContact O-CG 3.41Å; A252-Q256 PolarHBondContact O-N 3.32Å; L253-Q256 PolarHBondContact O-N 3.11Å; Q256-Y258 VanDerWaalsContact C-N 3.32Å; Q256-Y258 PolarHBondContact O-N 3.46Å; Q256-Q259 PolarHBondContact O-N 2.79Å; Q256-M260 WeakPolarHBondContact O-CB 3.43Å; Q256-M260 VanDerWaalsContact O-CG 3.3Å; Q256-M260 WeakPolarHBondContact O-CG 3.33Å; Q256-M260 PolarHBondContact O-N 3.48Å
257	A	88.2	Confident	83.3	Confident	4 Å²	4	34.6 Å²	34.6	3%	0.033	19%	0.187	C	C	.	.	H	α-helix	trans	-60.2	-40.6	174.4	0	0	0	0	0	112.1	L230 L253 V254 L255 M260 N261 L262 W269	L230-A257 HydrophobicContact CD1-CB 4.46Å; L253-A257 WeakPolarHBondContact O-CB 3.45Å; L253-A257 PolarHBondContact O-N 3.5Å; V254-A257 PolarHBondContact O-N 2.8Å; L255-A257 VanDerWaalsContact C-N 3.34Å; A257-M260 PolarHBondContact O-N 2.93Å; A257-N261 PolarHBondContact O-N 3.19Å; A257-N261 VanDerWaalsContact O-N 3.15Å; A257-L262 HydrophobicContact CB-CB 4.19Å; A257-L262 PolarHBondContact O-N 3.47Å; A257-W269 HydrophobicContact CB-CH2 4.45Å; A257-W269 HydrophobicContact CB-CZ2 3.98Å
258	Y	89.1	Confident	84	Confident	48 Å²	48	33.2 Å²	33.2	19%	0.188	18%	0.18	C	C	.	.	H	α-helix	trans	-61.3	-48.7	173.7	-178.1	-102.9	0	0	0	112	V254 L255 Q256 M260 N261 Y263 Q293 K296 A297	V254-Y258 PolarHBondContact O-N 3.27Å; L255-Y258 WeakPolarHBondContact O-CB 3.25Å; L255-Y258 PolarHBondContact O-N 3.15Å; Q256-Y258 VanDerWaalsContact C-N 3.32Å; Q256-Y258 PolarHBondContact O-N 3.46Å; Y258-M260 PolarHBondContact O-N 2.93Å; Y258-N261 PolarHBondContact O-N 2.65Å; Y258-N261 VanDerWaalsContact O-N 3.15Å; Y258-Y263 HydrophobicContact CD2-CD1 4.11Å; Y258-Y263 AromaticContact CD2-CE1 3.58Å; Y258-Y263 HydrophobicContact CD2-CE1 3.58Å; Y258-Y263 AromaticContact CD2-CZ 3.86Å; Y258-Y263 AromaticContact CE2-CE1 3.9Å; Y258-Y263 HydrophobicContact CE2-CE1 3.9Å; Y258-Y263 HydrophobicContact CE2-CE2 4.5Å; Y258-Y263 AromaticContact CE2-CZ 3.74Å; Y258-Y263 HydrophobicContact CG-CE1 4.44Å; Y258-Q293 HydrophobicContact CD1-CB 4.08Å; Y258-Q293 HydrophobicContact CD1-CG 4.45Å; Y258-Q293 WeakPolarHBondContact CD2-O 3.44Å; Y258-Q293 HydrophobicContact CE1-CB 3.71Å; Y258-Q293 HydrophobicContact CE1-CG 3.61Å; Y258-Q293 HydrophobicContact CE2-CB 4.21Å; Y258-Q293 HydrophobicContact CE2-CG 4.43Å; Y258-Q293 HydrophobicContact CG-CB 4.49Å; Y258-K296 HydrophobicContact CE2-CD 4.26Å; Y258-A297 HydrophobicContact CD2-CB 3.95Å; Y258-A297 HydrophobicContact CG-CB 4.32Å
259	Q	86.7	Confident	85.3	Confident	106 Å²	106	30.3 Å²	30.3	50%	0.495	16%	0.156	S	C	.	.	H	α-helix	trans	-61.2	-26.5	179.2	-71.5	178.9	-11.2	0	0	112.7	L255 Q256	L255-Q259 WeakPolarHBondContact O-CG 3.46Å; L255-Q259 PolarHBondContact O-N 2.88Å; Q256-Q259 PolarHBondContact O-N 2.79Å
260	M	86.1	Confident	86.5	Confident	20 Å²	20	29.4 Å²	29.4	10%	0.099	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	2.7	-178.7	-64.7	176.5	68.5	0	0	114.2	K227 L230 E231 K235 Q256 A257 Y258 L262	K227-M260 HydrophobicContact CG-SD 4.28Å; L230-M260 HydrophobicContact CB-CE 4.19Å; L230-M260 HydrophobicContact CB-SD 3.89Å; L230-M260 HydrophobicContact CD1-SD 4.47Å; E231-M260 VanDerWaalsContact CA-CE 3.48Å; E231-M260 HydrophobicContact CB-CE 3.61Å; E231-M260 HydrophobicContact CG-CE 4.15Å; K235-M260 HydrophobicContact CB-CE 4.36Å; K235-M260 HydrophobicContact CD-CE 3.95Å; Q256-M260 WeakPolarHBondContact O-CB 3.43Å; Q256-M260 VanDerWaalsContact O-CG 3.3Å; Q256-M260 WeakPolarHBondContact O-CG 3.33Å; Q256-M260 PolarHBondContact O-N 3.48Å; A257-M260 PolarHBondContact O-N 2.93Å; Y258-M260 PolarHBondContact O-N 2.93Å; M260-L262 VanDerWaalsContact C-N 3.29Å; M260-L262 HydrophobicContact CB-CD1 4.07Å; M260-L262 HydrophobicContact CB-CG 3.94Å; M260-L262 HydrophobicContact CE-CD1 4.34Å; M260-L262 PolarHBondContact O-N 3.43Å
261	N	88.4	Confident	87.2	Confident	109 Å²	109	29.2 Å²	29.2	58%	0.583	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	34.8	-174	-63.9	-45.6	0	0	0	114.2	A257 Y258 Y263	A257-N261 PolarHBondContact O-N 3.19Å; A257-N261 VanDerWaalsContact O-N 3.15Å; Y258-N261 PolarHBondContact O-N 2.65Å; Y258-N261 VanDerWaalsContact O-N 3.15Å; N261-Y263 PolarHBondContact O-N 2.6Å
262	L	88.8	Confident	87.6	Confident	2 Å²	2	27.9 Å²	27.9	1%	0.01	15%	0.145	C	C	.	.			trans	-89.5	45.7	176.5	-60.4	176.5	0	0	0	111.9	L230 I234 K235 A257 M260 Y267 W269	L230-L262 HydrophobicContact CB-CD1 4.06Å; L230-L262 HydrophobicContact CD2-CD1 4.31Å; I234-L262 HydrophobicContact CB-CD1 4.15Å; I234-L262 HydrophobicContact CG2-CD1 4.01Å; I234-L262 HydrophobicContact CG2-CD2 3.95Å; I234-L262 HydrophobicContact CG2-CG 4.47Å; K235-L262 HydrophobicContact CB-CD2 4.18Å; K235-L262 HydrophobicContact CG-CD2 4.46Å; A257-L262 HydrophobicContact CB-CB 4.19Å; A257-L262 PolarHBondContact O-N 3.47Å; M260-L262 VanDerWaalsContact C-N 3.29Å; M260-L262 HydrophobicContact CB-CD1 4.07Å; M260-L262 HydrophobicContact CB-CG 3.94Å; M260-L262 HydrophobicContact CE-CD1 4.34Å; M260-L262 PolarHBondContact O-N 3.43Å; L262-Y267 HydrophobicContact CD2-CE1 4.13Å; L262-W269 HydrophobicContact CB-CZ2 4.43Å; L262-W269 PolarHBondContact O-NE1 3.47Å
263	Y	89	Confident	87.5	Confident	46 Å²	46	27.4 Å²	27.4	18%	0.18	14%	0.142	C	C	.	.			trans	-147.6	166.8	-179.3	72.3	-83.3	0	0	0	109.9	Y258 N261 K296	Y258-Y263 HydrophobicContact CD2-CD1 4.11Å; Y258-Y263 AromaticContact CD2-CE1 3.58Å; Y258-Y263 HydrophobicContact CD2-CE1 3.58Å; Y258-Y263 AromaticContact CD2-CZ 3.86Å; Y258-Y263 AromaticContact CE2-CE1 3.9Å; Y258-Y263 HydrophobicContact CE2-CE1 3.9Å; Y258-Y263 HydrophobicContact CE2-CE2 4.5Å; Y258-Y263 AromaticContact CE2-CZ 3.74Å; Y258-Y263 HydrophobicContact CG-CE1 4.44Å; N261-Y263 PolarHBondContact O-N 2.6Å; Y263-K296 HydrophobicContact CD2-CG 4.47Å; Y263-K296 HydrophobicContact CE2-CD 4.22Å; Y263-K296 HydrophobicContact CE2-CG 3.83Å
264	G	87.6	Confident	86.7	Confident	22 Å²	22	28.7 Å²	28.7	23%	0.227	15%	0.147	C	C	.	.	S	Bend	trans	109.4	-161.4	177.4	0	0	0	0	0	112.8	E266 Y267 I435	G264-E266 PolarHBondContact O-N 3.25Å; G264-Y267 PolarHBondContact O-N 3.47Å; G264-I435 VanDerWaalsContact C-CD1 3.46Å
265	A	87.5	Confident	85.7	Confident	28 Å²	28	30.1 Å²	30.1	23%	0.231	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-15.5	-169	0	0	0	0	0	115	I435 N436 P440	A265-I435 HydrophobicContact CB-CB 3.87Å; A265-I435 HydrophobicContact CB-CG2 3.76Å; A265-N436 HydrophobicContact CB-CB 4.05Å; A265-N436 VanDerWaalsContact CB-ND2 3.31Å; A265-N436 WeakPolarHBondContact CB-ND2 3.42Å; A265-N436 WeakPolarHBondContact CB-OD1 3.3Å; A265-P440 WeakPolarHBondContact O-CB 3.4Å
266	E	86.8	Confident	84.9	Confident	61 Å²	61	34 Å²	34	29%	0.285	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-15.7	-178.1	-62.1	173.9	155.7	0	0	112.8	R240 G264 A612	R240-E266 WeakPolarHBondContact CB-O 3.35Å; G264-E266 PolarHBondContact O-N 3.25Å; E266-A612 HydrophobicContact CG-CB 4.12Å; E266-A612 WeakPolarHBondContact OE1-CA 3.35Å; E266-A612 WeakPolarHBondContact OE1-CB 3.25Å
267	Y	91.2	Very high	84.1	Confident	37 Å²	37	41.1 Å²	41.1	15%	0.145	20%	0.204	C	C	.	.			trans	-118.6	140.5	-172.2	-64	-80.4	0	0	0	111.9	R240 I242 L262 G264	R240-Y267 CarbonylContact O-C 3.55Å; R240-Y267 WeakPolarHBondContact O-CA 3.49Å; I242-Y267 HydrophobicContact CD1-CD1 4.15Å; L262-Y267 HydrophobicContact CD2-CE1 4.13Å; G264-Y267 PolarHBondContact O-N 3.47Å
268	V	93.6	Very high	83.5	Confident	5 Å²	5	46.1 Å²	46.1	3%	0.03	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	126.9	170.7	-175	0	0	0	0	108.9	W180 R240 I241 I242 I270 F302 W434 P440	W180-V268 HydrophobicContact CH2-CB 4.39Å; W180-V268 HydrophobicContact CH2-CG1 4.1Å; W180-V268 HydrophobicContact CH2-CG2 4.11Å; W180-V268 HydrophobicContact CZ2-CG2 4.14Å; R240-V268 PolarHBondContact O-N 3.24Å; I241-V268 HydrophobicContact CD1-CB 3.91Å; I241-V268 HydrophobicContact CD1-CG2 3.85Å; I242-V268 PolarHBondContact N-O 2.81Å; V268-I270 HydrophobicContact CG1-CG1 4.19Å; V268-F302 HydrophobicContact CG1-CD2 3.72Å; V268-F302 HydrophobicContact CG1-CE2 3.93Å; V268-W434 HydrophobicContact CG2-CZ3 3.93Å; V268-P440 HydrophobicContact CG2-CG 3.31Å
269	W	93.2	Very high	83	Confident	22 Å²	22	44.3 Å²	44.3	8%	0.083	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126.7	174.8	-71.8	85.8	0	0	0	109.6	L186 L230 I242 L253 A257 L262 H301 F302	L186-W269 HydrophobicContact CD1-CH2 3.79Å; L186-W269 HydrophobicContact CD1-CZ3 3.64Å; L230-W269 HydrophobicContact CD2-CH2 3.9Å; I242-W269 HydrophobicContact CB-CD2 4.11Å; I242-W269 HydrophobicContact CB-CE3 3.99Å; I242-W269 HydrophobicContact CB-CZ3 4.23Å; I242-W269 HydrophobicContact CD1-CD2 4.07Å; I242-W269 HydrophobicContact CD1-CE3 4.46Å; I242-W269 HydrophobicContact CD1-CH2 3.88Å; I242-W269 HydrophobicContact CD1-CZ2 3.42Å; I242-W269 VanDerWaalsContact CD1-CZ2 3.42Å; I242-W269 HydrophobicContact CD1-CZ3 4.39Å; I242-W269 HydrophobicContact CG2-CD2 4.23Å; I242-W269 HydrophobicContact CG2-CE3 3.64Å; I242-W269 HydrophobicContact CG2-CH2 3.88Å; I242-W269 HydrophobicContact CG2-CZ2 4.45Å; I242-W269 HydrophobicContact CG2-CZ3 3.45Å; I242-W269 VanDerWaalsContact CG2-CZ3 3.45Å; I242-W269 CarbonylContact O-C 3.27Å; I242-W269 WeakPolarHBondContact O-CA 3.35Å; L253-W269 HydrophobicContact CD2-CE3 4.49Å; L253-W269 HydrophobicContact CD2-CH2 3.64Å; L253-W269 HydrophobicContact CD2-CZ3 3.54Å; A257-W269 HydrophobicContact CB-CH2 4.45Å; A257-W269 HydrophobicContact CB-CZ2 3.98Å; L262-W269 HydrophobicContact CB-CZ2 4.43Å; L262-W269 PolarHBondContact O-NE1 3.47Å; W269-H301 HydrophobicContact CB-CB 3.81Å; W269-F302 PolarHBondContact O-N 2.66Å
270	I	93.7	Very high	82.5	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	110.5	176.5	-56.6	167.4	0	0	0	107.6	F174 L175 W180 I241 I242 V243 G244 V268 F302 L304	F174-I270 HydrophobicContact CD1-CD1 3.78Å; F174-I270 HydrophobicContact CD1-CG1 4.46Å; F174-I270 HydrophobicContact CE1-CD1 3.82Å; F174-I270 HydrophobicContact CE1-CG1 4.18Å; L175-I270 HydrophobicContact CD2-CD1 3.73Å; W180-I270 HydrophobicContact CZ3-CD1 4.29Å; I241-I270 HydrophobicContact CG2-CD1 4.27Å; I242-I270 PolarHBondContact O-N 2.88Å; V243-I270 CarbonylContact C-O 3.58Å; V243-I270 WeakPolarHBondContact CA-O 3.5Å; V243-I270 HydrophobicContact CG2-CB 4.39Å; V243-I270 HydrophobicContact CG2-CD1 4.31Å; G244-I270 PolarHBondContact N-O 3.21Å; V268-I270 HydrophobicContact CG1-CG1 4.19Å; I270-F302 WeakPolarHBondContact CA-O 3.48Å; I270-F302 HydrophobicContact CG1-CB 4.44Å; I270-L304 HydrophobicContact CG2-CD1 3.58Å
271	I	90.2	Very high	82	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	175	-173.5	62.2	161.4	0	0	0	112.2	F246 F250 F302 A303 L304	F246-I271 HydrophobicContact CE1-CG2 4.49Å; F246-I271 HydrophobicContact CE2-CG2 4.08Å; F246-I271 HydrophobicContact CZ-CB 4.43Å; F246-I271 HydrophobicContact CZ-CG2 3.59Å; F250-I271 HydrophobicContact CD1-CD1 4.11Å; F250-I271 HydrophobicContact CE1-CD1 3.42Å; F250-I271 VanDerWaalsContact CE1-CD1 3.42Å; F250-I271 HydrophobicContact CE2-CD1 4.08Å; F250-I271 HydrophobicContact CE2-CG2 4.27Å; F250-I271 HydrophobicContact CZ-CD1 3.46Å; F250-I271 VanDerWaalsContact CZ-CD1 3.46Å; I271-F302 WeakPolarHBondContact CG1-O 3.36Å; I271-F302 PolarHBondContact N-O 3.14Å; I271-A303 HydrophobicContact CD1-CB 4.34Å; I271-A303 HydrophobicContact CG1-CB 3.79Å; I271-A303 CarbonylContact O-C 3.56Å; I271-A303 VanDerWaalsContact O-CA 3.29Å; I271-A303 WeakPolarHBondContact O-CA 3.42Å; I271-L304 PolarHBondContact O-N 3.26Å
272	A	85.2	Confident	81.1	Confident	3 Å²	3	41.7 Å²	41.7	3%	0.025	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	135.5	168.1	0	0	0	0	0	110.9	Y194 F274 H275	Y194-A272 HydrophobicContact CE1-CB 4.39Å; A272-F274 HydrophobicContact CB-CD2 3.93Å; A272-F274 HydrophobicContact CB-CE2 4.23Å; A272-F274 PolarHBondContact O-N 3.46Å; A272-H275 PolarHBondContact O-CD2 3.1Å; A272-H275 PolarHBondContact O-NE2 3.46Å
273	G	76.7	Confident	79.5	Confident	9 Å²	9	45.6 Å²	45.6	9%	0.093	23%	0.233	C	C	.	.			trans	-91.2	16	-177.4	0	0	0	0	0	114.9	H275 L304 Q305	G273-H275 VanDerWaalsContact C-N 3.25Å; G273-H275 PolarHBondContact O-N 3.4Å; G273-L304 PolarHBondContact N-O 2.9Å; G273-Q305 PolarHBondContact O-OE1 3.18Å
274	F	66.9	Low	78.2	Confident	29 Å²	29	46 Å²	46	13%	0.127	24%	0.24	C	C	.	.			trans	-84.7	6.7	-173.3	-54	-58.4	0	0	0	114.8	Q167 A272 Q305 F306	Q167-F274 VanDerWaalsContact NE2-CZ 3.27Å; A272-F274 HydrophobicContact CB-CD2 3.93Å; A272-F274 HydrophobicContact CB-CE2 4.23Å; A272-F274 PolarHBondContact O-N 3.46Å; F274-Q305 HydrophobicContact CD1-CB 4.47Å; F274-Q305 HydrophobicContact CE1-CB 4.17Å; F274-F306 HydrophobicContact CD1-CD1 4.02Å; F274-F306 AromaticContact CD1-CE1 3.71Å; F274-F306 HydrophobicContact CD1-CE1 3.71Å; F274-F306 HydrophobicContact CD1-CZ 4.46Å; F274-F306 AromaticContact CE1-CD1 3.27Å; F274-F306 HydrophobicContact CE1-CD1 3.27Å; F274-F306 AromaticContact CE1-CE1 3.46Å; F274-F306 HydrophobicContact CE1-CE1 3.46Å; F274-F306 VanDerWaalsContact CE1-CE1 3.46Å; F274-F306 HydrophobicContact CE1-CG 4.14Å; F274-F306 HydrophobicContact CE1-CZ 4.47Å; F274-F306 HydrophobicContact CZ-CD1 4.08Å; F274-F306 HydrophobicContact CZ-CE1 4.47Å
275	H	63.1	Low	76.9	Confident	38 Å²	38	53.6 Å²	53.6	18%	0.176	27%	0.267	C	S	.	.	S	Bend	trans	-66.7	151.5	177.1	-58.2	-57.4	0	0	0	111	N247 F250 A272 G273 W279	N247-H275 PolarHBondContact O-CE1 3.25Å; F250-H275 AromaticContact CD1-NE2 4Å; A272-H275 PolarHBondContact O-CD2 3.1Å; A272-H275 PolarHBondContact O-NE2 3.46Å; G273-H275 VanDerWaalsContact C-N 3.25Å; G273-H275 PolarHBondContact O-N 3.4Å; H275-W279 HydrophobicContact CB-CB 4.21Å; H275-W279 VanDerWaalsContact CB-CD1 3.48Å; H275-W279 HydrophobicContact CB-CG 3.85Å
276	E	65.6	Low	75.5	Confident	93 Å²	93	60.3 Å²	60.3	44%	0.435	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-52.4	145.8	172.6	-67.3	-178	-179.7	0	0	110.7	A51 Q278 W279 Q282	A51-E276 HydrophobicContact CB-CG 4.18Å; E276-Q278 PolarHBondContact O-N 3.1Å; E276-W279 WeakPolarHBondContact O-CB 3.38Å; E276-W279 PolarHBondContact O-N 3.4Å; E276-Q282 PolarHBondContact OE2-NE2 3.43Å
277	E	68.6	Low	74.3	Confident	179 Å²	179	59.7 Å²	59.7	84%	0.836	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	132.5	174.7	-74.4	-170.1	175.6	0	0	109.7	W279	E277-W279 PolarHBondContact O-N 3.07Å
278	Q	76.3	Confident	73.2	Confident	109 Å²	109	63.2 Å²	63.2	51%	0.509	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	32.9	-179.2	-42.9	-177.5	-51.5	0	0	113.7	E276 W280 L281	E276-Q278 PolarHBondContact O-N 3.1Å; Q278-W280 HydrophobicContact CB-CZ2 4.17Å; Q278-W280 HydrophobicContact CG-CZ2 4.34Å; Q278-W280 PolarHBondContact O-N 2.64Å; Q278-L281 HydrophobicContact CB-CB 4.46Å; Q278-L281 HydrophobicContact CB-CD1 3.44Å; Q278-L281 VanDerWaalsContact CB-CD1 3.44Å; Q278-L281 HydrophobicContact CB-CG 3.75Å; Q278-L281 HydrophobicContact CG-CD1 4.05Å; Q278-L281 VanDerWaalsContact O-CB 3.3Å; Q278-L281 WeakPolarHBondContact O-CB 3.45Å; Q278-L281 WeakPolarHBondContact O-CG 3.35Å; Q278-L281 PolarHBondContact O-N 3.07Å; Q278-L281 VanDerWaalsContact OE1-CD1 3.31Å
279	W	77.9	Confident	72	Confident	11 Å²	11	64 Å²	64	4%	0.042	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-42.9	-49.9	179.9	60.7	-87.2	0	0	0	110.3	F250 Y251 H275 E276 E277 L281 Q282 M298 Y412	F250-W279 HydrophobicContact CD1-CD2 4.33Å; F250-W279 AromaticContact CD1-CE2 3.75Å; F250-W279 HydrophobicContact CD1-CE3 4.26Å; F250-W279 AromaticContact CD1-CH2 3.14Å; F250-W279 HydrophobicContact CD1-CH2 3.14Å; F250-W279 AromaticContact CD1-CZ2 3.22Å; F250-W279 HydrophobicContact CD1-CZ2 3.22Å; F250-W279 AromaticContact CD1-CZ3 3.69Å; F250-W279 HydrophobicContact CD1-CZ3 3.69Å; F250-W279 AromaticContact CE1-CE2 3.84Å; F250-W279 AromaticContact CE1-CH2 3.27Å; F250-W279 HydrophobicContact CE1-CH2 3.27Å; F250-W279 AromaticContact CE1-CZ2 3.03Å; F250-W279 HydrophobicContact CE1-CZ2 3.03Å; F250-W279 HydrophobicContact CE1-CZ3 4.26Å; F250-W279 HydrophobicContact CG-CH2 4.09Å; F250-W279 HydrophobicContact CG-CZ2 4.48Å; F250-W279 HydrophobicContact CG-CZ3 4.41Å; F250-W279 HydrophobicContact CZ-CH2 4.26Å; F250-W279 HydrophobicContact CZ-CZ2 4.19Å; Y251-W279 HydrophobicContact CD1-CE3 4.11Å; Y251-W279 AromaticContact CD1-CZ3 3.54Å; Y251-W279 HydrophobicContact CD1-CZ3 3.54Å; Y251-W279 AromaticContact CD2-CE3 3.72Å; Y251-W279 HydrophobicContact CD2-CE3 3.72Å; Y251-W279 AromaticContact CD2-CZ3 3.77Å; Y251-W279 HydrophobicContact CD2-CZ3 3.77Å; Y251-W279 AromaticContact CE1-CE3 3.77Å; Y251-W279 HydrophobicContact CE1-CE3 3.77Å; Y251-W279 AromaticContact CE1-CZ3 3.56Å; Y251-W279 HydrophobicContact CE1-CZ3 3.56Å; Y251-W279 AromaticContact CE2-CE3 3.37Å; Y251-W279 HydrophobicContact CE2-CE3 3.37Å; Y251-W279 AromaticContact CE2-CZ3 3.81Å; Y251-W279 HydrophobicContact CE2-CZ3 3.81Å; Y251-W279 HydrophobicContact CG-CE3 4.12Å; Y251-W279 AromaticContact CG-CZ3 3.68Å; Y251-W279 HydrophobicContact CG-CZ3 3.68Å; Y251-W279 AromaticContact CZ-CE3 3.43Å; Y251-W279 VanDerWaalsContact CZ-CE3 3.43Å; Y251-W279 AromaticContact CZ-CZ3 3.74Å; Y251-W279 PolarHBondContact OH-O 3.39Å; H275-W279 HydrophobicContact CB-CB 4.21Å; H275-W279 VanDerWaalsContact CB-CD1 3.48Å; H275-W279 HydrophobicContact CB-CG 3.85Å; E276-W279 WeakPolarHBondContact O-CB 3.38Å; E276-W279 PolarHBondContact O-N 3.4Å; E277-W279 PolarHBondContact O-N 3.07Å; W279-L281 PolarHBondContact O-N 3.39Å; W279-Q282 WeakPolarHBondContact O-CB 3.5Å; W279-Q282 WeakPolarHBondContact O-CG 3.24Å; W279-Q282 PolarHBondContact O-N 3.36Å; W279-M298 HydrophobicContact CH2-SD 3.23Å; W279-M298 WeakPolarHBondContact CH2-SD 3.36Å; W279-M298 HydrophobicContact CZ2-SD 3.32Å; W279-M298 WeakPolarHBondContact CZ2-SD 3.39Å; W279-M298 HydrophobicContact CZ3-SD 4.36Å; W279-Y412 PolarHBondContact NE1-OH 3Å
280	W	77	Confident	71.3	Confident	10 Å²	10	65.7 Å²	65.7	4%	0.038	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-50.7	-15.2	177.9	61.6	87.7	0	0	0	117.2	Y251 Q278 L294 M298 F405 D410 Y412	Y251-W280 VanDerWaalsContact OH-CA 3.26Å; Y251-W280 WeakPolarHBondContact OH-CA 3.36Å; Y251-W280 PolarHBondContact OH-N 2.99Å; Q278-W280 HydrophobicContact CB-CZ2 4.17Å; Q278-W280 HydrophobicContact CG-CZ2 4.34Å; Q278-W280 PolarHBondContact O-N 2.64Å; W280-L294 HydrophobicContact CB-CD2 4.05Å; W280-M298 HydrophobicContact CB-CE 3.75Å; W280-M298 HydrophobicContact CB-SD 4.28Å; W280-M298 HydrophobicContact CG-CE 4.05Å; W280-F405 HydrophobicContact CD2-CE2 4.26Å; W280-F405 AromaticContact CE2-CE2 3.89Å; W280-F405 HydrophobicContact CE3-CE2 4.34Å; W280-F405 HydrophobicContact CH2-CD2 4.17Å; W280-F405 AromaticContact CH2-CE2 3.78Å; W280-F405 HydrophobicContact CH2-CE2 3.78Å; W280-F405 HydrophobicContact CZ2-CD2 4.49Å; W280-F405 AromaticContact CZ2-CE2 3.67Å; W280-F405 HydrophobicContact CZ2-CE2 3.67Å; W280-F405 HydrophobicContact CZ3-CD2 4.33Å; W280-F405 HydrophobicContact CZ3-CE2 4.12Å; W280-D410 VanDerWaalsContact CZ2-O 3.28Å; W280-D410 WeakPolarHBondContact CZ2-O 3.5Å; W280-Y412 AromaticContact CH2-CD2 3.95Å; W280-Y412 HydrophobicContact CH2-CD2 3.95Å; W280-Y412 AromaticContact CH2-CE2 3.85Å; W280-Y412 HydrophobicContact CH2-CE2 3.85Å; W280-Y412 HydrophobicContact CZ3-CD2 4.01Å; W280-Y412 AromaticContact CZ3-CE2 3.42Å; W280-Y412 HydrophobicContact CZ3-CE2 3.42Å; W280-Y412 VanDerWaalsContact CZ3-CE2 3.42Å
281	L	75.8	Confident	70.7	Confident	69 Å²	69	71.1 Å²	71.1	36%	0.361	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-80.6	-16.9	173.9	-58.7	-177.1	0	0	0	113.6	Q278 W279 R291	Q278-L281 HydrophobicContact CB-CB 4.46Å; Q278-L281 HydrophobicContact CB-CD1 3.44Å; Q278-L281 VanDerWaalsContact CB-CD1 3.44Å; Q278-L281 HydrophobicContact CB-CG 3.75Å; Q278-L281 HydrophobicContact CG-CD1 4.05Å; Q278-L281 VanDerWaalsContact O-CB 3.3Å; Q278-L281 WeakPolarHBondContact O-CB 3.45Å; Q278-L281 WeakPolarHBondContact O-CG 3.35Å; Q278-L281 PolarHBondContact O-N 3.07Å; Q278-L281 VanDerWaalsContact OE1-CD1 3.31Å; W279-L281 PolarHBondContact O-N 3.39Å; L281-R291 VanDerWaalsContact CD2-CZ 3.41Å
282	Q	67.8	Low	70.3	Confident	100 Å²	100	76.8 Å²	76.8	47%	0.467	39%	0.393	S	S	.	.	S	Bend	trans	-61.7	142.3	-179.3	-66	-175.8	-4.6	0	0	111.2	Y251 E276 W279 T284	Y251-Q282 WeakPolarHBondContact OH-CB 3.27Å; Y251-Q282 PolarHBondContact OH-N 2.96Å; E276-Q282 PolarHBondContact OE2-NE2 3.43Å; W279-Q282 WeakPolarHBondContact O-CB 3.5Å; W279-Q282 WeakPolarHBondContact O-CG 3.24Å; W279-Q282 PolarHBondContact O-N 3.36Å; Q282-T284 PolarHBondContact O-N 3.32Å
283	S	56.4	Low	70.4	Confident	85 Å²	85	79.7 Å²	79.7	59%	0.594	41%	0.406	S	S	*	.			trans	-54.6	108.5	-170.7	162.2	0	0	0	0	112.3	K285	S283-K285 PolarHBondContact O-N 2.99Å; S283-K285 WeakPolarHBondContact OG-CD 3.4Å; S283-K285 WeakPolarHBondContact OG-CG 3.4Å
284	T	60.4	Low	70.8	Confident	53 Å²	53	79.9 Å²	79.9	33%	0.325	41%	0.405	S	S	.	.			trans	-74.6	26.2	179.2	56.2	0	0	0	0	114.2	Q282 H286 L287	Q282-T284 PolarHBondContact O-N 3.32Å; T284-H286 PolarHBondContact O-N 3.29Å; T284-L287 HydrophobicContact CG2-CD1 4.12Å; T284-L287 PolarHBondContact O-N 3.37Å
285	K	60.2	Low	71.8	Confident	182 Å²	182	79.1 Å²	79.1	79%	0.791	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-18.3	-174	-85	174.8	-173.3	-175.4	0	114.8	S283	S283-K285 PolarHBondContact O-N 2.99Å; S283-K285 WeakPolarHBondContact OG-CD 3.4Å; S283-K285 WeakPolarHBondContact OG-CG 3.4Å
286	H	59.6	Low	72.9	Confident	170 Å²	170	82.8 Å²	82.8	79%	0.787	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	9.3	178.5	-58.9	-60.2	0	0	0	114.8	T284	T284-H286 PolarHBondContact O-N 3.29Å
287	L	62.2	Low	74	Confident	48 Å²	48	78.9 Å²	78.9	25%	0.251	40%	0.401	S	S	.	.			trans	-118.9	133.6	-175.5	-70.8	138.4	0	0	0	110.6	L255 T284 C289	L255-L287 HydrophobicContact CD2-CD2 3.67Å; T284-L287 HydrophobicContact CG2-CD1 4.12Å; T284-L287 PolarHBondContact O-N 3.37Å; L287-C289 PolarHBondContact O-N 3.22Å; L287-C289 VanDerWaalsContact O-N 3.1Å
288	S	66.2	Low	74.9	Confident	111 Å²	111	70.5 Å²	70.5	78%	0.776	36%	0.362	S	S	*	.	S	Bend	trans	-77.9	18.2	-176.6	35.4	0	0	0	0	114.5
289	C	69.9	Low	75.5	Confident	22 Å²	22	72 Å²	72	15%	0.149	36%	0.363	C	S	.	.	S	Bend	trans	-120.8	143.9	-169.3	-158.2	0	0	0	0	112	L255 L287 Q293	L255-C289 HydrophobicContact CD1-CB 3.29Å; L255-C289 WeakPolarHBondContact CD1-SG 3.24Å; L255-C289 HydrophobicContact CD2-CB 4.26Å; L255-C289 HydrophobicContact CG-CB 4.38Å; L287-C289 PolarHBondContact O-N 3.22Å; L287-C289 VanDerWaalsContact O-N 3.1Å; C289-Q293 WeakPolarHBondContact SG-CB 3.28Å; C289-Q293 PolarHBondContact SG-OE1 3.5Å
290	S	78.7	Confident	76.1	Confident	56 Å²	56	72.2 Å²	72.2	39%	0.392	37%	0.369	S	S	.	.			trans	-74.5	153.7	168.9	67.1	0	0	0	0	111.3	D292 Q293 L294	S290-D292 PolarHBondContact O-N 3.31Å; S290-Q293 WeakPolarHBondContact O-CB 3.36Å; S290-Q293 PolarHBondContact O-N 2.74Å; S290-Q293 VanDerWaalsContact OG-CD 3.25Å; S290-Q293 WeakPolarHBondContact OG-CG 3.28Å; S290-Q293 PolarHBondContact OG-N 3.03Å; S290-Q293 PolarHBondContact OG-OE1 3.33Å; S290-L294 PolarHBondContact O-N 3.37Å
291	R	80.2	Confident	76.8	Confident	116 Å²	116	72 Å²	72	44%	0.438	37%	0.368	S	S	.	.	H	α-helix	trans	-56	-39	175.5	-179.3	-172.5	170.1	120.7	-1.4	112.4	L281 Q293 L294 L295 D410	L281-R291 VanDerWaalsContact CD2-CZ 3.41Å; R291-Q293 VanDerWaalsContact C-N 3.33Å; R291-Q293 PolarHBondContact O-N 3.03Å; R291-L294 WeakPolarHBondContact O-CB 3.27Å; R291-L294 PolarHBondContact O-N 3.07Å; R291-L295 HydrophobicContact CG-CD1 4.05Å; R291-L295 HydrophobicContact CG-CG 4.39Å; R291-L295 WeakPolarHBondContact O-CG 3.36Å; R291-L295 PolarHBondContact O-N 3.28Å; R291-D410 IonicContact NH2-OD2 2.95Å
292	D	83	Confident	77.7	Confident	119 Å²	119	68.8 Å²	68.8	64%	0.636	35%	0.351	S	S	*	.	H	α-helix	trans	-66	-37.1	-178.2	-62.8	-26.3	0	0	0	112.2	S290 L294 L295 K296	S290-D292 PolarHBondContact O-N 3.31Å; D292-L294 VanDerWaalsContact C-N 3.34Å; D292-L295 PolarHBondContact O-N 3.04Å; D292-K296 VanDerWaalsContact O-CB 3.22Å; D292-K296 WeakPolarHBondContact O-CB 3.49Å; D292-K296 PolarHBondContact O-N 3.01Å
293	Q	86.2	Confident	78.8	Confident	65 Å²	65	64 Å²	64	30%	0.304	33%	0.329	S	S	.	.	H	α-helix	trans	-64.9	-40.5	174.7	-71.1	170.7	-41.5	0	0	111.2	Y258 C289 S290 R291 K296 A297	Y258-Q293 HydrophobicContact CD1-CB 4.08Å; Y258-Q293 HydrophobicContact CD1-CG 4.45Å; Y258-Q293 WeakPolarHBondContact CD2-O 3.44Å; Y258-Q293 HydrophobicContact CE1-CB 3.71Å; Y258-Q293 HydrophobicContact CE1-CG 3.61Å; Y258-Q293 HydrophobicContact CE2-CB 4.21Å; Y258-Q293 HydrophobicContact CE2-CG 4.43Å; Y258-Q293 HydrophobicContact CG-CB 4.49Å; C289-Q293 WeakPolarHBondContact SG-CB 3.28Å; C289-Q293 PolarHBondContact SG-OE1 3.5Å; S290-Q293 WeakPolarHBondContact O-CB 3.36Å; S290-Q293 PolarHBondContact O-N 2.74Å; S290-Q293 VanDerWaalsContact OG-CD 3.25Å; S290-Q293 WeakPolarHBondContact OG-CG 3.28Å; S290-Q293 PolarHBondContact OG-N 3.03Å; S290-Q293 PolarHBondContact OG-OE1 3.33Å; R291-Q293 VanDerWaalsContact C-N 3.33Å; R291-Q293 PolarHBondContact O-N 3.03Å; Q293-K296 PolarHBondContact O-N 3.4Å; Q293-A297 PolarHBondContact O-N 3.47Å
294	L	85.5	Confident	80.5	Confident	12 Å²	12	60 Å²	60	6%	0.063	30%	0.301	C	S	.	.	H	α-helix	trans	-62.8	-51.7	174.4	-174.4	74.2	0	0	0	111.2	Y251 V254 W280 S290 R291 D292 K296 A297 M298	Y251-L294 HydrophobicContact CD1-CD1 4.37Å; Y251-L294 HydrophobicContact CD1-CD2 4.11Å; Y251-L294 HydrophobicContact CE1-CD2 3.86Å; V254-L294 HydrophobicContact CB-CD1 4.02Å; V254-L294 HydrophobicContact CG1-CD1 3.55Å; W280-L294 HydrophobicContact CB-CD2 4.05Å; S290-L294 PolarHBondContact O-N 3.37Å; R291-L294 WeakPolarHBondContact O-CB 3.27Å; R291-L294 PolarHBondContact O-N 3.07Å; D292-L294 VanDerWaalsContact C-N 3.34Å; L294-K296 VanDerWaalsContact C-N 3.25Å; L294-K296 PolarHBondContact O-N 3.26Å; L294-A297 PolarHBondContact O-N 3.46Å; L294-A297 VanDerWaalsContact O-N 3.12Å; L294-M298 HydrophobicContact CD1-SD 4.36Å; L294-M298 HydrophobicContact CD2-CE 4.13Å; L294-M298 HydrophobicContact CD2-SD 4.47Å; L294-M298 HydrophobicContact CG-CE 3.8Å; L294-M298 HydrophobicContact CG-SD 4.03Å; L294-M298 VanDerWaalsContact O-CG 3.32Å; L294-M298 WeakPolarHBondContact O-CG 3.39Å; L294-M298 PolarHBondContact O-N 3.01Å
295	L	86.7	Confident	81.8	Confident	14 Å²	14	59.6 Å²	59.6	7%	0.073	30%	0.295	C	S	.	.	H	α-helix	trans	-59.2	-37.4	178.6	-71.1	173	0	0	0	112.1	R291 D292 M298 R299 F405	R291-L295 HydrophobicContact CG-CD1 4.05Å; R291-L295 HydrophobicContact CG-CG 4.39Å; R291-L295 WeakPolarHBondContact O-CG 3.36Å; R291-L295 PolarHBondContact O-N 3.28Å; D292-L295 PolarHBondContact O-N 3.04Å; L295-M298 HydrophobicContact CD2-CE 3.77Å; L295-M298 HydrophobicContact CG-CE 4.46Å; L295-M298 PolarHBondContact O-N 3.36Å; L295-R299 PolarHBondContact O-N 3.43Å; L295-F405 HydrophobicContact CD2-CE1 4.15Å; L295-F405 HydrophobicContact CD2-CZ 3.77Å
296	K	87.2	Confident	83.1	Confident	114 Å²	114	51 Å²	51	50%	0.496	26%	0.258	S	S	.	.	H	α-helix	trans	-65	-41.4	175.8	-172.2	173.8	-180	-178.7	0	112.3	Y258 Y263 D292 Q293 L294 R299	Y258-K296 HydrophobicContact CE2-CD 4.26Å; Y263-K296 HydrophobicContact CD2-CG 4.47Å; Y263-K296 HydrophobicContact CE2-CD 4.22Å; Y263-K296 HydrophobicContact CE2-CG 3.83Å; D292-K296 VanDerWaalsContact O-CB 3.22Å; D292-K296 WeakPolarHBondContact O-CB 3.49Å; D292-K296 PolarHBondContact O-N 3.01Å; Q293-K296 PolarHBondContact O-N 3.4Å; L294-K296 VanDerWaalsContact C-N 3.25Å; L294-K296 PolarHBondContact O-N 3.26Å; K296-R299 WeakPolarHBondContact O-CB 3.38Å; K296-R299 PolarHBondContact O-N 2.81Å
297	A	88.1	Confident	84.1	Confident	11 Å²	11	43.3 Å²	43.3	9%	0.091	22%	0.223	C	C	.	.	H	α-helix	trans	-69.9	-35.3	178.5	0	0	0	0	0	112.8	V254 Y258 Q293 L294 R299	V254-A297 HydrophobicContact CG1-CB 3.59Å; Y258-A297 HydrophobicContact CD2-CB 3.95Å; Y258-A297 HydrophobicContact CG-CB 4.32Å; Q293-A297 PolarHBondContact O-N 3.47Å; L294-A297 PolarHBondContact O-N 3.46Å; L294-A297 VanDerWaalsContact O-N 3.12Å; A297-R299 VanDerWaalsContact C-N 3.29Å; A297-R299 PolarHBondContact O-N 3.45Å
298	M	87.8	Confident	84.6	Confident	3 Å²	3	42.3 Å²	42.3	2%	0.015	22%	0.219	C	C	.	.	H	α-helix	trans	-79.4	-9.6	179.3	-65	-175.2	-53.1	0	0	113.7	V254 W279 W280 L294 L295 G300 H301 F405	V254-M298 HydrophobicContact CG1-CG 3.68Å; V254-M298 HydrophobicContact CG2-CG 4.27Å; W279-M298 HydrophobicContact CH2-SD 3.23Å; W279-M298 WeakPolarHBondContact CH2-SD 3.36Å; W279-M298 HydrophobicContact CZ2-SD 3.32Å; W279-M298 WeakPolarHBondContact CZ2-SD 3.39Å; W279-M298 HydrophobicContact CZ3-SD 4.36Å; W280-M298 HydrophobicContact CB-CE 3.75Å; W280-M298 HydrophobicContact CB-SD 4.28Å; W280-M298 HydrophobicContact CG-CE 4.05Å; L294-M298 HydrophobicContact CD1-SD 4.36Å; L294-M298 HydrophobicContact CD2-CE 4.13Å; L294-M298 HydrophobicContact CD2-SD 4.47Å; L294-M298 HydrophobicContact CG-CE 3.8Å; L294-M298 HydrophobicContact CG-SD 4.03Å; L294-M298 VanDerWaalsContact O-CG 3.32Å; L294-M298 WeakPolarHBondContact O-CG 3.39Å; L294-M298 PolarHBondContact O-N 3.01Å; L295-M298 HydrophobicContact CD2-CE 3.77Å; L295-M298 HydrophobicContact CG-CE 4.46Å; L295-M298 PolarHBondContact O-N 3.36Å; M298-G300 PolarHBondContact O-N 3.25Å; M298-G300 VanDerWaalsContact O-N 3.09Å; M298-H301 PolarHBondContact O-N 3.06Å; M298-H301 PolarHBondContact O-ND1 2.8Å; M298-F405 HydrophobicContact CB-CD1 4.23Å; M298-F405 HydrophobicContact CB-CE1 4.38Å; M298-F405 HydrophobicContact CE-CZ 4.48Å
299	R	89.5	Confident	84.9	Confident	140 Å²	140	39.3 Å²	39.3	53%	0.528	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	119.3	-171.2	-178.1	175.4	175.1	167.9	-2.2	111.7	L295 K296 A297	L295-R299 PolarHBondContact O-N 3.43Å; K296-R299 WeakPolarHBondContact O-CB 3.38Å; K296-R299 PolarHBondContact O-N 2.81Å; A297-R299 VanDerWaalsContact C-N 3.29Å; A297-R299 PolarHBondContact O-N 3.45Å
300	G	90.3	Very high	84.7	Confident	16 Å²	16	41.6 Å²	41.6	17%	0.165	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	5.7	171.2	0	0	0	0	0	115.9	M298 Q404 F405	M298-G300 PolarHBondContact O-N 3.25Å; M298-G300 VanDerWaalsContact O-N 3.09Å; G300-Q404 PolarHBondContact O-NE2 3.01Å; G300-F405 WeakPolarHBondContact CA-O 3.29Å; G300-F405 PolarHBondContact N-O 2.83Å; G300-F405 VanDerWaalsContact N-O 3.11Å
301	H	92.3	Very high	83.6	Confident	7 Å²	7	42 Å²	42	3%	0.032	20%	0.202	C	C	.	.			trans	-64.4	151.4	174	77.9	-86.7	0	0	0	111.7	W269 M298 Q404 F405 Y412	W269-H301 HydrophobicContact CB-CB 3.81Å; M298-H301 PolarHBondContact O-N 3.06Å; M298-H301 PolarHBondContact O-ND1 2.8Å; H301-Q404 WeakPolarHBondContact O-CA 3.49Å; H301-F405 WeakPolarHBondContact CE1-CB 3.49Å; H301-F405 AromaticContact CE1-CG 3.77Å; H301-F405 WeakPolarHBondContact ND1-CB 3.29Å; H301-F405 PolarHBondContact O-N 3.38Å; H301-Y412 AromaticContact CE1-CE1 3.76Å; H301-Y412 AromaticContact CE1-CZ 3.93Å; H301-Y412 PolarHBondContact CE1-OH 2.7Å; H301-Y412 AromaticContact NE2-CE1 3.32Å; H301-Y412 VanDerWaalsContact NE2-CE1 3.32Å; H301-Y412 WeakPolarHBondContact NE2-CE1 3.29Å; H301-Y412 AromaticContact NE2-CZ 3.47Å; H301-Y412 PolarHBondContact NE2-OH 3.45Å
302	F	94	Very high	82.5	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	144.6	174.4	-63.5	-88.7	0	0	0	110.1	F174 V268 W269 I270 I271 I402 I403 Q404 V415 I432 W434	F174-F302 HydrophobicContact CE1-CD2 4.36Å; F174-F302 HydrophobicContact CE1-CG 4.29Å; F174-F302 AromaticContact CZ-CD1 3.88Å; F174-F302 HydrophobicContact CZ-CD1 3.88Å; F174-F302 HydrophobicContact CZ-CD2 4.17Å; F174-F302 AromaticContact CZ-CE1 3.98Å; F174-F302 HydrophobicContact CZ-CE1 3.98Å; F174-F302 HydrophobicContact CZ-CE2 4.27Å; F174-F302 AromaticContact CZ-CG 3.97Å; F174-F302 HydrophobicContact CZ-CG 3.97Å; F174-F302 HydrophobicContact CZ-CZ 4.17Å; V268-F302 HydrophobicContact CG1-CD2 3.72Å; V268-F302 HydrophobicContact CG1-CE2 3.93Å; W269-F302 PolarHBondContact O-N 2.66Å; I270-F302 WeakPolarHBondContact CA-O 3.48Å; I270-F302 HydrophobicContact CG1-CB 4.44Å; I271-F302 WeakPolarHBondContact CG1-O 3.36Å; I271-F302 PolarHBondContact N-O 3.14Å; F302-I402 HydrophobicContact CD1-CG2 4.07Å; F302-I403 CarbonylContact C-O 3.54Å; F302-I403 VanDerWaalsContact CA-O 3.29Å; F302-I403 WeakPolarHBondContact CA-O 3.42Å; F302-Q404 HydrophobicContact CD1-CB 3.92Å; F302-Q404 HydrophobicContact CD1-CG 4Å; F302-Q404 HydrophobicContact CE1-CB 3.86Å; F302-Q404 HydrophobicContact CE1-CG 3.75Å; F302-Q404 HydrophobicContact CZ-CG 4.08Å; F302-V415 HydrophobicContact CD1-CG2 4.21Å; F302-V415 HydrophobicContact CE1-CG2 4.07Å; F302-I432 HydrophobicContact CE1-CD1 4.43Å; F302-I432 HydrophobicContact CE1-CG2 4.44Å; F302-I432 HydrophobicContact CZ-CG2 4.07Å; F302-W434 AromaticContact CE2-CH2 3.59Å; F302-W434 HydrophobicContact CE2-CH2 3.59Å; F302-W434 HydrophobicContact CE2-CZ2 4.48Å; F302-W434 AromaticContact CE2-CZ3 3.71Å; F302-W434 HydrophobicContact CE2-CZ3 3.71Å; F302-W434 AromaticContact CZ-CH2 3.63Å; F302-W434 HydrophobicContact CZ-CH2 3.63Å; F302-W434 HydrophobicContact CZ-CZ2 4.09Å; F302-W434 HydrophobicContact CZ-CZ3 4.03Å
303	A	91.6	Very high	80.8	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	147.6	170.3	0	0	0	0	0	109.9	I271 I403 Y412	I271-A303 HydrophobicContact CD1-CB 4.34Å; I271-A303 HydrophobicContact CG1-CB 3.79Å; I271-A303 CarbonylContact O-C 3.56Å; I271-A303 VanDerWaalsContact O-CA 3.29Å; I271-A303 WeakPolarHBondContact O-CA 3.42Å; A303-I403 HydrophobicContact CB-CD1 4.07Å; A303-I403 HydrophobicContact CB-CG1 3.77Å; A303-I403 PolarHBondContact N-O 2.98Å; A303-I403 WeakPolarHBondContact O-CG1 3.4Å; A303-I403 PolarHBondContact O-N 3.43Å; A303-Y412 HydrophobicContact CB-CE1 4.4Å
304	L	91.9	Very high	79	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	127.2	176.1	-80	74.7	0	0	0	109.8	A170 R171 I270 I271 G273 I400 E401 I402	A170-L304 HydrophobicContact CB-CD2 3.75Å; R171-L304 HydrophobicContact CB-CD2 4.47Å; R171-L304 HydrophobicContact CG-CD2 3.63Å; I270-L304 HydrophobicContact CG2-CD1 3.58Å; I271-L304 PolarHBondContact O-N 3.26Å; G273-L304 PolarHBondContact N-O 2.9Å; L304-I400 HydrophobicContact CB-CG2 4.05Å; L304-I400 HydrophobicContact CD2-CG2 4.1Å; L304-I400 HydrophobicContact CG-CG2 4.27Å; L304-E401 WeakPolarHBondContact CA-O 3.5Å; L304-I402 HydrophobicContact CD1-CG2 4.5Å; L304-I402 HydrophobicContact CG-CG1 4.28Å
305	Q	87.8	Confident	77.5	Confident	45 Å²	45	49.2 Å²	49.2	21%	0.21	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	160.7	178.2	66.1	179.4	21.8	0	0	110.4	G273 F274 I400 E401 I403	G273-Q305 PolarHBondContact O-OE1 3.18Å; F274-Q305 HydrophobicContact CD1-CB 4.47Å; F274-Q305 HydrophobicContact CE1-CB 4.17Å; Q305-I400 CarbonylContact O-C 3.58Å; Q305-I400 WeakPolarHBondContact O-CA 3.28Å; Q305-I400 WeakPolarHBondContact O-CG2 3.41Å; Q305-E401 HydrophobicContact CG-CB 4.14Å; Q305-E401 PolarHBondContact N-O 3.03Å; Q305-E401 PolarHBondContact NE2-OE2 3.47Å; Q305-E401 PolarHBondContact O-N 2.97Å; Q305-I403 HydrophobicContact CG-CD1 4.46Å
306	F	86.3	Confident	75.9	Confident	3 Å²	3	54.1 Å²	54.1	1%	0.013	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	147.7	169.9	54.9	-111.1	0	0	0	110.3	V161 P162 F274 V308 K338 Y339 Y342	V161-F306 HydrophobicContact CG2-CD1 3.91Å; V161-F306 HydrophobicContact CG2-CE1 4.09Å; V161-F306 HydrophobicContact CG2-CG 4.35Å; P162-F306 HydrophobicContact CG-CB 4.1Å; F274-F306 HydrophobicContact CD1-CD1 4.02Å; F274-F306 AromaticContact CD1-CE1 3.71Å; F274-F306 HydrophobicContact CD1-CE1 3.71Å; F274-F306 HydrophobicContact CD1-CZ 4.46Å; F274-F306 AromaticContact CE1-CD1 3.27Å; F274-F306 HydrophobicContact CE1-CD1 3.27Å; F274-F306 AromaticContact CE1-CE1 3.46Å; F274-F306 HydrophobicContact CE1-CE1 3.46Å; F274-F306 VanDerWaalsContact CE1-CE1 3.46Å; F274-F306 HydrophobicContact CE1-CG 4.14Å; F274-F306 HydrophobicContact CE1-CZ 4.47Å; F274-F306 HydrophobicContact CZ-CD1 4.08Å; F274-F306 HydrophobicContact CZ-CE1 4.47Å; F306-V308 HydrophobicContact CE2-CG2 4.37Å; F306-V308 PolarHBondContact O-N 2.93Å; F306-K338 HydrophobicContact CE2-CB 4.15Å; F306-K338 HydrophobicContact CE2-CD 4.09Å; F306-K338 HydrophobicContact CE2-CG 4.06Å; F306-K338 HydrophobicContact CZ-CB 4.5Å; F306-K338 HydrophobicContact CZ-CD 3.66Å; F306-K338 HydrophobicContact CZ-CG 3.91Å; F306-Y339 HydrophobicContact CE1-CE1 4.09Å; F306-Y339 HydrophobicContact CZ-CD1 4.18Å; F306-Y339 AromaticContact CZ-CE1 3.62Å; F306-Y339 HydrophobicContact CZ-CE1 3.62Å; F306-Y342 WeakPolarHBondContact CB-OH 3.37Å; F306-Y342 AromaticContact CD2-CE2 3.47Å; F306-Y342 HydrophobicContact CD2-CE2 3.47Å; F306-Y342 VanDerWaalsContact CD2-CE2 3.47Å; F306-Y342 AromaticContact CD2-CZ 3.91Å; F306-Y342 WeakPolarHBondContact CD2-OH 3.23Å; F306-Y342 AromaticContact CE2-CE2 3.67Å; F306-Y342 HydrophobicContact CE2-CE2 3.67Å; F306-Y342 HydrophobicContact CG-CE2 4.13Å; F306-Y342 HydrophobicContact CZ-CE2 4.47Å
307	S	80.2	Confident	75	Confident	8 Å²	8	52.3 Å²	52.3	6%	0.056	27%	0.268	C	S	.	.			trans	-73.2	126.5	179.8	-171.4	0	0	0	0	111.6	I309 Y342 Y386 T399 E401	S307-I309 PolarHBondContact OG-O 3.5Å; S307-I309 VanDerWaalsContact OG-O 3.14Å; S307-Y342 PolarHBondContact O-OH 3.09Å; S307-Y386 WeakPolarHBondContact O-CD1 3.16Å; S307-T399 PolarHBondContact N-O 3.34Å; S307-T399 VanDerWaalsContact N-O 3.09Å; S307-E401 PolarHBondContact OG-OE1 3.47Å
308	V	73.8	Confident	74.3	Confident	27 Å²	27	52.2 Å²	52.2	16%	0.164	27%	0.267	C	S	.	.	S	Bend	trans	-84.8	-24.1	179.7	-176.4	0	0	0	0	112.5	F306 Y336 K338 Y386	F306-V308 HydrophobicContact CE2-CG2 4.37Å; F306-V308 PolarHBondContact O-N 2.93Å; V308-Y336 HydrophobicContact CG1-CE1 4.41Å; V308-K338 HydrophobicContact CG1-CB 4.5Å; V308-K338 HydrophobicContact CG2-CB 3.88Å; V308-Y386 WeakPolarHBondContact O-CE1 3.3Å; V308-Y386 PolarHBondContact O-OH 2.87Å
309	I	71.5	Confident	73.8	Confident	47 Å²	47	57.6 Å²	57.6	24%	0.241	29%	0.292	C	S	.	.	S	Bend	trans	-151.2	138.4	175.6	-60.3	-179.9	0	0	0	107.7	S307 S311 A318 D322 Y336	S307-I309 PolarHBondContact OG-O 3.5Å; S307-I309 VanDerWaalsContact OG-O 3.14Å; I309-S311 PolarHBondContact O-N 3.49Å; I309-S311 VanDerWaalsContact O-N 3.14Å; I309-A318 HydrophobicContact CG2-CB 4.39Å; I309-D322 HydrophobicContact CD1-CB 3.81Å; I309-D322 VanDerWaalsContact CD1-CG 3.43Å; I309-D322 WeakPolarHBondContact CD1-OD1 3.41Å; I309-Y336 WeakPolarHBondContact CD1-OH 3.35Å
310	R	65.7	Low	73.4	Confident	70 Å²	70	55.3 Å²	55.3	26%	0.264	29%	0.287	S	S	.	.			trans	-57.9	119.6	173.6	-154.6	177.2	83.7	120.3	17.8	110.3	D312 T314 I315 F385	R310-D312 HydrophobicContact CG-CB 4.39Å; R310-D312 IonicContact CZ-OD2 2.83Å; R310-D312 IonicContact NH1-OD2 2.62Å; R310-D312 PolarHBondContact NH2-O 3.06Å; R310-D312 IonicContact NH2-OD2 3.45Å; R310-D312 PolarHBondContact NH2-OD2 3.42Å; R310-D312 PolarHBondContact O-N 3.47Å; R310-T314 PolarHBondContact NH2-OG1 2.48Å; R310-I315 VanDerWaalsContact CZ-CD1 3.45Å; R310-I315 VanDerWaalsContact NH2-CG1 3.29Å; R310-F385 VanDerWaalsContact CB-O 3.31Å; R310-F385 WeakPolarHBondContact CB-O 3.38Å
311	S	56.5	Low	73.2	Confident	65 Å²	65	55.1 Å²	55.1	46%	0.455	28%	0.282	S	S	.	.			trans	-66.7	-21.5	179.8	46.7	0	0	0	0	113.5	I309 R313 Q417	I309-S311 PolarHBondContact O-N 3.49Å; I309-S311 VanDerWaalsContact O-N 3.14Å; S311-R313 PolarHBondContact O-N 3.06Å; S311-Q417 VanDerWaalsContact OG-CD 3.25Å; S311-Q417 PolarHBondContact OG-NE2 3.18Å; S311-Q417 PolarHBondContact OG-OE1 3.35Å
312	D	56.1	Low	72.8	Confident	72 Å²	72	55.8 Å²	55.8	39%	0.385	29%	0.286	S	S	.	.			trans	-72.1	96.9	-179.5	-177.8	10.3	0	0	0	111	R310 T314	R310-D312 HydrophobicContact CG-CB 4.39Å; R310-D312 IonicContact CZ-OD2 2.83Å; R310-D312 IonicContact NH1-OD2 2.62Å; R310-D312 PolarHBondContact NH2-O 3.06Å; R310-D312 IonicContact NH2-OD2 3.45Å; R310-D312 PolarHBondContact NH2-OD2 3.42Å; R310-D312 PolarHBondContact O-N 3.47Å; D312-T314 PolarHBondContact O-N 3.03Å; D312-T314 WeakPolarHBondContact OD1-CB 3.42Å; D312-T314 WeakPolarHBondContact OD1-CG2 3.34Å; D312-T314 PolarHBondContact OD1-N 3.07Å; D312-T314 PolarHBondContact OD1-OG1 3.27Å; D312-T314 PolarHBondContact OD2-OG1 2.99Å
313	R	48.7	Very low	72.5	Confident	210 Å²	210	62.3 Å²	62.3	79%	0.792	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-5.5	-178.6	-62.8	-176.3	177.5	178.8	-1.2	114.7	S311 I315	S311-R313 PolarHBondContact O-N 3.06Å; R313-I315 PolarHBondContact O-N 3.46Å
314	T	47.3	Very low	72.4	Confident	105 Å²	105	65 Å²	65	64%	0.644	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-19	-174.5	53.4	0	0	0	0	113.9	R310 D312	R310-T314 PolarHBondContact NH2-OG1 2.48Å; D312-T314 PolarHBondContact O-N 3.03Å; D312-T314 WeakPolarHBondContact OD1-CB 3.42Å; D312-T314 WeakPolarHBondContact OD1-CG2 3.34Å; D312-T314 PolarHBondContact OD1-N 3.07Å; D312-T314 PolarHBondContact OD1-OG1 3.27Å; D312-T314 PolarHBondContact OD2-OG1 2.99Å
315	I	53.7	Low	72.3	Confident	77 Å²	77	65 Å²	65	40%	0.395	33%	0.326	S	S	.	.			trans	-108.6	99.8	178.5	-47.1	175.9	0	0	0	109	R310 R313 T317 A318	R310-I315 VanDerWaalsContact CZ-CD1 3.45Å; R310-I315 VanDerWaalsContact NH2-CG1 3.29Å; R313-I315 PolarHBondContact O-N 3.46Å; I315-T317 HydrophobicContact CG2-CG2 3.98Å; I315-T317 WeakPolarHBondContact CG2-OG1 3.1Å; I315-T317 PolarHBondContact O-N 3.39Å; I315-A318 PolarHBondContact O-N 3.19Å
316	V	52.8	Low	72.4	Confident	117 Å²	117	68.7 Å²	68.7	71%	0.709	34%	0.338	S	S	*	.	H	α-helix	trans	-47.7	-23.9	177.7	178.4	0	0	0	0	112.8	A318 Q320	V316-A318 PolarHBondContact O-N 3.45Å; V316-Q320 WeakPolarHBondContact O-CB 3.29Å; V316-Q320 PolarHBondContact O-N 2.92Å
317	T	69.2	Low	72.7	Confident	76 Å²	76	72 Å²	72	47%	0.466	36%	0.359	S	S	.	.	H	α-helix	trans	-66.1	-35.8	-177	64.5	0	0	0	0	114	I315 Q320 Y321	I315-T317 HydrophobicContact CG2-CG2 3.98Å; I315-T317 WeakPolarHBondContact CG2-OG1 3.1Å; I315-T317 PolarHBondContact O-N 3.39Å; T317-Q320 PolarHBondContact O-N 2.89Å; T317-Y321 WeakPolarHBondContact O-CB 3.25Å; T317-Y321 PolarHBondContact O-N 3.25Å
318	A	73.8	Confident	73.2	Confident	9 Å²	9	75.5 Å²	75.5	7%	0.074	38%	0.375	C	S	.	.	H	α-helix	trans	-71.5	-43.7	-175.2	0	0	0	0	0	112.9	I309 I315 V316 Q320 Y321 D322 F385	I309-A318 HydrophobicContact CG2-CB 4.39Å; I315-A318 PolarHBondContact O-N 3.19Å; V316-A318 PolarHBondContact O-N 3.45Å; A318-Q320 VanDerWaalsContact C-N 3.31Å; A318-Y321 PolarHBondContact O-N 2.96Å; A318-D322 PolarHBondContact O-N 2.67Å; A318-F385 HydrophobicContact CB-CD1 4.42Å
319	Q	76.2	Confident	74	Confident	116 Å²	116	74.7 Å²	74.7	54%	0.542	37%	0.371	S	S	.	.	H	α-helix	trans	-66.8	-36.5	175	-66.5	-179.5	-6.5	0	0	111.5	K323	Q319-K323 WeakPolarHBondContact O-CB 3.3Å; Q319-K323 PolarHBondContact O-N 3.32Å
320	Q	82.4	Confident	74.8	Confident	91 Å²	91	80.1 Å²	80.1	43%	0.425	39%	0.388	S	S	.	.	H	α-helix	trans	-65.4	-45.3	176.1	-178.6	61.3	18.2	0	0	111.5	V316 T317 A318 K323 E324	V316-Q320 WeakPolarHBondContact O-CB 3.29Å; V316-Q320 PolarHBondContact O-N 2.92Å; T317-Q320 PolarHBondContact O-N 2.89Å; A318-Q320 VanDerWaalsContact C-N 3.31Å; Q320-K323 WeakPolarHBondContact O-CB 3.07Å; Q320-K323 PolarHBondContact O-N 3.09Å; Q320-E324 PolarHBondContact NE2-OE1 3.34Å; Q320-E324 VanDerWaalsContact NE2-OE1 3.11Å; Q320-E324 PolarHBondContact O-N 3.29Å
321	Y	85.4	Confident	75.6	Confident	12 Å²	12	81.9 Å²	81.9	5%	0.047	41%	0.409	C	S	.	.	H	α-helix	trans	-60.1	-47.9	174.1	163	-99.5	0	0	0	111.9	A61 L64 T317 A318 K323 E324 Y325 H340 Y344 F385	A61-Y321 WeakPolarHBondContact CB-OH 3.38Å; L64-Y321 HydrophobicContact CB-CE2 4.41Å; L64-Y321 HydrophobicContact CD1-CD2 4.19Å; L64-Y321 HydrophobicContact CD1-CE2 3.83Å; T317-Y321 WeakPolarHBondContact O-CB 3.25Å; T317-Y321 PolarHBondContact O-N 3.25Å; A318-Y321 PolarHBondContact O-N 2.96Å; Y321-K323 VanDerWaalsContact C-N 3.26Å; Y321-K323 PolarHBondContact O-N 2.9Å; Y321-E324 PolarHBondContact O-N 3.49Å; Y321-E324 VanDerWaalsContact O-N 3.08Å; Y321-Y325 WeakPolarHBondContact O-CB 3.25Å; Y321-Y325 PolarHBondContact O-N 3.01Å; Y321-H340 AromaticContact CE1-CE1 3.55Å; Y321-H340 AromaticContact CE1-ND1 3.46Å; Y321-H340 WeakPolarHBondContact CE1-ND1 3.33Å; Y321-H340 AromaticContact CZ-ND1 3.68Å; Y321-H340 PolarHBondContact OH-ND1 3.11Å; Y321-H340 VanDerWaalsContact OH-ND1 3.16Å; Y321-H340 PolarHBondContact OH-O 3.48Å; Y321-Y344 AromaticContact CD2-CD2 3.97Å; Y321-Y344 HydrophobicContact CD2-CD2 3.97Å; Y321-Y344 HydrophobicContact CD2-CE2 4.03Å; Y321-Y344 AromaticContact CE2-CD2 3.39Å; Y321-Y344 HydrophobicContact CE2-CD2 3.39Å; Y321-Y344 AromaticContact CE2-CE2 3.92Å; Y321-Y344 HydrophobicContact CE2-CE2 3.92Å; Y321-Y344 AromaticContact CE2-CG 3.89Å; Y321-Y344 HydrophobicContact CE2-CG 3.89Å; Y321-F385 VanDerWaalsContact CB-CE1 3.4Å; Y321-F385 HydrophobicContact CD1-CD1 4.02Å; Y321-F385 HydrophobicContact CD1-CE1 4.49Å; Y321-F385 HydrophobicContact CD2-CE1 4.48Å; Y321-F385 AromaticContact CG-CD1 3.89Å; Y321-F385 HydrophobicContact CG-CD1 3.89Å; Y321-F385 AromaticContact CG-CE1 3.89Å; Y321-F385 HydrophobicContact CG-CE1 3.89Å
322	D	84	Confident	76.8	Confident	22 Å²	22	84.9 Å²	84.9	12%	0.118	43%	0.427	C	S	.	.	H	α-helix	trans	-60.5	-39.6	179.6	-174.4	56.7	0	0	0	111.2	I309 A318 Y325 R326 Y336 H340	I309-D322 HydrophobicContact CD1-CB 3.81Å; I309-D322 VanDerWaalsContact CD1-CG 3.43Å; I309-D322 WeakPolarHBondContact CD1-OD1 3.41Å; A318-D322 PolarHBondContact O-N 2.67Å; D322-Y325 PolarHBondContact O-N 2.97Å; D322-R326 WeakPolarHBondContact O-CB 3.43Å; D322-R326 WeakPolarHBondContact O-CG 3.31Å; D322-R326 PolarHBondContact O-N 3.01Å; D322-R326 IonicContact OD1-CZ 2.79Å; D322-R326 IonicContact OD1-NE 3.39Å; D322-R326 PolarHBondContact OD1-NE 3.21Å; D322-R326 IonicContact OD1-NH2 3.91Å; D322-R326 IonicContact OD2-CZ 3.31Å; D322-R326 IonicContact OD2-NE 3.67Å; D322-R326 PolarHBondContact OD2-NE 3.23Å; D322-R326 IonicContact OD2-NH2 2.89Å; D322-R326 PolarHBondContact OD2-NH2 3.12Å; D322-Y336 VanDerWaalsContact OD1-CE2 3.28Å; D322-Y336 WeakPolarHBondContact OD1-CE2 3.37Å; D322-Y336 PolarHBondContact OD1-OH 3.42Å; D322-H340 IonicContact OD1-CE1 3.95Å
323	K	87.3	Confident	78	Confident	137 Å²	137	92.2 Å²	92.2	60%	0.596	45%	0.449	S	S	*	.	H	α-helix	trans	-62.4	-43	173.5	-173.5	-179.6	178.6	-176.8	0	112.3	Q319 Q320 Y321 T327	Q319-K323 WeakPolarHBondContact O-CB 3.3Å; Q319-K323 PolarHBondContact O-N 3.32Å; Q320-K323 WeakPolarHBondContact O-CB 3.07Å; Q320-K323 PolarHBondContact O-N 3.09Å; Y321-K323 VanDerWaalsContact C-N 3.26Å; Y321-K323 PolarHBondContact O-N 2.9Å; K323-T327 WeakPolarHBondContact O-CB 3.41Å; K323-T327 PolarHBondContact O-N 3.33Å; K323-T327 PolarHBondContact O-OG1 3.24Å
324	E	89.6	Confident	79.8	Confident	55 Å²	55	82.6 Å²	82.6	26%	0.257	41%	0.414	S	S	.	.	H	α-helix	trans	-65.6	-46.1	176.3	-76.6	-174.6	-149.7	0	0	112	L64 R67 Q320 Y321 R326 T327 M328	L64-E324 HydrophobicContact CD1-CB 4.47Å; L64-E324 HydrophobicContact CD2-CB 4.49Å; R67-E324 IonicContact CZ-OE2 2.79Å; R67-E324 IonicContact NH1-OE2 2.74Å; R67-E324 PolarHBondContact NH1-OE2 2.84Å; R67-E324 IonicContact NH2-OE2 2.84Å; R67-E324 PolarHBondContact NH2-OE2 3.49Å; Q320-E324 PolarHBondContact NE2-OE1 3.34Å; Q320-E324 VanDerWaalsContact NE2-OE1 3.11Å; Q320-E324 PolarHBondContact O-N 3.29Å; Y321-E324 PolarHBondContact O-N 3.49Å; Y321-E324 VanDerWaalsContact O-N 3.08Å; E324-R326 PolarHBondContact O-N 3.42Å; E324-T327 WeakPolarHBondContact O-CB 3.35Å; E324-T327 PolarHBondContact O-N 3.48Å; E324-T327 VanDerWaalsContact O-N 3.08Å; E324-M328 PolarHBondContact O-N 3.14Å
325	Y	90.5	Very high	81.6	Confident	0 Å²	0	85.5 Å²	85.5	0%	0	41%	0.413	C	S	.	.	H	α-helix	trans	-59.2	-48.3	176.6	173.8	-106.5	0	0	0	111.3	N57 P60 A61 Y321 D322 T327 M328 C329 Y336 S337 H340	N57-Y325 WeakPolarHBondContact O-CE2 3.37Å; N57-Y325 PolarHBondContact O-OH 2.91Å; P60-Y325 HydrophobicContact CB-CD2 4.04Å; P60-Y325 HydrophobicContact CB-CE2 3.99Å; P60-Y325 HydrophobicContact CG-CE2 4.48Å; A61-Y325 HydrophobicContact CB-CD2 4.08Å; A61-Y325 HydrophobicContact CB-CE2 4.04Å; Y321-Y325 WeakPolarHBondContact O-CB 3.25Å; Y321-Y325 PolarHBondContact O-N 3.01Å; D322-Y325 PolarHBondContact O-N 2.97Å; Y325-T327 PolarHBondContact O-N 3.14Å; Y325-M328 PolarHBondContact O-N 3.06Å; Y325-C329 HydrophobicContact CD2-CB 4.47Å; Y325-C329 HydrophobicContact CE1-CB 4.26Å; Y325-C329 HydrophobicContact CE2-CB 4.08Å; Y325-C329 VanDerWaalsContact O-CB 3.24Å; Y325-C329 WeakPolarHBondContact O-CB 3.41Å; Y325-C329 PolarHBondContact O-N 3.36Å; Y325-Y336 AromaticContact CD1-CD2 4Å; Y325-Y336 HydrophobicContact CD1-CD2 4Å; Y325-Y336 AromaticContact CD1-CE2 3.8Å; Y325-Y336 HydrophobicContact CD1-CE2 3.8Å; Y325-Y336 AromaticContact CE1-CD2 3.62Å; Y325-Y336 HydrophobicContact CE1-CD2 3.62Å; Y325-Y336 AromaticContact CE1-CE2 3.77Å; Y325-Y336 HydrophobicContact CE1-CE2 3.77Å; Y325-Y336 HydrophobicContact CE1-CG 4.4Å; Y325-S337 PolarHBondContact OH-N 2.86Å; Y325-H340 HydrophobicContact CD1-CB 4.22Å; Y325-H340 AromaticContact CD1-CE1 3.87Å; Y325-H340 AromaticContact CD1-CG 3.84Å; Y325-H340 AromaticContact CD1-ND1 3.33Å; Y325-H340 VanDerWaalsContact CD1-ND1 3.33Å; Y325-H340 WeakPolarHBondContact CD1-ND1 3.45Å; Y325-H340 HydrophobicContact CD2-CB 4.24Å; Y325-H340 HydrophobicContact CE1-CB 3.66Å; Y325-H340 AromaticContact CE1-CG 3.59Å; Y325-H340 AromaticContact CE1-ND1 3.61Å; Y325-H340 HydrophobicContact CE2-CB 3.69Å; Y325-H340 HydrophobicContact CG-CB 4.48Å; Y325-H340 AromaticContact CG-ND1 3.62Å; Y325-H340 AromaticContact CZ-CG 3.88Å
326	R	90.1	Very high	83.1	Confident	123 Å²	123	85.5 Å²	85.5	46%	0.464	41%	0.409	S	S	.	.	H	α-helix	trans	-61.4	-30.3	174.8	-72.2	177.7	-169	-79.4	-5.6	113.1	D322 E324 Y336	D322-R326 WeakPolarHBondContact O-CB 3.43Å; D322-R326 WeakPolarHBondContact O-CG 3.31Å; D322-R326 PolarHBondContact O-N 3.01Å; D322-R326 IonicContact OD1-CZ 2.79Å; D322-R326 IonicContact OD1-NE 3.39Å; D322-R326 PolarHBondContact OD1-NE 3.21Å; D322-R326 IonicContact OD1-NH2 3.91Å; D322-R326 IonicContact OD2-CZ 3.31Å; D322-R326 IonicContact OD2-NE 3.67Å; D322-R326 PolarHBondContact OD2-NE 3.23Å; D322-R326 IonicContact OD2-NH2 2.89Å; D322-R326 PolarHBondContact OD2-NH2 3.12Å; E324-R326 PolarHBondContact O-N 3.42Å; R326-Y336 HydrophobicContact CG-CD2 4.04Å; R326-Y336 HydrophobicContact CG-CE2 3.94Å; R326-Y336 VanDerWaalsContact NH2-CE2 3.32Å; R326-Y336 PolarHBondContact NH2-OH 3.11Å
327	T	91.7	Very high	84.7	Confident	73 Å²	73	80 Å²	80	45%	0.448	38%	0.375	S	S	.	.	H	α-helix	trans	-70.8	-38.1	177.6	-59.9	0	0	0	0	111.4	K323 E324 Y325 R330	K323-T327 WeakPolarHBondContact O-CB 3.41Å; K323-T327 PolarHBondContact O-N 3.33Å; K323-T327 PolarHBondContact O-OG1 3.24Å; E324-T327 WeakPolarHBondContact O-CB 3.35Å; E324-T327 PolarHBondContact O-N 3.48Å; E324-T327 VanDerWaalsContact O-N 3.08Å; Y325-T327 PolarHBondContact O-N 3.14Å; T327-R330 PolarHBondContact O-NE 3.45Å
328	M	91.2	Very high	85.4	Confident	81 Å²	81	78.2 Å²	78.2	40%	0.399	36%	0.361	S	S	.	.	H	α-helix	trans	-80.1	-39	176.7	-64.8	-172.1	-169.6	0	0	112.9	P60 F63 L64 E324 Y325 R330	P60-M328 HydrophobicContact CB-CB 3.96Å; F63-M328 HydrophobicContact CD1-SD 4.26Å; L64-M328 HydrophobicContact CD1-SD 4.27Å; L64-M328 HydrophobicContact CD2-CE 3.37Å; L64-M328 HydrophobicContact CD2-SD 3.95Å; L64-M328 HydrophobicContact CG-CE 4.02Å; L64-M328 HydrophobicContact CG-SD 3.91Å; E324-M328 PolarHBondContact O-N 3.14Å; Y325-M328 PolarHBondContact O-N 3.06Å; M328-R330 PolarHBondContact O-N 2.69Å
329	C	90.4	Very high	86.1	Confident	10 Å²	10	77.9 Å²	77.9	7%	0.068	36%	0.358	C	S	.	.	S	Bend	trans	-88.4	83.8	-178.9	-175.8	0	0	0	0	111.1	P60 Y325 C334 R335	P60-C329 HydrophobicContact CG-CB 4.36Å; Y325-C329 HydrophobicContact CD2-CB 4.47Å; Y325-C329 HydrophobicContact CE1-CB 4.26Å; Y325-C329 HydrophobicContact CE2-CB 4.08Å; Y325-C329 VanDerWaalsContact O-CB 3.24Å; Y325-C329 WeakPolarHBondContact O-CB 3.41Å; Y325-C329 PolarHBondContact O-N 3.36Å; C329-C334 WeakPolarHBondContact CA-SG 2.77Å; C329-C334 HydrophobicContact CB-CB 3.91Å; C329-C334 WeakPolarHBondContact CB-SG 3.29Å; C329-C334 WeakPolarHBondContact SG-CB 3.46Å; C329-C334 CovalentContact SG-SG 2.02Å; C329-C334 PolarHBondContact SG-SG 3.33Å; C329-R335 VanDerWaalsContact SG-C 3.59Å; C329-R335 PolarHBondContact SG-O 3.47Å; C329-R335 VanDerWaalsContact SG-O 3.38Å
330	R	87.4	Confident	86.7	Confident	161 Å²	161	72.4 Å²	72.4	61%	0.608	33%	0.332	S	S	*	.			trans	-104.7	135	178.1	-64.9	-175.6	-174.4	178.7	-2.7	112.4	T327 M328 R333 C334	T327-R330 PolarHBondContact O-NE 3.45Å; M328-R330 PolarHBondContact O-N 2.69Å; R330-R333 PolarHBondContact O-N 3.23Å; R330-C334 CarbonylContact C-O 3.59Å; R330-C334 PolarHBondContact O-N 2.9Å
331	P	83.1	Confident	86.9	Confident	107 Å²	107	68 Å²	68	70%	0.695	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	149.4	167.7	-23.1	33.7	0	0	0	111.6	C334	P331-C334 WeakPolarHBondContact CA-O 3.31Å
332	P	81.9	Confident	87	Confident	128 Å²	128	67.7 Å²	67.7	83%	0.831	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	cis	-87.7	-6	4.3	35.1	-35.6	0	0	0	114.1
333	R	81.4	Confident	87.4	Confident	227 Å²	227	66.6 Å²	66.6	86%	0.857	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-28.9	-172.2	-68.7	-176.2	179.9	169	0	113.7	R330	R330-R333 PolarHBondContact O-N 3.23Å
334	C	86	Confident	87.5	Confident	7 Å²	7	60.4 Å²	60.4	5%	0.047	28%	0.278	C	S	.	.			trans	-135.5	135	-177.8	-173.3	0	0	0	0	109	S56 C329 R330 P331	S56-C334 PolarHBondContact O-SG 3.04Å; S56-C334 VanDerWaalsContact O-SG 3.39Å; C329-C334 WeakPolarHBondContact CA-SG 2.77Å; C329-C334 HydrophobicContact CB-CB 3.91Å; C329-C334 WeakPolarHBondContact CB-SG 3.29Å; C329-C334 WeakPolarHBondContact SG-CB 3.46Å; C329-C334 CovalentContact SG-SG 2.02Å; C329-C334 PolarHBondContact SG-SG 3.33Å; R330-C334 CarbonylContact C-O 3.59Å; R330-C334 PolarHBondContact O-N 2.9Å; P331-C334 WeakPolarHBondContact CA-O 3.31Å
335	R	85.7	Confident	87.4	Confident	167 Å²	167	57.9 Å²	57.9	63%	0.63	27%	0.266	S	S	*	.			trans	-107.3	144.6	170.8	-68.4	-178.9	177.1	-179.8	-2.2	108.8	N57 C329 S337	N57-R335 WeakPolarHBondContact CB-O 3.46Å; N57-R335 VanDerWaalsContact CG-O 3.29Å; N57-R335 PolarHBondContact OD1-N 2.88Å; N57-R335 PolarHBondContact OD1-O 2.95Å; C329-R335 VanDerWaalsContact SG-C 3.59Å; C329-R335 PolarHBondContact SG-O 3.47Å; C329-R335 VanDerWaalsContact SG-O 3.38Å; R335-S337 PolarHBondContact O-N 3.36Å; R335-S337 VanDerWaalsContact O-N 3.1Å
336	Y	85.6	Confident	87.3	Confident	77 Å²	77	57.9 Å²	57.9	30%	0.302	27%	0.266	S	S	.	.			trans	-59.2	118.2	176.5	-171.3	-93.8	0	0	0	109.4	V308 I309 D322 Y325 R326 H340	V308-Y336 HydrophobicContact CG1-CE1 4.41Å; I309-Y336 WeakPolarHBondContact CD1-OH 3.35Å; D322-Y336 VanDerWaalsContact OD1-CE2 3.28Å; D322-Y336 WeakPolarHBondContact OD1-CE2 3.37Å; D322-Y336 PolarHBondContact OD1-OH 3.42Å; Y325-Y336 AromaticContact CD1-CD2 4Å; Y325-Y336 HydrophobicContact CD1-CD2 4Å; Y325-Y336 AromaticContact CD1-CE2 3.8Å; Y325-Y336 HydrophobicContact CD1-CE2 3.8Å; Y325-Y336 AromaticContact CE1-CD2 3.62Å; Y325-Y336 HydrophobicContact CE1-CD2 3.62Å; Y325-Y336 AromaticContact CE1-CE2 3.77Å; Y325-Y336 HydrophobicContact CE1-CE2 3.77Å; Y325-Y336 HydrophobicContact CE1-CG 4.4Å; R326-Y336 HydrophobicContact CG-CD2 4.04Å; R326-Y336 HydrophobicContact CG-CE2 3.94Å; R326-Y336 VanDerWaalsContact NH2-CE2 3.32Å; R326-Y336 PolarHBondContact NH2-OH 3.11Å; Y336-H340 AromaticContact CZ-NE2 3.63Å; Y336-H340 PolarHBondContact OH-NE2 3.23Å
337	S	86.3	Confident	87.4	Confident	0 Å²	0	52 Å²	52	0%	0	24%	0.244	C	C	.	.			trans	-98.2	136.9	-178.8	179.1	0	0	0	0	110.6	G52 L58 Y325 R335 Y339 H340	G52-S337 WeakPolarHBondContact O-CB 3.44Å; G52-S337 PolarHBondContact O-OG 2.95Å; L58-S337 WeakPolarHBondContact CD2-OG 3.41Å; Y325-S337 PolarHBondContact OH-N 2.86Å; R335-S337 PolarHBondContact O-N 3.36Å; R335-S337 VanDerWaalsContact O-N 3.1Å; S337-Y339 PolarHBondContact O-N 2.99Å; S337-Y339 PolarHBondContact OG-N 3.44Å; S337-Y339 VanDerWaalsContact OG-N 3.08Å; S337-H340 PolarHBondContact O-CD2 3.39Å; S337-H340 PolarHBondContact O-N 3.07Å
338	K	84.1	Confident	87.3	Confident	40 Å²	40	49.4 Å²	49.4	17%	0.174	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-15.2	169.3	65.1	-174.3	179.2	178.3	0	113.8	F306 V308	F306-K338 HydrophobicContact CE2-CB 4.15Å; F306-K338 HydrophobicContact CE2-CD 4.09Å; F306-K338 HydrophobicContact CE2-CG 4.06Å; F306-K338 HydrophobicContact CZ-CB 4.5Å; F306-K338 HydrophobicContact CZ-CD 3.66Å; F306-K338 HydrophobicContact CZ-CG 3.91Å; V308-K338 HydrophobicContact CG1-CB 4.5Å; V308-K338 HydrophobicContact CG2-CB 3.88Å
339	Y	87.9	Confident	87	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.008	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-4.4	-178.9	-57	-76	0	0	0	113.4	A139 F306 S337 G341 Y342 T343	A139-Y339 HydrophobicContact CB-CD1 3.57Å; A139-Y339 HydrophobicContact CB-CD2 4.36Å; A139-Y339 HydrophobicContact CB-CE1 3.56Å; A139-Y339 HydrophobicContact CB-CE2 4.36Å; A139-Y339 HydrophobicContact CB-CG 3.99Å; F306-Y339 HydrophobicContact CE1-CE1 4.09Å; F306-Y339 HydrophobicContact CZ-CD1 4.18Å; F306-Y339 AromaticContact CZ-CE1 3.62Å; F306-Y339 HydrophobicContact CZ-CE1 3.62Å; S337-Y339 PolarHBondContact O-N 2.99Å; S337-Y339 PolarHBondContact OG-N 3.44Å; S337-Y339 VanDerWaalsContact OG-N 3.08Å; Y339-G341 PolarHBondContact O-N 3.26Å; Y339-Y342 HydrophobicContact CD1-CD2 4.26Å; Y339-Y342 PolarHBondContact O-N 3.33Å; Y339-Y342 VanDerWaalsContact O-N 3.1Å; Y339-T343 PolarHBondContact O-N 3.22Å; Y339-T343 PolarHBondContact O-OG1 2.9Å
340	H	89.4	Confident	86.9	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-53.7	-48.4	-170.8	72.6	111.8	0	0	0	113.5	A61 Y321 D322 Y325 Y336 S337 T343 Y344	A61-H340 HydrophobicContact CB-CB 4.12Å; A61-H340 WeakPolarHBondContact CB-O 3.36Å; Y321-H340 AromaticContact CE1-CE1 3.55Å; Y321-H340 AromaticContact CE1-ND1 3.46Å; Y321-H340 WeakPolarHBondContact CE1-ND1 3.33Å; Y321-H340 AromaticContact CZ-ND1 3.68Å; Y321-H340 PolarHBondContact OH-ND1 3.11Å; Y321-H340 VanDerWaalsContact OH-ND1 3.16Å; Y321-H340 PolarHBondContact OH-O 3.48Å; D322-H340 IonicContact OD1-CE1 3.95Å; Y325-H340 HydrophobicContact CD1-CB 4.22Å; Y325-H340 AromaticContact CD1-CE1 3.87Å; Y325-H340 AromaticContact CD1-CG 3.84Å; Y325-H340 AromaticContact CD1-ND1 3.33Å; Y325-H340 VanDerWaalsContact CD1-ND1 3.33Å; Y325-H340 WeakPolarHBondContact CD1-ND1 3.45Å; Y325-H340 HydrophobicContact CD2-CB 4.24Å; Y325-H340 HydrophobicContact CE1-CB 3.66Å; Y325-H340 AromaticContact CE1-CG 3.59Å; Y325-H340 AromaticContact CE1-ND1 3.61Å; Y325-H340 HydrophobicContact CE2-CB 3.69Å; Y325-H340 HydrophobicContact CG-CB 4.48Å; Y325-H340 AromaticContact CG-ND1 3.62Å; Y325-H340 AromaticContact CZ-CG 3.88Å; Y336-H340 AromaticContact CZ-NE2 3.63Å; Y336-H340 PolarHBondContact OH-NE2 3.23Å; S337-H340 PolarHBondContact O-CD2 3.39Å; S337-H340 PolarHBondContact O-N 3.07Å; H340-T343 VanDerWaalsContact O-CB 3.31Å; H340-T343 WeakPolarHBondContact O-CB 3.22Å; H340-T343 PolarHBondContact O-N 3.37Å; H340-Y344 PolarHBondContact O-N 3.3Å; H340-Y344 VanDerWaalsContact O-N 3.08Å
341	G	86.2	Confident	86.9	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-87.2	-12.8	-178.9	0	0	0	0	0	114.5	Y339 T343 Y344 D345 Y386	Y339-G341 PolarHBondContact O-N 3.26Å; G341-T343 VanDerWaalsContact C-N 3.3Å; G341-Y344 PolarHBondContact O-N 2.89Å; G341-D345 VanDerWaalsContact O-CB 3.31Å; G341-D345 WeakPolarHBondContact O-CB 3.4Å; G341-D345 PolarHBondContact O-N 3.25Å; G341-Y386 VanDerWaalsContact C-CZ 3.5Å; G341-Y386 VanDerWaalsContact CA-CZ 3.41Å; G341-Y386 WeakPolarHBondContact CA-OH 3.43Å; G341-Y386 PolarHBondContact N-OH 2.74Å; G341-Y386 VanDerWaalsContact N-OH 3.13Å; G341-Y386 WeakPolarHBondContact O-CE2 3.17Å
342	Y	88.2	Confident	87	Confident	4 Å²	4	33.8 Å²	33.8	2%	0.016	15%	0.149	C	C	.	.	H	α-helix	trans	-67.4	-35	160.5	-65.1	-53.6	0	0	0	111.4	V160 V161 P162 F306 S307 Y339 Y344 G346 Y386	V160-Y342 HydrophobicContact CG1-CD1 4.14Å; V161-Y342 HydrophobicContact CG2-CD2 4.39Å; V161-Y342 HydrophobicContact CG2-CE2 4.13Å; P162-Y342 WeakPolarHBondContact CD-OH 3.28Å; F306-Y342 WeakPolarHBondContact CB-OH 3.37Å; F306-Y342 AromaticContact CD2-CE2 3.47Å; F306-Y342 HydrophobicContact CD2-CE2 3.47Å; F306-Y342 VanDerWaalsContact CD2-CE2 3.47Å; F306-Y342 AromaticContact CD2-CZ 3.91Å; F306-Y342 WeakPolarHBondContact CD2-OH 3.23Å; F306-Y342 AromaticContact CE2-CE2 3.67Å; F306-Y342 HydrophobicContact CE2-CE2 3.67Å; F306-Y342 HydrophobicContact CG-CE2 4.13Å; F306-Y342 HydrophobicContact CZ-CE2 4.47Å; S307-Y342 PolarHBondContact O-OH 3.09Å; Y339-Y342 HydrophobicContact CD1-CD2 4.26Å; Y339-Y342 PolarHBondContact O-N 3.33Å; Y339-Y342 VanDerWaalsContact O-N 3.1Å; Y342-Y344 VanDerWaalsContact C-N 3.35Å; Y342-G346 PolarHBondContact O-N 2.89Å; Y342-Y386 HydrophobicContact CD1-CD1 4.45Å; Y342-Y386 HydrophobicContact CD1-CE1 4.48Å; Y342-Y386 AromaticContact CE1-CD1 3.93Å; Y342-Y386 HydrophobicContact CE1-CD1 3.93Å; Y342-Y386 HydrophobicContact CE1-CE1 4.19Å; Y342-Y386 HydrophobicContact CE1-CG 4.43Å
343	T	91.1	Very high	86.9	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-63.3	-44.5	171.2	-53.9	0	0	0	0	110.8	F42 L58 A62 F113 Y339 H340 G341 L347	F42-T343 HydrophobicContact CE1-CG2 4.3Å; F42-T343 HydrophobicContact CZ-CG2 4.33Å; L58-T343 HydrophobicContact CB-CG2 4.4Å; A62-T343 HydrophobicContact CB-CG2 4.19Å; F113-T343 HydrophobicContact CE1-CG2 3.82Å; F113-T343 HydrophobicContact CZ-CG2 3.97Å; F113-T343 WeakPolarHBondContact CZ-O 3.15Å; Y339-T343 PolarHBondContact O-N 3.22Å; Y339-T343 PolarHBondContact O-OG1 2.9Å; H340-T343 VanDerWaalsContact O-CB 3.31Å; H340-T343 WeakPolarHBondContact O-CB 3.22Å; H340-T343 PolarHBondContact O-N 3.37Å; G341-T343 VanDerWaalsContact C-N 3.3Å; T343-L347 PolarHBondContact O-N 3.28Å
344	Y	89.9	Confident	86.9	Confident	7 Å²	7	17 Å²	17	3%	0.027	7%	0.069	C	C	.	.	H	α-helix	trans	-61.8	-52.8	177.1	-175.9	-75.8	0	0	0	111.6	L64 A65 D68 Y321 H340 G341 Y342 G346 L347 W348 F385	L64-Y344 HydrophobicContact CB-CD2 4.15Å; L64-Y344 HydrophobicContact CB-CE2 4.13Å; A65-Y344 VanDerWaalsContact CA-CE2 3.49Å; A65-Y344 HydrophobicContact CB-CD2 3.61Å; A65-Y344 HydrophobicContact CB-CE2 3.95Å; A65-Y344 HydrophobicContact CB-CG 4Å; D68-Y344 PolarHBondContact OD2-OH 2.82Å; Y321-Y344 AromaticContact CD2-CD2 3.97Å; Y321-Y344 HydrophobicContact CD2-CD2 3.97Å; Y321-Y344 HydrophobicContact CD2-CE2 4.03Å; Y321-Y344 AromaticContact CE2-CD2 3.39Å; Y321-Y344 HydrophobicContact CE2-CD2 3.39Å; Y321-Y344 AromaticContact CE2-CE2 3.92Å; Y321-Y344 HydrophobicContact CE2-CE2 3.92Å; Y321-Y344 AromaticContact CE2-CG 3.89Å; Y321-Y344 HydrophobicContact CE2-CG 3.89Å; H340-Y344 PolarHBondContact O-N 3.3Å; H340-Y344 VanDerWaalsContact O-N 3.08Å; G341-Y344 PolarHBondContact O-N 2.89Å; Y342-Y344 VanDerWaalsContact C-N 3.35Å; Y344-G346 VanDerWaalsContact C-N 3.32Å; Y344-G346 PolarHBondContact O-N 2.97Å; Y344-L347 PolarHBondContact O-N 3.44Å; Y344-W348 AromaticContact CD1-CD1 3.6Å; Y344-W348 AromaticContact CE1-CD1 3.05Å; Y344-W348 HydrophobicContact CE1-CG 4.13Å; Y344-W348 AromaticContact CE1-NE1 3.06Å; Y344-W348 AromaticContact CZ-CD1 3.62Å; Y344-W348 AromaticContact CZ-NE1 3.12Å; Y344-W348 PolarHBondContact O-N 2.73Å; Y344-W348 PolarHBondContact OH-NE1 2.95Å; Y344-F385 AromaticContact CD1-CD2 3.48Å; Y344-F385 HydrophobicContact CD1-CD2 3.48Å; Y344-F385 VanDerWaalsContact CD1-CD2 3.48Å; Y344-F385 AromaticContact CD1-CE2 3.59Å; Y344-F385 HydrophobicContact CD1-CE2 3.59Å; Y344-F385 HydrophobicContact CD1-CG 4.44Å; Y344-F385 HydrophobicContact CD1-CZ 4.48Å; Y344-F385 AromaticContact CE1-CD2 3.35Å; Y344-F385 HydrophobicContact CE1-CD2 3.35Å; Y344-F385 AromaticContact CE1-CE2 2.91Å; Y344-F385 HydrophobicContact CE1-CE2 2.91Å; Y344-F385 HydrophobicContact CE1-CG 4.5Å; Y344-F385 AromaticContact CE1-CZ 3.71Å; Y344-F385 HydrophobicContact CE1-CZ 3.71Å; Y344-F385 AromaticContact CZ-CE2 3.45Å; Y344-F385 VanDerWaalsContact CZ-CE2 3.45Å; Y344-F385 AromaticContact CZ-CZ 3.75Å
345	D	86.8	Confident	86.7	Confident	1 Å²	1	18.7 Å²	18.7	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-59.3	-41.5	179.2	-82.3	-5	0	0	0	111.9	V160 G341 L347 W348 T349 S384 F385 Y386 R396	V160-D345 HydrophobicContact CG1-CB 4.02Å; G341-D345 VanDerWaalsContact O-CB 3.31Å; G341-D345 WeakPolarHBondContact O-CB 3.4Å; G341-D345 PolarHBondContact O-N 3.25Å; D345-L347 PolarHBondContact O-N 2.71Å; D345-W348 CarbonylContact O-C 3.55Å; D345-W348 WeakPolarHBondContact O-CB 3.3Å; D345-W348 PolarHBondContact O-N 3.31Å; D345-W348 VanDerWaalsContact O-N 3.15Å; D345-T349 PolarHBondContact O-N 3.47Å; D345-T349 PolarHBondContact O-OG1 2.91Å; D345-T349 VanDerWaalsContact O-OG1 3.08Å; D345-S384 WeakPolarHBondContact OD1-CA 3.48Å; D345-S384 PolarHBondContact OD1-OG 3.1Å; D345-S384 PolarHBondContact OD2-OG 3.23Å; D345-F385 PolarHBondContact OD1-N 2.85Å; D345-F385 VanDerWaalsContact OD1-N 3.15Å; D345-Y386 WeakPolarHBondContact OD2-CD2 3.43Å; D345-R396 IonicContact OD2-CZ 3.45Å; D345-R396 IonicContact OD2-NH1 3.43Å; D345-R396 PolarHBondContact OD2-NH1 3.25Å; D345-R396 IonicContact OD2-NH2 3.71Å; D345-R396 PolarHBondContact OD2-NH2 2.88Å
346	G	89.6	Confident	86.2	Confident	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-63.6	-38.8	-177.7	0	0	0	0	0	113.6	L136 Y342 Y344 W348 T349 I350	L136-G346 VanDerWaalsContact CD2-O 3.32Å; L136-G346 WeakPolarHBondContact CD2-O 2.97Å; Y342-G346 PolarHBondContact O-N 2.89Å; Y344-G346 VanDerWaalsContact C-N 3.32Å; Y344-G346 PolarHBondContact O-N 2.97Å; G346-W348 VanDerWaalsContact C-N 3.34Å; G346-T349 WeakPolarHBondContact O-CB 3.4Å; G346-T349 PolarHBondContact O-N 2.88Å; G346-I350 WeakPolarHBondContact O-CG1 3.2Å; G346-I350 PolarHBondContact O-N 3.42Å
347	L	91.1	Very high	85.6	Confident	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-67.4	-37	173.8	-69.9	174.1	0	0	0	111.9	A62 A65 L66 I69 L83 F113 T343 Y344 D345 I350 A351	A62-L347 HydrophobicContact CB-CD1 3.91Å; A65-L347 HydrophobicContact CB-CB 3.95Å; A65-L347 HydrophobicContact CB-CD1 3.85Å; L66-L347 HydrophobicContact CD2-CD1 4.48Å; L66-L347 HydrophobicContact CG-CD1 4.42Å; I69-L347 HydrophobicContact CD1-CB 4.36Å; L83-L347 HydrophobicContact CD1-CD1 4.3Å; L83-L347 HydrophobicContact CD1-CD2 4.29Å; L83-L347 HydrophobicContact CD2-CD2 3.87Å; F113-L347 HydrophobicContact CD1-CD2 3.52Å; F113-L347 HydrophobicContact CD1-CG 4.08Å; F113-L347 HydrophobicContact CD2-CD2 4.4Å; F113-L347 HydrophobicContact CE1-CD1 4.2Å; F113-L347 HydrophobicContact CE1-CD2 3.65Å; F113-L347 HydrophobicContact CE1-CG 3.65Å; F113-L347 HydrophobicContact CG-CD2 3.9Å; F113-L347 HydrophobicContact CZ-CD2 4.16Å; F113-L347 HydrophobicContact CZ-CG 3.89Å; T343-L347 PolarHBondContact O-N 3.28Å; Y344-L347 PolarHBondContact O-N 3.44Å; D345-L347 PolarHBondContact O-N 2.71Å; L347-I350 PolarHBondContact O-N 2.66Å; L347-A351 WeakPolarHBondContact O-CB 3.34Å; L347-A351 PolarHBondContact O-N 3.31Å
348	W	89.1	Confident	85.1	Confident	19 Å²	19	12 Å²	12	7%	0.072	6%	0.059	C	C	.	.	H	α-helix	trans	-65.8	-38.6	171.8	-87	93.7	0	0	0	112.8	D68 I69 H72 V75 Y344 D345 G346 I350 A351 L352 V381	D68-W348 HydrophobicContact CB-CZ2 4.02Å; I69-W348 HydrophobicContact CB-CZ2 4.48Å; I69-W348 HydrophobicContact CD1-CD2 4.26Å; I69-W348 HydrophobicContact CD1-CG 4.28Å; I69-W348 HydrophobicContact CG1-CD2 3.67Å; I69-W348 HydrophobicContact CG1-CE3 3.98Å; I69-W348 HydrophobicContact CG1-CG 4.2Å; I69-W348 HydrophobicContact CG1-CH2 4.05Å; I69-W348 HydrophobicContact CG1-CZ2 3.74Å; I69-W348 HydrophobicContact CG1-CZ3 4.16Å; H72-W348 HydrophobicContact CB-CH2 4.04Å; H72-W348 AromaticContact CG-CH2 3.86Å; V75-W348 HydrophobicContact CG1-CZ3 4.5Å; V75-W348 HydrophobicContact CG2-CZ3 4.45Å; Y344-W348 AromaticContact CD1-CD1 3.6Å; Y344-W348 AromaticContact CE1-CD1 3.05Å; Y344-W348 HydrophobicContact CE1-CG 4.13Å; Y344-W348 AromaticContact CE1-NE1 3.06Å; Y344-W348 AromaticContact CZ-CD1 3.62Å; Y344-W348 AromaticContact CZ-NE1 3.12Å; Y344-W348 PolarHBondContact O-N 2.73Å; Y344-W348 PolarHBondContact OH-NE1 2.95Å; D345-W348 CarbonylContact O-C 3.55Å; D345-W348 WeakPolarHBondContact O-CB 3.3Å; D345-W348 PolarHBondContact O-N 3.31Å; D345-W348 VanDerWaalsContact O-N 3.15Å; G346-W348 VanDerWaalsContact C-N 3.34Å; W348-I350 VanDerWaalsContact C-N 3.35Å; W348-A351 PolarHBondContact O-N 3.36Å; W348-L352 HydrophobicContact CE3-CD1 4.49Å; W348-L352 HydrophobicContact CE3-CG 4.48Å; W348-L352 WeakPolarHBondContact O-CB 3.3Å; W348-L352 WeakPolarHBondContact O-CG 3.41Å; W348-L352 PolarHBondContact O-N 2.91Å; W348-V381 HydrophobicContact CB-CG1 4.45Å
349	T	86.5	Confident	84.6	Confident	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-59	-47.6	173.5	-61.3	0	0	0	0	110.6	L136 D345 G346 A351 L352 A353 F376 V381 F391	L136-T349 HydrophobicContact CD2-CG2 4.31Å; D345-T349 PolarHBondContact O-N 3.47Å; D345-T349 PolarHBondContact O-OG1 2.91Å; D345-T349 VanDerWaalsContact O-OG1 3.08Å; G346-T349 WeakPolarHBondContact O-CB 3.4Å; G346-T349 PolarHBondContact O-N 2.88Å; T349-A351 PolarHBondContact O-N 2.9Å; T349-L352 PolarHBondContact O-N 3.42Å; T349-A353 WeakPolarHBondContact O-CB 3.42Å; T349-A353 PolarHBondContact O-N 2.97Å; T349-F376 HydrophobicContact CG2-CD1 4.12Å; T349-F376 HydrophobicContact CG2-CE1 4.01Å; T349-V381 WeakPolarHBondContact OG1-CG2 3.49Å; T349-F391 HydrophobicContact CG2-CE2 3.64Å; T349-F391 HydrophobicContact CG2-CZ 4.01Å
350	I	87.4	Confident	83.7	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60.1	-47.4	176.4	-68.3	172.6	0	0	0	110.4	V38 A111 F113 L136 G346 L347 W348 L352 A353 F354	V38-I350 HydrophobicContact CG1-CD1 4.25Å; V38-I350 HydrophobicContact CG2-CG2 4.05Å; A111-I350 HydrophobicContact CB-CG2 4.47Å; F113-I350 HydrophobicContact CB-CD1 3.75Å; F113-I350 HydrophobicContact CD2-CD1 3.67Å; F113-I350 HydrophobicContact CG-CD1 3.97Å; L136-I350 HydrophobicContact CB-CD1 4.33Å; L136-I350 HydrophobicContact CD2-CD1 4.02Å; L136-I350 HydrophobicContact CD2-CG1 3.73Å; G346-I350 WeakPolarHBondContact O-CG1 3.2Å; G346-I350 PolarHBondContact O-N 3.42Å; L347-I350 PolarHBondContact O-N 2.66Å; W348-I350 VanDerWaalsContact C-N 3.35Å; I350-L352 PolarHBondContact O-N 3.31Å; I350-A353 PolarHBondContact O-N 3.12Å; I350-F354 HydrophobicContact CG2-CD2 3.72Å; I350-F354 HydrophobicContact CG2-CE2 3.52Å; I350-F354 WeakPolarHBondContact O-CD2 3.13Å; I350-F354 PolarHBondContact O-N 3.46Å
351	A	87.6	Confident	82.5	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.7	-41.5	-179.7	0	0	0	0	0	113.1	I69 V75 L76 L81 L347 W348 T349 F354 E355	I69-A351 HydrophobicContact CD1-CB 3.87Å; I69-A351 HydrophobicContact CG1-CB 4.21Å; I69-A351 HydrophobicContact CG2-CB 4.02Å; V75-A351 HydrophobicContact CG1-CB 4.37Å; L76-A351 HydrophobicContact CD1-CB 3.86Å; L81-A351 HydrophobicContact CD2-CB 4.45Å; L347-A351 WeakPolarHBondContact O-CB 3.34Å; L347-A351 PolarHBondContact O-N 3.31Å; W348-A351 PolarHBondContact O-N 3.36Å; T349-A351 PolarHBondContact O-N 2.9Å; A351-F354 PolarHBondContact O-N 3.34Å; A351-E355 PolarHBondContact O-N 3.02Å
352	L	84.5	Confident	81.3	Confident	30 Å²	30	27.3 Å²	27.3	16%	0.157	16%	0.157	C	C	.	.	H	α-helix	trans	-73.6	-33	178.6	-71.8	168.8	0	0	0	112.6	V75 W348 T349 I350 F354 E355 T356 V379 V381	V75-L352 HydrophobicContact CG2-CD2 3.91Å; W348-L352 HydrophobicContact CE3-CD1 4.49Å; W348-L352 HydrophobicContact CE3-CG 4.48Å; W348-L352 WeakPolarHBondContact O-CB 3.3Å; W348-L352 WeakPolarHBondContact O-CG 3.41Å; W348-L352 PolarHBondContact O-N 2.91Å; T349-L352 PolarHBondContact O-N 3.42Å; I350-L352 PolarHBondContact O-N 3.31Å; L352-F354 VanDerWaalsContact C-N 3.34Å; L352-E355 PolarHBondContact O-N 2.03Å; L352-T356 WeakPolarHBondContact O-CB 3.32Å; L352-T356 PolarHBondContact O-N 3.43Å; L352-T356 PolarHBondContact O-OG1 3.31Å; L352-V379 HydrophobicContact CB-CG1 3.73Å; L352-V381 HydrophobicContact CD1-CB 3.99Å; L352-V381 HydrophobicContact CD1-CG1 3.67Å; L352-V381 HydrophobicContact CD1-CG2 3.72Å
353	A	81.1	Confident	79.9	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.6	-45.1	170.9	0	0	0	0	0	110.6	T349 I350 T356 M357 F376 V379	T349-A353 WeakPolarHBondContact O-CB 3.42Å; T349-A353 PolarHBondContact O-N 2.97Å; I350-A353 PolarHBondContact O-N 3.12Å; A353-T356 PolarHBondContact O-N 3.11Å; A353-M357 WeakPolarHBondContact O-CB 3.44Å; A353-M357 PolarHBondContact O-N 2.89Å; A353-F376 HydrophobicContact CB-CD1 4.42Å; A353-F376 HydrophobicContact CB-CD2 4.33Å; A353-F376 HydrophobicContact CB-CE1 4.17Å; A353-F376 HydrophobicContact CB-CE2 4.08Å; A353-F376 HydrophobicContact CB-CZ 3.99Å; A353-V379 HydrophobicContact CB-CG2 4.03Å
354	F	80.6	Confident	78.5	Confident	3 Å²	3	37.7 Å²	37.7	1%	0.013	20%	0.197	C	C	.	.	H	α-helix	trans	-62.9	-44.9	173.9	-81.6	-62.9	0	0	0	113.3	L76 V110 A111 I350 A351 L352 T356 M357 L358 F364 L371	L76-F354 HydrophobicContact CD2-CB 3.92Å; V110-F354 HydrophobicContact CB-CE1 3.73Å; V110-F354 HydrophobicContact CB-CE2 4.03Å; V110-F354 HydrophobicContact CB-CZ 3.24Å; V110-F354 HydrophobicContact CG1-CE1 4.43Å; V110-F354 HydrophobicContact CG1-CZ 4.33Å; V110-F354 HydrophobicContact CG2-CD2 4.34Å; V110-F354 HydrophobicContact CG2-CE1 3.91Å; V110-F354 HydrophobicContact CG2-CE2 3.32Å; V110-F354 HydrophobicContact CG2-CZ 3.09Å; A111-F354 HydrophobicContact CB-CE2 4.44Å; I350-F354 HydrophobicContact CG2-CD2 3.72Å; I350-F354 HydrophobicContact CG2-CE2 3.52Å; I350-F354 WeakPolarHBondContact O-CD2 3.13Å; I350-F354 PolarHBondContact O-N 3.46Å; A351-F354 PolarHBondContact O-N 3.34Å; L352-F354 VanDerWaalsContact C-N 3.34Å; F354-T356 VanDerWaalsContact C-N 3.29Å; F354-T356 PolarHBondContact O-N 3.48Å; F354-M357 HydrophobicContact CD1-CE 3.81Å; F354-M357 HydrophobicContact CD1-SD 4.37Å; F354-M357 HydrophobicContact CE1-CE 4.28Å; F354-M357 PolarHBondContact O-N 2.93Å; F354-L358 WeakPolarHBondContact O-CB 3.41Å; F354-L358 VanDerWaalsContact O-CG 3.25Å; F354-L358 WeakPolarHBondContact O-CG 3.12Å; F354-L358 PolarHBondContact O-N 2.87Å; F354-F364 HydrophobicContact CE1-CE1 4.04Å; F354-F364 HydrophobicContact CE1-CZ 4.1Å; F354-L371 HydrophobicContact CD1-CD2 4.19Å; F354-L371 HydrophobicContact CE1-CD1 3.95Å; F354-L371 HydrophobicContact CE1-CD2 3.89Å; F354-L371 HydrophobicContact CE1-CG 4.29Å; F354-L371 HydrophobicContact CE2-CD1 4.24Å; F354-L371 HydrophobicContact CZ-CD1 3.53Å; F354-L371 HydrophobicContact CZ-CD2 4.25Å; F354-L371 HydrophobicContact CZ-CG 4.36Å
355	E	81.2	Confident	77.1	Confident	42 Å²	42	40.1 Å²	40.1	20%	0.196	21%	0.211	C	C	.	.	H	α-helix	trans	-57.3	-46.5	176	-175.9	62.5	-159.4	0	0	110.9	L76 A351 L352 M357 L358 T359	L76-E355 WeakPolarHBondContact CA-OE2 3.48Å; L76-E355 PolarHBondContact N-OE2 2.87Å; A351-E355 PolarHBondContact O-N 3.02Å; L352-E355 PolarHBondContact O-N 2.03Å; E355-M357 PolarHBondContact O-N 3.35Å; E355-L358 PolarHBondContact O-N 3.48Å; E355-T359 VanDerWaalsContact O-CG2 3.32Å; E355-T359 WeakPolarHBondContact O-CG2 3.49Å; E355-T359 PolarHBondContact O-N 3.17Å; E355-T359 PolarHBondContact O-OG1 3.34Å
356	T	76.1	Confident	75.9	Confident	44 Å²	44	40.7 Å²	40.7	27%	0.27	22%	0.215	S	C	.	.	H	α-helix	trans	-58.6	-48.4	178.2	-53.3	0	0	0	0	110.7	L352 A353 F354 L358 T359 H360	L352-T356 WeakPolarHBondContact O-CB 3.32Å; L352-T356 PolarHBondContact O-N 3.43Å; L352-T356 PolarHBondContact O-OG1 3.31Å; A353-T356 PolarHBondContact O-N 3.11Å; F354-T356 VanDerWaalsContact C-N 3.29Å; F354-T356 PolarHBondContact O-N 3.48Å; T356-L358 PolarHBondContact O-N 3.22Å; T356-T359 PolarHBondContact O-N 3.22Å; T356-T359 PolarHBondContact O-OG1 2.9Å; T356-H360 PolarHBondContact O-N 3.44Å; T356-H360 PolarHBondContact O-ND1 3.3Å
357	M	72.6	Confident	74.4	Confident	4 Å²	4	45.8 Å²	45.8	2%	0.02	24%	0.242	C	C	.	.	H	α-helix	trans	-61	-42.7	177.2	-175.6	-159	74.9	0	0	112.4	A353 F354 E355 T359 H360 I362 F364 L371 E375	A353-M357 WeakPolarHBondContact O-CB 3.44Å; A353-M357 PolarHBondContact O-N 2.89Å; F354-M357 HydrophobicContact CD1-CE 3.81Å; F354-M357 HydrophobicContact CD1-SD 4.37Å; F354-M357 HydrophobicContact CE1-CE 4.28Å; F354-M357 PolarHBondContact O-N 2.93Å; E355-M357 PolarHBondContact O-N 3.35Å; M357-T359 PolarHBondContact O-N 3.1Å; M357-H360 PolarHBondContact O-N 3.13Å; M357-I362 HydrophobicContact CG-CB 4.47Å; M357-F364 HydrophobicContact CE-CB 3.2Å; M357-F364 HydrophobicContact CE-CD1 3.91Å; M357-F364 HydrophobicContact CE-CD2 3.83Å; M357-F364 HydrophobicContact CE-CG 3.39Å; M357-F364 HydrophobicContact SD-CB 3.6Å; M357-F364 VanDerWaalsContact SD-CB 3.6Å; M357-F364 HydrophobicContact SD-CD1 4.33Å; M357-F364 HydrophobicContact SD-CD2 3.19Å; M357-F364 WeakPolarHBondContact SD-CD2 3.29Å; M357-F364 HydrophobicContact SD-CE2 3.84Å; M357-F364 HydrophobicContact SD-CG 3.47Å; M357-F364 WeakPolarHBondContact SD-CG 3.27Å; M357-L371 HydrophobicContact CB-CD2 4.49Å; M357-L371 HydrophobicContact SD-CD2 3.72Å; M357-E375 WeakPolarHBondContact CG-OE1 3.49Å
358	L	75.8	Confident	72.9	Confident	55 Å²	55	54.9 Å²	54.9	29%	0.288	28%	0.276	S	S	.	.	H	α-helix	trans	-62.9	-40.5	176.7	-71.7	172.2	0	0	0	111.9	L76 Y79 F354 E355 T356 H360 G361	L76-L358 HydrophobicContact CD2-CD1 3.94Å; Y79-L358 HydrophobicContact CD2-CD1 4.02Å; Y79-L358 HydrophobicContact CE2-CD1 3.84Å; Y79-L358 HydrophobicContact CE2-CD2 4.41Å; F354-L358 WeakPolarHBondContact O-CB 3.41Å; F354-L358 VanDerWaalsContact O-CG 3.25Å; F354-L358 WeakPolarHBondContact O-CG 3.12Å; F354-L358 PolarHBondContact O-N 2.87Å; E355-L358 PolarHBondContact O-N 3.48Å; T356-L358 PolarHBondContact O-N 3.22Å; L358-H360 VanDerWaalsContact C-N 3.32Å; L358-H360 PolarHBondContact O-N 3.47Å; L358-G361 PolarHBondContact O-N 3.21Å
359	T	73.8	Confident	71.6	Confident	98 Å²	98	56.7 Å²	56.7	60%	0.601	29%	0.287	S	S	*	.	H	α-helix	trans	-68.3	-27.5	179.4	58.9	0	0	0	0	113.7	E355 T356 M357 G361	E355-T359 VanDerWaalsContact O-CG2 3.32Å; E355-T359 WeakPolarHBondContact O-CG2 3.49Å; E355-T359 PolarHBondContact O-N 3.17Å; E355-T359 PolarHBondContact O-OG1 3.34Å; T356-T359 PolarHBondContact O-N 3.22Å; T356-T359 PolarHBondContact O-OG1 2.9Å; M357-T359 PolarHBondContact O-N 3.1Å; T359-G361 PolarHBondContact O-N 3.27Å
360	H	70.1	Confident	70.2	Confident	131 Å²	131	59.1 Å²	59.1	61%	0.606	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-0.8	174.8	-72.1	93.6	0	0	0	113.4	T356 M357 L358 I362	T356-H360 PolarHBondContact O-N 3.44Å; T356-H360 PolarHBondContact O-ND1 3.3Å; M357-H360 PolarHBondContact O-N 3.13Å; L358-H360 VanDerWaalsContact C-N 3.32Å; L358-H360 PolarHBondContact O-N 3.47Å; H360-I362 HydrophobicContact CB-CD1 3.95Å; H360-I362 HydrophobicContact CB-CG1 4Å; H360-I362 PolarHBondContact O-N 3.36Å
361	G	62.8	Low	68.9	Low	63 Å²	63	59.4 Å²	59.4	65%	0.649	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	14	178.7	0	0	0	0	0	113.5	L358 T359 R363	L358-G361 PolarHBondContact O-N 3.21Å; T359-G361 PolarHBondContact O-N 3.27Å; G361-R363 PolarHBondContact O-N 3.02Å
362	I	61.1	Low	67.4	Low	73 Å²	73	63.8 Å²	63.8	37%	0.374	33%	0.325	S	S	.	.			trans	-68.3	118.3	175.8	-60.4	169.5	0	0	0	106.7	M357 H360 F364 E375	M357-I362 HydrophobicContact CG-CB 4.47Å; H360-I362 HydrophobicContact CB-CD1 3.95Å; H360-I362 HydrophobicContact CB-CG1 4Å; H360-I362 PolarHBondContact O-N 3.36Å; I362-F364 PolarHBondContact O-N 3.12Å; I362-E375 VanDerWaalsContact CD1-OE1 3.3Å; I362-E375 WeakPolarHBondContact CD1-OE1 3.32Å
363	R	58.1	Low	65.9	Low	181 Å²	181	64.9 Å²	64.9	68%	0.683	34%	0.335	S	S	*	.			trans	-70	85.7	170.3	-76.2	-168.7	-171.5	159.2	15.1	108.2	W23 G361 N365	W23-R363 VanDerWaalsContact NE1-NH2 3.14Å; G361-R363 PolarHBondContact O-N 3.02Å; R363-N365 PolarHBondContact O-N 3.38Å
364	F	61.8	Low	64.7	Low	40 Å²	40	70.5 Å²	70.5	18%	0.175	37%	0.365	C	S	.	.			trans	-61.1	108.4	175.5	-178.4	-110.6	0	0	0	109.9	V110 F354 M357 I362 P366 D369 L371	V110-F364 HydrophobicContact CB-CE1 4.15Å; V110-F364 HydrophobicContact CB-CZ 4.45Å; V110-F364 HydrophobicContact CG1-CE1 4Å; F354-F364 HydrophobicContact CE1-CE1 4.04Å; F354-F364 HydrophobicContact CE1-CZ 4.1Å; M357-F364 HydrophobicContact CE-CB 3.2Å; M357-F364 HydrophobicContact CE-CD1 3.91Å; M357-F364 HydrophobicContact CE-CD2 3.83Å; M357-F364 HydrophobicContact CE-CG 3.39Å; M357-F364 HydrophobicContact SD-CB 3.6Å; M357-F364 VanDerWaalsContact SD-CB 3.6Å; M357-F364 HydrophobicContact SD-CD1 4.33Å; M357-F364 HydrophobicContact SD-CD2 3.19Å; M357-F364 WeakPolarHBondContact SD-CD2 3.29Å; M357-F364 HydrophobicContact SD-CE2 3.84Å; M357-F364 HydrophobicContact SD-CG 3.47Å; M357-F364 WeakPolarHBondContact SD-CG 3.27Å; I362-F364 PolarHBondContact O-N 3.12Å; F364-P366 HydrophobicContact CD1-CB 4.22Å; F364-P366 HydrophobicContact CE1-CB 3.66Å; F364-P366 HydrophobicContact CZ-CB 4.3Å; F364-P366 VanDerWaalsContact O-CD 3.23Å; F364-P366 WeakPolarHBondContact O-CD 3.37Å; F364-D369 WeakPolarHBondContact CA-OD2 3.49Å; F364-D369 HydrophobicContact CD2-CB 3.79Å; F364-D369 HydrophobicContact CE2-CB 4.15Å; F364-D369 WeakPolarHBondContact CE2-O 3.42Å; F364-L371 HydrophobicContact CE2-CG 4.31Å
365	N	62.2	Low	63.5	Low	59 Å²	59	71.4 Å²	71.4	32%	0.316	37%	0.369	S	S	.	.			trans	-85.9	104.5	162.1	-175.2	-7.1	0	0	0	107.2	R363 D367 R368 D369	R363-N365 PolarHBondContact O-N 3.38Å; N365-D367 PolarHBondContact O-N 3.28Å; N365-D367 WeakPolarHBondContact OD1-CB 3.44Å; N365-D367 PolarHBondContact OD1-N 3.42Å; N365-R368 HydrophobicContact CB-CB 4.31Å; N365-R368 PolarHBondContact O-N 3.34Å; N365-D369 PolarHBondContact N-OD2 3.49Å; N365-D369 PolarHBondContact O-N 2.92Å
366	P	60.2	Low	62.3	Low	13 Å²	13	69.4 Å²	69.4	8%	0.084	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-22.3	178.9	20.1	-30.5	0	0	0	112.5	Q108 K133 F364	Q108-P366 HydrophobicContact CB-CB 4.11Å; Q108-P366 HydrophobicContact CB-CG 3.86Å; Q108-P366 HydrophobicContact CG-CG 3.95Å; K133-P366 PolarHBondContact NZ-O 3.21Å; F364-P366 HydrophobicContact CD1-CB 4.22Å; F364-P366 HydrophobicContact CE1-CB 3.66Å; F364-P366 HydrophobicContact CZ-CB 4.3Å; F364-P366 VanDerWaalsContact O-CD 3.23Å; F364-P366 WeakPolarHBondContact O-CD 3.37Å
367	D	59.5	Low	61.3	Low	106 Å²	106	71 Å²	71	57%	0.567	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-13.9	-179.5	-57.9	-34.3	0	0	0	114	N365	N365-D367 PolarHBondContact O-N 3.28Å; N365-D367 WeakPolarHBondContact OD1-CB 3.44Å; N365-D367 PolarHBondContact OD1-N 3.42Å
368	R	59.6	Low	60.3	Low	192 Å²	192	73.3 Å²	73.3	73%	0.725	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.6	-30.7	-172.4	-69	-170.3	178.3	-173.2	-1.5	115	N365	N365-R368 HydrophobicContact CB-CB 4.31Å; N365-R368 PolarHBondContact O-N 3.34Å
369	D	59.9	Low	59.4	Low	56 Å²	56	71 Å²	71	30%	0.299	38%	0.377	S	S	.	.			trans	-90.9	117.2	-173.1	-59.8	-22.8	0	0	0	108.2	F364 N365	F364-D369 WeakPolarHBondContact CA-OD2 3.49Å; F364-D369 HydrophobicContact CD2-CB 3.79Å; F364-D369 HydrophobicContact CE2-CB 4.15Å; F364-D369 WeakPolarHBondContact CE2-O 3.42Å; N365-D369 PolarHBondContact N-OD2 3.49Å; N365-D369 PolarHBondContact O-N 2.92Å
370	L	59.1	Low	58.3	Low	51 Å²	51	69.6 Å²	69.6	27%	0.267	37%	0.369	S	S	.	.			trans	-67	137.6	163.3	-150.5	87.5	0	0	0	106.4	H132 T156 N372	H132-L370 HydrophobicContact CB-CD1 3.71Å; T156-L370 HydrophobicContact CG2-CD1 4.16Å; T156-L370 HydrophobicContact CG2-CD2 4.25Å; L370-N372 VanDerWaalsContact C-N 3.34Å; L370-N372 PolarHBondContact O-N 3.47Å
371	L	59.7	Low	57.6	Low	6 Å²	6	63.4 Å²	63.4	3%	0.031	34%	0.34	C	S	.	.			trans	-55.8	109.3	155.4	-74.8	148.8	0	0	0	105.3	A111 V134 F354 M357 F364 S373 F376	A111-L371 HydrophobicContact CB-CD1 4.46Å; V134-L371 HydrophobicContact CG2-CB 4.07Å; F354-L371 HydrophobicContact CD1-CD2 4.19Å; F354-L371 HydrophobicContact CE1-CD1 3.95Å; F354-L371 HydrophobicContact CE1-CD2 3.89Å; F354-L371 HydrophobicContact CE1-CG 4.29Å; F354-L371 HydrophobicContact CE2-CD1 4.24Å; F354-L371 HydrophobicContact CZ-CD1 3.53Å; F354-L371 HydrophobicContact CZ-CD2 4.25Å; F354-L371 HydrophobicContact CZ-CG 4.36Å; M357-L371 HydrophobicContact CB-CD2 4.49Å; M357-L371 HydrophobicContact SD-CD2 3.72Å; F364-L371 HydrophobicContact CE2-CG 4.31Å; L371-S373 PolarHBondContact O-N 2.91Å; L371-F376 HydrophobicContact CB-CD2 4Å; L371-F376 HydrophobicContact CB-CE2 3.76Å; L371-F376 HydrophobicContact CD1-CE2 3.75Å; L371-F376 HydrophobicContact CD1-CZ 4.42Å; L371-F376 HydrophobicContact CD2-CE2 4.47Å; L371-F376 HydrophobicContact CG-CE2 4.18Å
372	N	55.6	Low	56.9	Low	92 Å²	92	66.3 Å²	66.3	49%	0.492	34%	0.34	S	S	.	.			trans	-60.2	142.7	-172.8	-91	-18	0	0	0	108	L370 D374 E375 F376	L370-N372 VanDerWaalsContact C-N 3.34Å; L370-N372 PolarHBondContact O-N 3.47Å; N372-D374 PolarHBondContact O-N 3.32Å; N372-D374 VanDerWaalsContact O-N 3.07Å; N372-E375 HydrophobicContact CB-CG 4.19Å; N372-E375 PolarHBondContact N-OE2 2.95Å; N372-E375 WeakPolarHBondContact O-CA 3.33Å; N372-E375 WeakPolarHBondContact O-CB 3.43Å; N372-E375 PolarHBondContact O-N 2.97Å; N372-F376 PolarHBondContact O-N 3.4Å
373	S	53.5	Low	56.4	Low	54 Å²	54	70 Å²	70	38%	0.378	35%	0.354	S	S	.	.	H	α-helix	trans	-48.8	-38.8	177.2	48.4	0	0	0	0	111.6	L371 E375 F376 E377	L371-S373 PolarHBondContact O-N 2.91Å; S373-E375 PolarHBondContact O-N 3.39Å; S373-F376 PolarHBondContact O-N 2.91Å; S373-E377 WeakPolarHBondContact O-CB 3.03Å; S373-E377 WeakPolarHBondContact O-CG 3.4Å; S373-E377 PolarHBondContact O-N 3.49Å
374	D	54.7	Low	56.2	Low	118 Å²	118	61.9 Å²	61.9	63%	0.631	33%	0.325	S	S	*	.	H	α-helix	trans	-61.4	-30.3	178.4	-60.5	-5.7	0	0	0	112.9	N372 G378	N372-D374 PolarHBondContact O-N 3.32Å; N372-D374 VanDerWaalsContact O-N 3.07Å; D374-G378 WeakPolarHBondContact O-CA 3.3Å; D374-G378 PolarHBondContact O-N 3.38Å
375	E	55.7	Low	56	Low	21 Å²	21	61.3 Å²	61.3	10%	0.098	32%	0.322	C	S	.	.	H	α-helix	trans	-74.6	-39.4	177.9	-62	179.4	149.2	0	0	111	M357 I362 N372 S373 V379	M357-E375 WeakPolarHBondContact CG-OE1 3.49Å; I362-E375 VanDerWaalsContact CD1-OE1 3.3Å; I362-E375 WeakPolarHBondContact CD1-OE1 3.32Å; N372-E375 HydrophobicContact CB-CG 4.19Å; N372-E375 PolarHBondContact N-OE2 2.95Å; N372-E375 WeakPolarHBondContact O-CA 3.33Å; N372-E375 WeakPolarHBondContact O-CB 3.43Å; N372-E375 PolarHBondContact O-N 2.97Å; S373-E375 PolarHBondContact O-N 3.39Å; E375-V379 WeakPolarHBondContact O-CG2 3.45Å; E375-V379 PolarHBondContact O-N 3.3Å
376	F	57.4	Low	55.6	Low	1 Å²	1	59.2 Å²	59.2	0%	0.004	31%	0.31	C	S	.	.	H	α-helix	trans	-73.6	-37.6	173.9	-94.7	-86.3	0	0	0	112.7	V134 Y158 T349 A353 L371 N372 S373 V379	V134-F376 HydrophobicContact CB-CE2 4.09Å; V134-F376 HydrophobicContact CB-CZ 4.5Å; V134-F376 HydrophobicContact CG1-CD2 4.25Å; V134-F376 HydrophobicContact CG1-CE1 4.49Å; V134-F376 HydrophobicContact CG1-CE2 3.8Å; V134-F376 HydrophobicContact CG1-CZ 3.94Å; V134-F376 HydrophobicContact CG2-CD2 4.38Å; V134-F376 HydrophobicContact CG2-CE2 4.11Å; Y158-F376 HydrophobicContact CD1-CB 4.45Å; Y158-F376 HydrophobicContact CE1-CB 4Å; T349-F376 HydrophobicContact CG2-CD1 4.12Å; T349-F376 HydrophobicContact CG2-CE1 4.01Å; A353-F376 HydrophobicContact CB-CD1 4.42Å; A353-F376 HydrophobicContact CB-CD2 4.33Å; A353-F376 HydrophobicContact CB-CE1 4.17Å; A353-F376 HydrophobicContact CB-CE2 4.08Å; A353-F376 HydrophobicContact CB-CZ 3.99Å; L371-F376 HydrophobicContact CB-CD2 4Å; L371-F376 HydrophobicContact CB-CE2 3.76Å; L371-F376 HydrophobicContact CD1-CE2 3.75Å; L371-F376 HydrophobicContact CD1-CZ 4.42Å; L371-F376 HydrophobicContact CD2-CE2 4.47Å; L371-F376 HydrophobicContact CG-CE2 4.18Å; N372-F376 PolarHBondContact O-N 3.4Å; S373-F376 PolarHBondContact O-N 2.91Å; F376-V379 PolarHBondContact O-N 2.98Å
377	E	55	Low	55.5	Low	77 Å²	77	59.5 Å²	59.5	36%	0.36	32%	0.315	S	S	.	.	H	α-helix	trans	-72.3	-30.5	177.6	-70	-164.6	160.5	0	0	112.8	S373	S373-E377 WeakPolarHBondContact O-CB 3.03Å; S373-E377 WeakPolarHBondContact O-CG 3.4Å; S373-E377 PolarHBondContact O-N 3.49Å
378	G	50.7	Low	55.8	Low	53 Å²	53	61.3 Å²	61.3	55%	0.546	32%	0.318	S	S	.	.	H	α-helix	trans	-76.8	-19.5	175.5	0	0	0	0	0	114.7	D374 T380	D374-G378 WeakPolarHBondContact O-CA 3.3Å; D374-G378 PolarHBondContact O-N 3.38Å; G378-T380 PolarHBondContact O-N 2.88Å
379	V	56.2	Low	56.2	Low	6 Å²	6	52.1 Å²	52.1	4%	0.036	28%	0.283	C	S	.	.			trans	-75	99.1	-177.9	171.8	0	0	0	0	110.4	L352 A353 E375 F376 V381	L352-V379 HydrophobicContact CB-CG1 3.73Å; A353-V379 HydrophobicContact CB-CG2 4.03Å; E375-V379 WeakPolarHBondContact O-CG2 3.45Å; E375-V379 PolarHBondContact O-N 3.3Å; F376-V379 PolarHBondContact O-N 2.98Å; V379-V381 HydrophobicContact CG1-CG2 3.9Å; V379-V381 PolarHBondContact O-N 2.79Å
380	T	51.1	Low	56.9	Low	69 Å²	69	56.4 Å²	56.4	42%	0.423	30%	0.295	S	S	.	.			trans	-86.3	103.7	163.7	-56	0	0	0	0	109	G378 L382 K388 V389	G378-T380 PolarHBondContact O-N 2.88Å; T380-L382 VanDerWaalsContact C-N 3.31Å; T380-L382 HydrophobicContact CG2-CD2 3.95Å; T380-L382 HydrophobicContact CG2-CG 4.16Å; T380-L382 PolarHBondContact O-N 3.16Å; T380-K388 HydrophobicContact CG2-CB 4.44Å; T380-V389 WeakPolarHBondContact CA-O 3.49Å
381	V	54.9	Low	57.9	Low	1 Å²	1	54.2 Å²	54.2	1%	0.006	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-71.8	91.6	169.7	-172.3	0	0	0	0	108.1	W348 T349 L352 V379 F383 S384 V389	W348-V381 HydrophobicContact CB-CG1 4.45Å; T349-V381 WeakPolarHBondContact OG1-CG2 3.49Å; L352-V381 HydrophobicContact CD1-CB 3.99Å; L352-V381 HydrophobicContact CD1-CG1 3.67Å; L352-V381 HydrophobicContact CD1-CG2 3.72Å; V379-V381 HydrophobicContact CG1-CG2 3.9Å; V379-V381 PolarHBondContact O-N 2.79Å; V381-F383 PolarHBondContact O-N 2.79Å; V381-S384 PolarHBondContact O-N 2.85Å; V381-V389 HydrophobicContact CB-CB 3.88Å; V381-V389 HydrophobicContact CB-CG2 3.86Å; V381-V389 HydrophobicContact CG2-CB 4.02Å; V381-V389 HydrophobicContact CG2-CG1 4.42Å; V381-V389 HydrophobicContact CG2-CG2 4.19Å
382	L	48.3	Very low	58.8	Low	124 Å²	124	57.6 Å²	57.6	65%	0.649	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-23.7	179.3	-73.2	168.4	0	0	0	112.5	T380	T380-L382 VanDerWaalsContact C-N 3.31Å; T380-L382 HydrophobicContact CG2-CD2 3.95Å; T380-L382 HydrophobicContact CG2-CG 4.16Å; T380-L382 PolarHBondContact O-N 3.16Å
383	F	51.6	Low	59.9	Low	150 Å²	150	58.5 Å²	58.5	66%	0.658	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	14.3	-178.9	-60.3	-72.8	0	0	0	114	V381 F385	V381-F383 PolarHBondContact O-N 2.79Å; F383-F385 PolarHBondContact O-N 2.91Å
384	S	53.1	Low	61.2	Low	11 Å²	11	56.7 Å²	56.7	8%	0.077	29%	0.29	C	S	.	.			trans	-66.8	135.4	178.3	157.5	0	0	0	0	110.5	D345 V381 Y386 G387 V389 R396	D345-S384 WeakPolarHBondContact OD1-CA 3.48Å; D345-S384 PolarHBondContact OD1-OG 3.1Å; D345-S384 PolarHBondContact OD2-OG 3.23Å; V381-S384 PolarHBondContact O-N 2.85Å; S384-Y386 PolarHBondContact O-N 2.93Å; S384-Y386 PolarHBondContact OG-N 3.36Å; S384-G387 WeakPolarHBondContact CB-O 3.22Å; S384-G387 PolarHBondContact O-N 2.93Å; S384-G387 PolarHBondContact OG-O 3.26Å; S384-V389 VanDerWaalsContact CB-CG2 3.43Å; S384-V389 WeakPolarHBondContact OG-CG2 3.26Å; S384-R396 PolarHBondContact OG-NH2 3.38Å
385	F	57.1	Low	62.5	Low	27 Å²	27	51.6 Å²	51.6	12%	0.118	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-8.1	-175.7	-69.6	-98.7	0	0	0	112.6	R310 A318 Y321 Y344 D345 F383	R310-F385 VanDerWaalsContact CB-O 3.31Å; R310-F385 WeakPolarHBondContact CB-O 3.38Å; A318-F385 HydrophobicContact CB-CD1 4.42Å; Y321-F385 VanDerWaalsContact CB-CE1 3.4Å; Y321-F385 HydrophobicContact CD1-CD1 4.02Å; Y321-F385 HydrophobicContact CD1-CE1 4.49Å; Y321-F385 HydrophobicContact CD2-CE1 4.48Å; Y321-F385 AromaticContact CG-CD1 3.89Å; Y321-F385 HydrophobicContact CG-CD1 3.89Å; Y321-F385 AromaticContact CG-CE1 3.89Å; Y321-F385 HydrophobicContact CG-CE1 3.89Å; Y344-F385 AromaticContact CD1-CD2 3.48Å; Y344-F385 HydrophobicContact CD1-CD2 3.48Å; Y344-F385 VanDerWaalsContact CD1-CD2 3.48Å; Y344-F385 AromaticContact CD1-CE2 3.59Å; Y344-F385 HydrophobicContact CD1-CE2 3.59Å; Y344-F385 HydrophobicContact CD1-CG 4.44Å; Y344-F385 HydrophobicContact CD1-CZ 4.48Å; Y344-F385 AromaticContact CE1-CD2 3.35Å; Y344-F385 HydrophobicContact CE1-CD2 3.35Å; Y344-F385 AromaticContact CE1-CE2 2.91Å; Y344-F385 HydrophobicContact CE1-CE2 2.91Å; Y344-F385 HydrophobicContact CE1-CG 4.5Å; Y344-F385 AromaticContact CE1-CZ 3.71Å; Y344-F385 HydrophobicContact CE1-CZ 3.71Å; Y344-F385 AromaticContact CZ-CE2 3.45Å; Y344-F385 VanDerWaalsContact CZ-CE2 3.45Å; Y344-F385 AromaticContact CZ-CZ 3.75Å; D345-F385 PolarHBondContact OD1-N 2.85Å; D345-F385 VanDerWaalsContact OD1-N 3.15Å; F383-F385 PolarHBondContact O-N 2.91Å
386	Y	54	Low	63.9	Low	16 Å²	16	50.8 Å²	50.8	6%	0.063	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	1.2	-169.8	-68.4	-102.2	0	0	0	112.9	S307 V308 G341 Y342 D345 S384 R396	S307-Y386 WeakPolarHBondContact O-CD1 3.16Å; V308-Y386 WeakPolarHBondContact O-CE1 3.3Å; V308-Y386 PolarHBondContact O-OH 2.87Å; G341-Y386 VanDerWaalsContact C-CZ 3.5Å; G341-Y386 VanDerWaalsContact CA-CZ 3.41Å; G341-Y386 WeakPolarHBondContact CA-OH 3.43Å; G341-Y386 PolarHBondContact N-OH 2.74Å; G341-Y386 VanDerWaalsContact N-OH 3.13Å; G341-Y386 WeakPolarHBondContact O-CE2 3.17Å; Y342-Y386 HydrophobicContact CD1-CD1 4.45Å; Y342-Y386 HydrophobicContact CD1-CE1 4.48Å; Y342-Y386 AromaticContact CE1-CD1 3.93Å; Y342-Y386 HydrophobicContact CE1-CD1 3.93Å; Y342-Y386 HydrophobicContact CE1-CE1 4.19Å; Y342-Y386 HydrophobicContact CE1-CG 4.43Å; D345-Y386 WeakPolarHBondContact OD2-CD2 3.43Å; S384-Y386 PolarHBondContact O-N 2.93Å; S384-Y386 PolarHBondContact OG-N 3.36Å; Y386-R396 VanDerWaalsContact CB-NH2 3.31Å
387	G	59.3	Low	65.1	Low	18 Å²	18	51.4 Å²	51.4	19%	0.186	26%	0.262	C	S	.	.	S	Bend	trans	107.4	176	-173.1	0	0	0	0	0	112	S384 V389 R396	S384-G387 WeakPolarHBondContact CB-O 3.22Å; S384-G387 PolarHBondContact O-N 2.93Å; S384-G387 PolarHBondContact OG-O 3.26Å; G387-V389 PolarHBondContact O-N 3.48Å; G387-R396 PolarHBondContact O-NH2 3.38Å
388	K	65	Low	66.4	Low	144 Å²	144	48 Å²	48	63%	0.626	25%	0.247	S	C	*	.			trans	-56.7	117.2	-176.5	-66.4	176.6	-177.5	171.2	0	109.5	T380 R390	T380-K388 HydrophobicContact CG2-CB 4.44Å; K388-R390 PolarHBondContact O-N 3.29Å
389	V	68	Low	68.1	Low	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-74.6	116	170.3	179.1	0	0	0	0	106.5	T380 V381 S384 G387 F391 R396	T380-V389 WeakPolarHBondContact CA-O 3.49Å; V381-V389 HydrophobicContact CB-CB 3.88Å; V381-V389 HydrophobicContact CB-CG2 3.86Å; V381-V389 HydrophobicContact CG2-CB 4.02Å; V381-V389 HydrophobicContact CG2-CG1 4.42Å; V381-V389 HydrophobicContact CG2-CG2 4.19Å; S384-V389 VanDerWaalsContact CB-CG2 3.43Å; S384-V389 WeakPolarHBondContact OG-CG2 3.26Å; G387-V389 PolarHBondContact O-N 3.48Å; V389-F391 HydrophobicContact CG1-CD2 4Å; V389-F391 HydrophobicContact CG1-CE2 3.36Å; V389-F391 HydrophobicContact CG1-CZ 3.9Å; V389-R396 HydrophobicContact CG1-CG 4.37Å; V389-R396 VanDerWaalsContact CG2-NH2 3.32Å
390	R	75.7	Confident	69.7	Low	145 Å²	145	46.6 Å²	46.6	55%	0.547	23%	0.228	S	C	.	.			trans	-128.4	128.8	170.2	-178	175.9	179.4	169.4	2	107.9	K388 R396 L397	K388-R390 PolarHBondContact O-N 3.29Å; R390-R396 WeakPolarHBondContact O-CA 3.46Å; R390-L397 PolarHBondContact O-N 3.03Å
391	F	79.5	Confident	71.6	Confident	6 Å²	6	44.1 Å²	44.1	3%	0.026	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	143.2	171.9	-67.7	-87.7	0	0	0	110.1	L136 Y158 R159 T349 V389 E395 R396	L136-F391 HydrophobicContact CD1-CE1 4.32Å; L136-F391 HydrophobicContact CD1-CZ 4.21Å; Y158-F391 HydrophobicContact CD1-CD1 4.06Å; Y158-F391 HydrophobicContact CD1-CE1 4.46Å; R159-F391 VanDerWaalsContact O-CE1 3.31Å; R159-F391 WeakPolarHBondContact O-CE1 3.5Å; T349-F391 HydrophobicContact CG2-CE2 3.64Å; T349-F391 HydrophobicContact CG2-CZ 4.01Å; V389-F391 HydrophobicContact CG1-CD2 4Å; V389-F391 HydrophobicContact CG1-CE2 3.36Å; V389-F391 HydrophobicContact CG1-CZ 3.9Å; F391-E395 CarbonylContact C-O 3.58Å; F391-E395 VanDerWaalsContact CA-O 3.25Å; F391-E395 WeakPolarHBondContact CA-O 2.99Å; F391-R396 HydrophobicContact CE1-CB 4.28Å
392	Q	77.9	Confident	73.4	Confident	77 Å²	77	44.1 Å²	44.1	36%	0.36	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	125.6	168.6	179.1	175.4	11.4	0	0	106.6	N394 E395 L397	Q392-N394 VanDerWaalsContact C-N 3.28Å; Q392-N394 PolarHBondContact O-N 3.02Å; Q392-E395 PolarHBondContact N-O 3.27Å; Q392-E395 PolarHBondContact O-N 3.04Å; Q392-L397 HydrophobicContact CB-CD1 4.07Å; Q392-L397 HydrophobicContact CB-CD2 4.29Å; Q392-L397 HydrophobicContact CB-CG 4.08Å
393	D	78.3	Confident	75.5	Confident	110 Å²	110	38.4 Å²	38.4	59%	0.588	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	43.9	179.6	-51.9	-46.1	0	0	0	112.5	E395	D393-E395 WeakPolarHBondContact O-CG 2.98Å; D393-E395 PolarHBondContact O-N 2.74Å
394	N	81.3	Confident	77.5	Confident	17 Å²	17	31.3 Å²	31.3	9%	0.091	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	7.8	-175.1	-53.6	-16.3	0	0	0	116.6	G155 F157 Y158 R159 Q392	G155-N394 PolarHBondContact O-ND2 3.36Å; F157-N394 VanDerWaalsContact O-CB 3.31Å; F157-N394 WeakPolarHBondContact O-CB 3.49Å; Y158-N394 WeakPolarHBondContact CA-O 3.39Å; Y158-N394 HydrophobicContact CD1-CB 3.83Å; Y158-N394 HydrophobicContact CE1-CB 3.89Å; Y158-N394 WeakPolarHBondContact CE1-OD1 3.39Å; Y158-N394 HydrophobicContact CG-CB 4.16Å; Y158-N394 PolarHBondContact OH-OD1 2.49Å; Y158-N394 VanDerWaalsContact OH-OD1 3.06Å; R159-N394 PolarHBondContact N-O 2.95Å; Q392-N394 VanDerWaalsContact C-N 3.28Å; Q392-N394 PolarHBondContact O-N 3.02Å
395	E	83.1	Confident	79.3	Confident	10 Å²	10	30.8 Å²	30.8	5%	0.047	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	142.2	-177.5	-45.4	-168.5	125.2	0	0	112.9	S146 R159 S163 H165 F391 Q392 D393 L397	S146-E395 WeakPolarHBondContact CB-OE1 3.46Å; S146-E395 PolarHBondContact OG-OE1 3.19Å; R159-E395 IonicContact CZ-OE1 3.57Å; R159-E395 IonicContact NE-OE1 3.05Å; R159-E395 IonicContact NH2-OE1 3.74Å; R159-E395 PolarHBondContact NH2-OE1 2.72Å; S163-E395 WeakPolarHBondContact CB-OE1 3.04Å; S163-E395 WeakPolarHBondContact CB-OE2 3.46Å; S163-E395 VanDerWaalsContact OG-CD 3.31Å; S163-E395 PolarHBondContact OG-OE2 2.96Å; H165-E395 IonicContact CE1-OE2 3.61Å; H165-E395 IonicContact CG-OE2 3.97Å; H165-E395 IonicContact ND1-OE1 2.61Å; H165-E395 IonicContact ND1-OE2 3.54Å; H165-E395 PolarHBondContact ND1-OE2 3.48Å; F391-E395 CarbonylContact C-O 3.58Å; F391-E395 VanDerWaalsContact CA-O 3.25Å; F391-E395 WeakPolarHBondContact CA-O 2.99Å; Q392-E395 PolarHBondContact N-O 3.27Å; Q392-E395 PolarHBondContact O-N 3.04Å; D393-E395 WeakPolarHBondContact O-CG 2.98Å; D393-E395 PolarHBondContact O-N 2.74Å; E395-L397 PolarHBondContact O-N 3.14Å
396	R	84.2	Confident	80.8	Confident	4 Å²	4	30.4 Å²	30.4	2%	0.015	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	124.5	168.9	-173	-173.5	-178.8	163.7	5.3	111.1	R159 V160 D345 S384 Y386 G387 V389 R390 F391 G398	R159-R396 WeakPolarHBondContact O-CB 3.42Å; R159-R396 PolarHBondContact O-N 2.74Å; V160-R396 WeakPolarHBondContact O-CD 3.2Å; D345-R396 IonicContact OD2-CZ 3.45Å; D345-R396 IonicContact OD2-NH1 3.43Å; D345-R396 PolarHBondContact OD2-NH1 3.25Å; D345-R396 IonicContact OD2-NH2 3.71Å; D345-R396 PolarHBondContact OD2-NH2 2.88Å; S384-R396 PolarHBondContact OG-NH2 3.38Å; Y386-R396 VanDerWaalsContact CB-NH2 3.31Å; G387-R396 PolarHBondContact O-NH2 3.38Å; V389-R396 HydrophobicContact CG1-CG 4.37Å; V389-R396 VanDerWaalsContact CG2-NH2 3.32Å; R390-R396 WeakPolarHBondContact O-CA 3.46Å; F391-R396 HydrophobicContact CE1-CB 4.28Å; R396-G398 PolarHBondContact O-N 2.79Å
397	L	83	Confident	82	Confident	15 Å²	15	31.9 Å²	31.9	8%	0.079	16%	0.159	C	C	.	.			trans	-75.1	100	162	-60.6	178.8	0	0	0	108.6	R390 Q392 E395 A420 A421	R390-L397 PolarHBondContact O-N 3.03Å; Q392-L397 HydrophobicContact CB-CD1 4.07Å; Q392-L397 HydrophobicContact CB-CD2 4.29Å; Q392-L397 HydrophobicContact CB-CG 4.08Å; E395-L397 PolarHBondContact O-N 3.14Å; L397-A420 HydrophobicContact CB-CB 4.36Å; L397-A420 HydrophobicContact CD2-CB 4.49Å; L397-A421 HydrophobicContact CB-CB 4.03Å; L397-A421 HydrophobicContact CD1-CB 4.38Å
398	G	81.5	Confident	83	Confident	5 Å²	5	39.2 Å²	39.2	5%	0.052	19%	0.185	C	C	.	.			trans	-115.8	179	-177.6	0	0	0	0	0	114.2	R396 A420	R396-G398 PolarHBondContact O-N 2.79Å; G398-A420 VanDerWaalsContact O-CB 3.22Å; G398-A420 WeakPolarHBondContact O-CB 3.31Å; G398-A420 PolarHBondContact O-N 3.49Å
399	T	86.8	Confident	83.7	Confident	28 Å²	28	38.8 Å²	38.8	17%	0.172	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	130.6	179.5	-47.7	0	0	0	0	111.1	S307 Q417 F418	S307-T399 PolarHBondContact N-O 3.34Å; S307-T399 VanDerWaalsContact N-O 3.09Å; T399-Q417 HydrophobicContact CG2-CB 4.01Å; T399-F418 CarbonylContact C-O 3.56Å; T399-F418 VanDerWaalsContact CA-O 3.29Å; T399-F418 WeakPolarHBondContact CA-O 3.32Å; T399-F418 WeakPolarHBondContact CG2-O 3.48Å
400	I	90.7	Very high	84.4	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	128	172.9	-55.5	-57.5	0	0	0	108.9	P162 Q167 A170 L304 Q305 Q417 F418	P162-I400 HydrophobicContact CB-CD1 4.17Å; Q167-I400 HydrophobicContact CG-CD1 4.13Å; A170-I400 HydrophobicContact CB-CB 3.84Å; A170-I400 HydrophobicContact CB-CG1 4.09Å; A170-I400 HydrophobicContact CB-CG2 3.79Å; L304-I400 HydrophobicContact CB-CG2 4.05Å; L304-I400 HydrophobicContact CD2-CG2 4.1Å; L304-I400 HydrophobicContact CG-CG2 4.27Å; Q305-I400 CarbonylContact O-C 3.58Å; Q305-I400 WeakPolarHBondContact O-CA 3.28Å; Q305-I400 WeakPolarHBondContact O-CG2 3.41Å; I400-Q417 CarbonylContact O-C 3.56Å; I400-Q417 WeakPolarHBondContact O-CA 3.4Å; I400-F418 HydrophobicContact CB-CB 4.42Å; I400-F418 PolarHBondContact N-O 3.16Å; I400-F418 PolarHBondContact O-N 2.98Å
401	E	91	Very high	84.9	Confident	17 Å²	17	36.4 Å²	36.4	8%	0.079	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	139.8	174.2	-56.9	-168.1	146.5	0	0	110.8	L304 Q305 S307 T414 Q417	L304-E401 WeakPolarHBondContact CA-O 3.5Å; Q305-E401 HydrophobicContact CG-CB 4.14Å; Q305-E401 PolarHBondContact N-O 3.03Å; Q305-E401 PolarHBondContact NE2-OE2 3.47Å; Q305-E401 PolarHBondContact O-N 2.97Å; S307-E401 PolarHBondContact OG-OE1 3.47Å; E401-T414 HydrophobicContact CB-CG2 4.28Å; E401-Q417 HydrophobicContact CG-CG 4.26Å; E401-Q417 PolarHBondContact OE1-NE2 2.71Å; E401-Q417 VanDerWaalsContact OE1-NE2 3.08Å
402	I	93.1	Very high	85.3	Confident	1 Å²	1	39 Å²	39	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	115.8	172.3	-51.2	-177.4	0	0	0	106.6	F174 F302 L304 V415 G416 L425	F174-I402 HydrophobicContact CB-CD1 4.17Å; F174-I402 HydrophobicContact CD2-CD1 3.51Å; F174-I402 HydrophobicContact CD2-CG2 4.32Å; F174-I402 HydrophobicContact CE2-CD1 4.19Å; F174-I402 HydrophobicContact CE2-CG2 4.04Å; F174-I402 HydrophobicContact CG-CD1 4.08Å; F174-I402 HydrophobicContact CZ-CG2 4.46Å; F302-I402 HydrophobicContact CD1-CG2 4.07Å; L304-I402 HydrophobicContact CD1-CG2 4.5Å; L304-I402 HydrophobicContact CG-CG1 4.28Å; I402-V415 HydrophobicContact CB-CG2 4.33Å; I402-V415 HydrophobicContact CG2-CG2 3.97Å; I402-V415 WeakPolarHBondContact O-CG2 3.43Å; I402-V415 PolarHBondContact O-N 3.47Å; I402-G416 PolarHBondContact N-O 2.91Å; I402-G416 PolarHBondContact O-N 2.96Å; I402-L425 HydrophobicContact CD1-CD1 3.63Å
403	I	91.8	Very high	85.9	Confident	4 Å²	4	37.2 Å²	37.2	2%	0.021	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	144	-180	66.3	-178.3	0	0	0	109.6	F302 A303 Q305 Y412 V413	F302-I403 CarbonylContact C-O 3.54Å; F302-I403 VanDerWaalsContact CA-O 3.29Å; F302-I403 WeakPolarHBondContact CA-O 3.42Å; A303-I403 HydrophobicContact CB-CD1 4.07Å; A303-I403 HydrophobicContact CB-CG1 3.77Å; A303-I403 PolarHBondContact N-O 2.98Å; A303-I403 WeakPolarHBondContact O-CG1 3.4Å; A303-I403 PolarHBondContact O-N 3.43Å; Q305-I403 HydrophobicContact CG-CD1 4.46Å; I403-Y412 HydrophobicContact CB-CD1 4.35Å; I403-Y412 HydrophobicContact CD1-CD1 3.75Å; I403-Y412 HydrophobicContact CD1-CD2 4.03Å; I403-Y412 HydrophobicContact CD1-CE1 4.27Å; I403-Y412 HydrophobicContact CD1-CE2 4.49Å; I403-Y412 HydrophobicContact CD1-CG 3.64Å; I403-Y412 HydrophobicContact CG1-CD1 3.81Å; I403-Y412 HydrophobicContact CG1-CE1 4.38Å; I403-Y412 HydrophobicContact CG1-CG 4.15Å; I403-V413 CarbonylContact C-O 3.56Å; I403-V413 WeakPolarHBondContact CA-O 3.32Å
404	Q	93.5	Very high	86.4	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	135.1	175.3	-166.2	-175.5	24	0	0	110	G300 H301 F302 L406 Y412 V413 V415 R433	G300-Q404 PolarHBondContact O-NE2 3.01Å; H301-Q404 WeakPolarHBondContact O-CA 3.49Å; F302-Q404 HydrophobicContact CD1-CB 3.92Å; F302-Q404 HydrophobicContact CD1-CG 4Å; F302-Q404 HydrophobicContact CE1-CB 3.86Å; F302-Q404 HydrophobicContact CE1-CG 3.75Å; F302-Q404 HydrophobicContact CZ-CG 4.08Å; Q404-L406 HydrophobicContact CG-CD2 4.24Å; Q404-L406 PolarHBondContact O-N 3.13Å; Q404-Y412 WeakPolarHBondContact O-CA 3.47Å; Q404-V413 PolarHBondContact N-O 2.92Å; Q404-V413 PolarHBondContact O-N 3.46Å; Q404-V415 HydrophobicContact CB-CG1 3.81Å; Q404-V415 HydrophobicContact CB-CG2 4.23Å; Q404-R433 PolarHBondContact NE2-O 3.41Å; Q404-R433 VanDerWaalsContact NE2-O 3.16Å
405	F	91	Very high	87	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	113	172.9	-174.7	-101.2	0	0	0	110.9	W280 L295 M298 G300 H301 Y412	W280-F405 HydrophobicContact CD2-CE2 4.26Å; W280-F405 AromaticContact CE2-CE2 3.89Å; W280-F405 HydrophobicContact CE3-CE2 4.34Å; W280-F405 HydrophobicContact CH2-CD2 4.17Å; W280-F405 AromaticContact CH2-CE2 3.78Å; W280-F405 HydrophobicContact CH2-CE2 3.78Å; W280-F405 HydrophobicContact CZ2-CD2 4.49Å; W280-F405 AromaticContact CZ2-CE2 3.67Å; W280-F405 HydrophobicContact CZ2-CE2 3.67Å; W280-F405 HydrophobicContact CZ3-CD2 4.33Å; W280-F405 HydrophobicContact CZ3-CE2 4.12Å; L295-F405 HydrophobicContact CD2-CE1 4.15Å; L295-F405 HydrophobicContact CD2-CZ 3.77Å; M298-F405 HydrophobicContact CB-CD1 4.23Å; M298-F405 HydrophobicContact CB-CE1 4.38Å; M298-F405 HydrophobicContact CE-CZ 4.48Å; G300-F405 WeakPolarHBondContact CA-O 3.29Å; G300-F405 PolarHBondContact N-O 2.83Å; G300-F405 VanDerWaalsContact N-O 3.11Å; H301-F405 WeakPolarHBondContact CE1-CB 3.49Å; H301-F405 AromaticContact CE1-CG 3.77Å; H301-F405 WeakPolarHBondContact ND1-CB 3.29Å; H301-F405 PolarHBondContact O-N 3.38Å; F405-Y412 HydrophobicContact CB-CD1 3.92Å; F405-Y412 HydrophobicContact CB-CE1 3.67Å; F405-Y412 HydrophobicContact CD2-CD1 4.3Å; F405-Y412 HydrophobicContact CD2-CE1 4.16Å; F405-Y412 HydrophobicContact CG-CE1 4.39Å
406	L	88.5	Confident	87.4	Confident	20 Å²	20	33.8 Å²	33.8	11%	0.105	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	107.4	-180	-63.7	-175.9	0	0	0	110.5	Q404 K408 Y409 D410 S411 V413 R433	Q404-L406 HydrophobicContact CG-CD2 4.24Å; Q404-L406 PolarHBondContact O-N 3.13Å; L406-K408 PolarHBondContact O-N 3.45Å; L406-Y409 HydrophobicContact CB-CD2 4.22Å; L406-Y409 HydrophobicContact CD1-CD2 4.38Å; L406-Y409 HydrophobicContact CD1-CE2 4.42Å; L406-Y409 PolarHBondContact O-N 2.84Å; L406-D410 PolarHBondContact O-N 3.42Å; L406-S411 PolarHBondContact N-O 2.85Å; L406-V413 HydrophobicContact CD1-CB 4.01Å; L406-V413 HydrophobicContact CD1-CG2 3.82Å; L406-V413 HydrophobicContact CG-CG2 4.39Å; L406-R433 HydrophobicContact CD2-CB 3.94Å; L406-R433 HydrophobicContact CD2-CG 4.21Å
407	S	79.4	Confident	87.8	Confident	47 Å²	47	35.3 Å²	35.3	33%	0.329	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-17.6	179.1	173.5	0	0	0	0	114.4	Y409	S407-Y409 PolarHBondContact O-N 2.82Å
408	K	79.7	Confident	88.2	Confident	171 Å²	171	34.6 Å²	34.6	74%	0.743	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-30.5	173.6	-174.3	179.5	176.4	-167.6	0	112.4	L406	L406-K408 PolarHBondContact O-N 3.45Å
409	Y	79.8	Confident	88.6	Confident	136 Å²	136	36.6 Å²	36.6	53%	0.533	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-2.1	-174.7	-53.6	-60.8	0	0	0	112.7	L406 S407 S411 V413	L406-Y409 HydrophobicContact CB-CD2 4.22Å; L406-Y409 HydrophobicContact CD1-CD2 4.38Å; L406-Y409 HydrophobicContact CD1-CE2 4.42Å; L406-Y409 PolarHBondContact O-N 2.84Å; S407-Y409 PolarHBondContact O-N 2.82Å; Y409-S411 VanDerWaalsContact CB-OG 3.27Å; Y409-S411 WeakPolarHBondContact CB-OG 3.46Å; Y409-S411 PolarHBondContact O-N 2.93Å; Y409-S411 VanDerWaalsContact O-N 3.14Å; Y409-V413 HydrophobicContact CD2-CG2 4.49Å
410	D	82.9	Confident	88.6	Confident	53 Å²	53	35.4 Å²	35.4	28%	0.283	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.6	41.8	-168.7	-78.2	-5.3	0	0	0	112.3	W280 R291 L406	W280-D410 VanDerWaalsContact CZ2-O 3.28Å; W280-D410 WeakPolarHBondContact CZ2-O 3.5Å; R291-D410 IonicContact NH2-OD2 2.95Å; L406-D410 PolarHBondContact O-N 3.42Å
411	S	86.3	Confident	88.2	Confident	42 Å²	42	37.3 Å²	37.3	29%	0.294	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	158.7	-175	69.4	0	0	0	0	111.9	L406 Y409	L406-S411 PolarHBondContact N-O 2.85Å; Y409-S411 VanDerWaalsContact CB-OG 3.27Å; Y409-S411 WeakPolarHBondContact CB-OG 3.46Å; Y409-S411 PolarHBondContact O-N 2.93Å; Y409-S411 VanDerWaalsContact O-N 3.14Å
412	Y	88.4	Confident	87.9	Confident	60 Å²	60	42.6 Å²	42.6	24%	0.235	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	137.1	169.9	-73.1	-66.8	0	0	0	110.4	W279 W280 H301 A303 I403 Q404 F405	W279-Y412 PolarHBondContact NE1-OH 3Å; W280-Y412 AromaticContact CH2-CD2 3.95Å; W280-Y412 HydrophobicContact CH2-CD2 3.95Å; W280-Y412 AromaticContact CH2-CE2 3.85Å; W280-Y412 HydrophobicContact CH2-CE2 3.85Å; W280-Y412 HydrophobicContact CZ3-CD2 4.01Å; W280-Y412 AromaticContact CZ3-CE2 3.42Å; W280-Y412 HydrophobicContact CZ3-CE2 3.42Å; W280-Y412 VanDerWaalsContact CZ3-CE2 3.42Å; H301-Y412 AromaticContact CE1-CE1 3.76Å; H301-Y412 AromaticContact CE1-CZ 3.93Å; H301-Y412 PolarHBondContact CE1-OH 2.7Å; H301-Y412 AromaticContact NE2-CE1 3.32Å; H301-Y412 VanDerWaalsContact NE2-CE1 3.32Å; H301-Y412 WeakPolarHBondContact NE2-CE1 3.29Å; H301-Y412 AromaticContact NE2-CZ 3.47Å; H301-Y412 PolarHBondContact NE2-OH 3.45Å; A303-Y412 HydrophobicContact CB-CE1 4.4Å; I403-Y412 HydrophobicContact CB-CD1 4.35Å; I403-Y412 HydrophobicContact CD1-CD1 3.75Å; I403-Y412 HydrophobicContact CD1-CD2 4.03Å; I403-Y412 HydrophobicContact CD1-CE1 4.27Å; I403-Y412 HydrophobicContact CD1-CE2 4.49Å; I403-Y412 HydrophobicContact CD1-CG 3.64Å; I403-Y412 HydrophobicContact CG1-CD1 3.81Å; I403-Y412 HydrophobicContact CG1-CE1 4.38Å; I403-Y412 HydrophobicContact CG1-CG 4.15Å; Q404-Y412 WeakPolarHBondContact O-CA 3.47Å; F405-Y412 HydrophobicContact CB-CD1 3.92Å; F405-Y412 HydrophobicContact CB-CE1 3.67Å; F405-Y412 HydrophobicContact CD2-CD1 4.3Å; F405-Y412 HydrophobicContact CD2-CE1 4.16Å; F405-Y412 HydrophobicContact CG-CE1 4.39Å
413	V	89.8	Confident	87.7	Confident	39 Å²	39	47.5 Å²	47.5	24%	0.236	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	130.7	172.9	178.1	0	0	0	0	108.7	I403 Q404 L406 Y409 V415	I403-V413 CarbonylContact C-O 3.56Å; I403-V413 WeakPolarHBondContact CA-O 3.32Å; Q404-V413 PolarHBondContact N-O 2.92Å; Q404-V413 PolarHBondContact O-N 3.46Å; L406-V413 HydrophobicContact CD1-CB 4.01Å; L406-V413 HydrophobicContact CD1-CG2 3.82Å; L406-V413 HydrophobicContact CG-CG2 4.39Å; Y409-V413 HydrophobicContact CD2-CG2 4.49Å; V413-V415 PolarHBondContact O-N 3.12Å
414	T	89.4	Confident	87.7	Confident	57 Å²	57	55.2 Å²	55.2	35%	0.35	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	117.5	173.7	-50.2	0	0	0	0	109.9	E401 Q417	E401-T414 HydrophobicContact CB-CG2 4.28Å; T414-Q417 HydrophobicContact CG2-CG 4.41Å
415	V	92.4	Very high	87.7	Confident	3 Å²	3	57 Å²	57	2%	0.018	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	-18.8	-177.5	-67.5	0	0	0	0	112.6	F302 I402 Q404 V413 N428 L431 I432	F302-V415 HydrophobicContact CD1-CG2 4.21Å; F302-V415 HydrophobicContact CE1-CG2 4.07Å; I402-V415 HydrophobicContact CB-CG2 4.33Å; I402-V415 HydrophobicContact CG2-CG2 3.97Å; I402-V415 WeakPolarHBondContact O-CG2 3.43Å; I402-V415 PolarHBondContact O-N 3.47Å; Q404-V415 HydrophobicContact CB-CG1 3.81Å; Q404-V415 HydrophobicContact CB-CG2 4.23Å; V413-V415 PolarHBondContact O-N 3.12Å; V415-N428 PolarHBondContact O-N 3.29Å; V415-L431 HydrophobicContact CG1-CB 4.21Å; V415-I432 HydrophobicContact CB-CD1 4.24Å; V415-I432 HydrophobicContact CB-CG1 3.64Å; V415-I432 HydrophobicContact CG1-CG1 3.82Å; V415-I432 HydrophobicContact CG2-CD1 4.38Å; V415-I432 HydrophobicContact CG2-CG1 4.15Å
416	G	92.2	Very high	87.8	Confident	6 Å²	6	60 Å²	60	6%	0.062	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	169.1	177.5	0	0	0	0	0	113	I402 S426	I402-G416 PolarHBondContact N-O 2.91Å; I402-G416 PolarHBondContact O-N 2.96Å; G416-S426 CarbonylContact C-O 3.53Å; G416-S426 WeakPolarHBondContact CA-O 3.32Å
417	Q	91.9	Very high	87.9	Confident	36 Å²	36	60.9 Å²	60.9	17%	0.168	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	138.1	178.3	-66.5	-176.8	-32.8	0	0	110	S311 T399 I400 E401 T414 S426	S311-Q417 VanDerWaalsContact OG-CD 3.25Å; S311-Q417 PolarHBondContact OG-NE2 3.18Å; S311-Q417 PolarHBondContact OG-OE1 3.35Å; T399-Q417 HydrophobicContact CG2-CB 4.01Å; I400-Q417 CarbonylContact O-C 3.56Å; I400-Q417 WeakPolarHBondContact O-CA 3.4Å; E401-Q417 HydrophobicContact CG-CG 4.26Å; E401-Q417 PolarHBondContact OE1-NE2 2.71Å; E401-Q417 VanDerWaalsContact OE1-NE2 3.08Å; T414-Q417 HydrophobicContact CG2-CG 4.41Å; Q417-S426 PolarHBondContact N-O 2.89Å; Q417-S426 PolarHBondContact O-N 2.92Å; Q417-S426 PolarHBondContact O-OG 3.06Å
418	F	92.2	Very high	88.5	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	119	174.7	177.4	-99.3	0	0	0	109.5	R169 A170 S173 T399 I400 A420 N423 R424 L425	R169-F418 HydrophobicContact CB-CE1 3.68Å; R169-F418 HydrophobicContact CB-CZ 3.73Å; A170-F418 HydrophobicContact CB-CB 3.83Å; A170-F418 HydrophobicContact CB-CD1 3.58Å; A170-F418 HydrophobicContact CB-CE1 4.32Å; A170-F418 HydrophobicContact CB-CG 3.76Å; S173-F418 WeakPolarHBondContact OG-CE2 3.46Å; T399-F418 CarbonylContact C-O 3.56Å; T399-F418 VanDerWaalsContact CA-O 3.29Å; T399-F418 WeakPolarHBondContact CA-O 3.32Å; T399-F418 WeakPolarHBondContact CG2-O 3.48Å; I400-F418 HydrophobicContact CB-CB 4.42Å; I400-F418 PolarHBondContact N-O 3.16Å; I400-F418 PolarHBondContact O-N 2.98Å; F418-A420 HydrophobicContact CE1-CB 4.06Å; F418-N423 WeakPolarHBondContact CZ-OD1 3.36Å; F418-R424 WeakPolarHBondContact CA-O 3.27Å; F418-L425 HydrophobicContact CB-CD1 4.08Å; F418-L425 HydrophobicContact CD2-CB 4.07Å; F418-L425 HydrophobicContact CD2-CD1 4.41Å
419	D	89.3	Confident	89	Confident	46 Å²	46	58.5 Å²	58.5	25%	0.246	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	113.3	173.5	-170.5	-37	0	0	0	109.4	A421 E422 N423 R424	D419-A421 VanDerWaalsContact C-N 3.33Å; D419-A421 WeakPolarHBondContact OD1-CA 3.44Å; D419-A421 WeakPolarHBondContact OD1-CB 3.46Å; D419-A421 PolarHBondContact OD1-N 3.26Å; D419-E422 HydrophobicContact CB-CB 4.33Å; D419-E422 PolarHBondContact OD1-N 3.44Å; D419-E422 VanDerWaalsContact OD1-N 3.13Å; D419-N423 VanDerWaalsContact O-CA 3.22Å; D419-N423 WeakPolarHBondContact O-CA 3.27Å; D419-N423 PolarHBondContact O-N 3.1Å; D419-R424 PolarHBondContact N-O 3.3Å; D419-R424 PolarHBondContact O-N 3.2Å; D419-R424 VanDerWaalsContact O-N 3.08Å
420	A	87.4	Confident	89.5	Confident	3 Å²	3	55.8 Å²	55.8	3%	0.025	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-23.2	-179.6	0	0	0	0	0	113.7	S166 L397 G398 F418	S166-A420 WeakPolarHBondContact OG-CB 3.21Å; L397-A420 HydrophobicContact CB-CB 4.36Å; L397-A420 HydrophobicContact CD2-CB 4.49Å; G398-A420 VanDerWaalsContact O-CB 3.22Å; G398-A420 WeakPolarHBondContact O-CB 3.31Å; G398-A420 PolarHBondContact O-N 3.49Å; F418-A420 HydrophobicContact CE1-CB 4.06Å
421	A	82.9	Confident	89.8	Confident	42 Å²	42	56.6 Å²	56.6	35%	0.347	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-38.5	179.1	0	0	0	0	0	111.7	L397 D419	L397-A421 HydrophobicContact CB-CB 4.03Å; L397-A421 HydrophobicContact CD1-CB 4.38Å; D419-A421 VanDerWaalsContact C-N 3.33Å; D419-A421 WeakPolarHBondContact OD1-CA 3.44Å; D419-A421 WeakPolarHBondContact OD1-CB 3.46Å; D419-A421 PolarHBondContact OD1-N 3.26Å
422	E	84.9	Confident	90.1	Very high	127 Å²	127	55 Å²	55	59%	0.593	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-8.6	174	-62.1	-169	170.4	0	0	113.2	D419 R424	D419-E422 HydrophobicContact CB-CB 4.33Å; D419-E422 PolarHBondContact OD1-N 3.44Å; D419-E422 VanDerWaalsContact OD1-N 3.13Å; E422-R424 VanDerWaalsContact C-N 3.26Å; E422-R424 HydrophobicContact CB-CB 4.18Å; E422-R424 PolarHBondContact O-N 3.24Å
423	N	88.1	Confident	90.2	Very high	105 Å²	105	60.2 Å²	60.2	56%	0.561	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	43.9	-172.8	-164.7	36.6	0	0	0	112.5	F418 D419	F418-N423 WeakPolarHBondContact CZ-OD1 3.36Å; D419-N423 VanDerWaalsContact O-CA 3.22Å; D419-N423 WeakPolarHBondContact O-CA 3.27Å; D419-N423 PolarHBondContact O-N 3.1Å
424	R	92	Very high	90.3	Very high	166 Å²	166	60.3 Å²	60.3	63%	0.626	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.1	126	-171.6	-172.6	178.2	179.5	178	0.3	111.6	F418 D419 E422	F418-R424 WeakPolarHBondContact CA-O 3.27Å; D419-R424 PolarHBondContact N-O 3.3Å; D419-R424 PolarHBondContact O-N 3.2Å; D419-R424 VanDerWaalsContact O-N 3.08Å; E422-R424 VanDerWaalsContact C-N 3.26Å; E422-R424 HydrophobicContact CB-CB 4.18Å; E422-R424 PolarHBondContact O-N 3.24Å
425	L	92.9	Very high	90.1	Very high	39 Å²	39	60.8 Å²	60.8	20%	0.204	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	129.7	171.2	-177.7	61.5	0	0	0	110.4	S173 N177 I402 F418 I427	S173-L425 WeakPolarHBondContact O-CD2 3.35Å; N177-L425 HydrophobicContact CB-CD2 4Å; I402-L425 HydrophobicContact CD1-CD1 3.63Å; F418-L425 HydrophobicContact CB-CD1 4.08Å; F418-L425 HydrophobicContact CD2-CB 4.07Å; F418-L425 HydrophobicContact CD2-CD1 4.41Å; L425-I427 HydrophobicContact CD1-CD1 4.25Å; L425-I427 HydrophobicContact CD1-CG1 4.04Å; L425-I427 HydrophobicContact CD2-CD1 3.65Å; L425-I427 HydrophobicContact CD2-CG1 4.25Å; L425-I427 HydrophobicContact CG-CD1 3.93Å; L425-I427 HydrophobicContact CG-CG1 3.96Å
426	S	92.8	Very high	89.6	Confident	62 Å²	62	66 Å²	66	43%	0.434	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	112.3	173.4	60.6	0	0	0	0	109.2	G416 Q417	G416-S426 CarbonylContact C-O 3.53Å; G416-S426 WeakPolarHBondContact CA-O 3.32Å; Q417-S426 PolarHBondContact N-O 2.89Å; Q417-S426 PolarHBondContact O-N 2.92Å; Q417-S426 PolarHBondContact O-OG 3.06Å
427	I	92	Very high	89.3	Confident	38 Å²	38	69 Å²	69	20%	0.195	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	135.6	179.1	-69.8	167.4	0	0	0	108.9	F174 N177 Y178 L425 E429 I432	F174-I427 HydrophobicContact CD2-CD1 3.89Å; F174-I427 HydrophobicContact CE2-CD1 4.07Å; N177-I427 HydrophobicContact CB-CD1 4.32Å; Y178-I427 HydrophobicContact CE2-CD1 4.48Å; L425-I427 HydrophobicContact CD1-CD1 4.25Å; L425-I427 HydrophobicContact CD1-CG1 4.04Å; L425-I427 HydrophobicContact CD2-CD1 3.65Å; L425-I427 HydrophobicContact CD2-CG1 4.25Å; L425-I427 HydrophobicContact CG-CD1 3.93Å; L425-I427 HydrophobicContact CG-CG1 3.96Å; I427-E429 HydrophobicContact CG2-CG 4.21Å; I427-I432 HydrophobicContact CG2-CD1 3.46Å; I427-I432 VanDerWaalsContact CG2-CD1 3.46Å
428	N	92.4	Very high	89.1	Confident	78 Å²	78	70.6 Å²	70.6	42%	0.417	38%	0.379	S	S	.	.			trans	-98.2	88.8	169.4	-169.4	-9.9	0	0	0	109.9	V415 S430 L431	V415-N428 PolarHBondContact O-N 3.29Å; N428-S430 PolarHBondContact O-N 3.46Å; N428-S430 PolarHBondContact OD1-N 3.19Å; N428-S430 PolarHBondContact OD1-OG 3.31Å; N428-L431 HydrophobicContact CB-CD1 4.08Å; N428-L431 HydrophobicContact CB-CG 4.31Å; N428-L431 WeakPolarHBondContact ND2-CD1 3.47Å; N428-L431 PolarHBondContact O-N 3.05Å
429	E	90.1	Very high	89	Confident	90 Å²	90	73 Å²	73	42%	0.421	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-25.1	-178.7	-66.2	-67.6	168.4	0	0	113.1	Y178 I427 L431 I432	Y178-E429 PolarHBondContact OH-OE1 3.15Å; Y178-E429 PolarHBondContact OH-OE2 3.15Å; Y178-E429 VanDerWaalsContact OH-OE2 3.13Å; I427-E429 HydrophobicContact CG2-CG 4.21Å; E429-L431 VanDerWaalsContact C-N 3.26Å; E429-L431 PolarHBondContact O-N 3.23Å; E429-I432 PolarHBondContact O-N 3.06Å
430	S	89.4	Confident	89	Confident	79 Å²	79	71.4 Å²	71.4	55%	0.552	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-24	178.5	74	0	0	0	0	113.8	N428	N428-S430 PolarHBondContact O-N 3.46Å; N428-S430 PolarHBondContact OD1-N 3.19Å; N428-S430 PolarHBondContact OD1-OG 3.31Å
431	L	90.4	Very high	88.9	Confident	70 Å²	70	72.6 Å²	72.6	37%	0.366	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-24.8	178.1	-63.9	178	0	0	0	112.1	V415 N428 E429	V415-L431 HydrophobicContact CG1-CB 4.21Å; N428-L431 HydrophobicContact CB-CD1 4.08Å; N428-L431 HydrophobicContact CB-CG 4.31Å; N428-L431 WeakPolarHBondContact ND2-CD1 3.47Å; N428-L431 PolarHBondContact O-N 3.05Å; E429-L431 VanDerWaalsContact C-N 3.26Å; E429-L431 PolarHBondContact O-N 3.23Å
432	I	91.7	Very high	89	Confident	8 Å²	8	71.7 Å²	71.7	4%	0.041	39%	0.386	C	S	.	.			trans	-70.9	133.1	179	-63.3	179.9	0	0	0	109.7	Y178 F302 V415 I427 E429 W434	Y178-I432 VanDerWaalsContact OH-CD1 3.25Å; Y178-I432 WeakPolarHBondContact OH-CD1 3.42Å; F302-I432 HydrophobicContact CE1-CD1 4.43Å; F302-I432 HydrophobicContact CE1-CG2 4.44Å; F302-I432 HydrophobicContact CZ-CG2 4.07Å; V415-I432 HydrophobicContact CB-CD1 4.24Å; V415-I432 HydrophobicContact CB-CG1 3.64Å; V415-I432 HydrophobicContact CG1-CG1 3.82Å; V415-I432 HydrophobicContact CG2-CD1 4.38Å; V415-I432 HydrophobicContact CG2-CG1 4.15Å; I427-I432 HydrophobicContact CG2-CD1 3.46Å; I427-I432 VanDerWaalsContact CG2-CD1 3.46Å; E429-I432 PolarHBondContact O-N 3.06Å; I432-W434 HydrophobicContact CG2-CD2 4.15Å; I432-W434 HydrophobicContact CG2-CG 4.39Å; I432-W434 HydrophobicContact CG2-CZ2 3.85Å
433	R	90.7	Very high	88.8	Confident	170 Å²	170	66.5 Å²	66.5	64%	0.642	36%	0.364	S	S	*	.			trans	-120	104.6	175.2	-62.3	-62.2	-178.6	-168.8	-3.1	110.3	Q404 L406	Q404-R433 PolarHBondContact NE2-O 3.41Å; Q404-R433 VanDerWaalsContact NE2-O 3.16Å; L406-R433 HydrophobicContact CD2-CB 3.94Å; L406-R433 HydrophobicContact CD2-CG 4.21Å
434	W	90.6	Very high	88.2	Confident	42 Å²	42	63.4 Å²	63.4	16%	0.159	35%	0.348	C	S	.	.			trans	-80.5	145.3	169.6	-58.8	107.6	0	0	0	110.9	Y178 W180 V268 F302 I432 N436 G437 S438 P439	Y178-W434 HydrophobicContact CD1-CZ2 4.48Å; Y178-W434 AromaticContact CE1-CZ2 3.88Å; Y178-W434 HydrophobicContact CE1-CZ2 3.88Å; Y178-W434 HydrophobicContact CE2-CZ2 4.16Å; Y178-W434 AromaticContact CZ-CZ2 3.7Å; W180-W434 HydrophobicContact CH2-CH2 4.03Å; W180-W434 HydrophobicContact CZ2-CH2 4.32Å; V268-W434 HydrophobicContact CG2-CZ3 3.93Å; F302-W434 AromaticContact CE2-CH2 3.59Å; F302-W434 HydrophobicContact CE2-CH2 3.59Å; F302-W434 HydrophobicContact CE2-CZ2 4.48Å; F302-W434 AromaticContact CE2-CZ3 3.71Å; F302-W434 HydrophobicContact CE2-CZ3 3.71Å; F302-W434 AromaticContact CZ-CH2 3.63Å; F302-W434 HydrophobicContact CZ-CH2 3.63Å; F302-W434 HydrophobicContact CZ-CZ2 4.09Å; F302-W434 HydrophobicContact CZ-CZ3 4.03Å; I432-W434 HydrophobicContact CG2-CD2 4.15Å; I432-W434 HydrophobicContact CG2-CG 4.39Å; I432-W434 HydrophobicContact CG2-CZ2 3.85Å; W434-N436 PolarHBondContact O-N 3.32Å; W434-G437 PolarHBondContact O-N 2.89Å; W434-S438 WeakPolarHBondContact CB-O 3.48Å; W434-P439 HydrophobicContact CD2-CB 4.18Å; W434-P439 HydrophobicContact CE3-CB 4.35Å; W434-P439 HydrophobicContact CH2-CB 4.1Å; W434-P439 HydrophobicContact CZ2-CB 3.91Å; W434-P439 HydrophobicContact CZ3-CB 4.3Å
435	I	86	Confident	87.2	Confident	67 Å²	67	60.8 Å²	60.8	34%	0.344	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-38.4	-176.6	-63	169.3	0	0	0	111.6	G264 A265	G264-I435 VanDerWaalsContact C-CD1 3.46Å; A265-I435 HydrophobicContact CB-CB 3.87Å; A265-I435 HydrophobicContact CB-CG2 3.76Å
436	N	82.5	Confident	86.2	Confident	113 Å²	113	64.5 Å²	64.5	60%	0.604	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	16.3	176.4	-81.3	-1.5	0	0	0	113.4	A265 W434 S438	A265-N436 HydrophobicContact CB-CB 4.05Å; A265-N436 VanDerWaalsContact CB-ND2 3.31Å; A265-N436 WeakPolarHBondContact CB-ND2 3.42Å; A265-N436 WeakPolarHBondContact CB-OD1 3.3Å; W434-N436 PolarHBondContact O-N 3.32Å; N436-S438 PolarHBondContact O-N 2.89Å; N436-S438 VanDerWaalsContact O-N 3.12Å
437	G	85.4	Confident	85.5	Confident	67 Å²	67	65.7 Å²	65.7	69%	0.691	36%	0.361	S	S	*	.	S	Bend	trans	78.2	-20.5	-177.9	0	0	0	0	0	115.4	W434	W434-G437 PolarHBondContact O-N 2.89Å
438	S	87.4	Confident	84.9	Confident	71 Å²	71	69 Å²	69	50%	0.497	37%	0.374	S	S	.	.	S	Bend	trans	-122.9	154.7	173.5	65	0	0	0	0	112	W434 N436	W434-S438 WeakPolarHBondContact CB-O 3.48Å; N436-S438 PolarHBondContact O-N 2.89Å; N436-S438 VanDerWaalsContact O-N 3.12Å
439	P	90.3	Very high	84.6	Confident	51 Å²	51	68.6 Å²	68.6	33%	0.331	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-61.3	146.3	170	26.4	-34.2	0	0	0	110.7	Y178 W180 W434	Y178-P439 HydrophobicContact CD1-CB 4.13Å; Y178-P439 HydrophobicContact CD1-CG 4.03Å; Y178-P439 HydrophobicContact CE1-CG 4.45Å; W180-P439 HydrophobicContact CZ2-CB 4.17Å; W434-P439 HydrophobicContact CD2-CB 4.18Å; W434-P439 HydrophobicContact CE3-CB 4.35Å; W434-P439 HydrophobicContact CH2-CB 4.1Å; W434-P439 HydrophobicContact CZ2-CB 3.91Å; W434-P439 HydrophobicContact CZ3-CB 4.3Å
440	P	89.1	Confident	84.4	Confident	12 Å²	12	69.3 Å²	69.3	8%	0.078	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-72.7	159	176.5	27.4	-31.2	0	0	0	112.5	W180 I241 A265 V268	W180-P440 PolarHBondContact NE1-O 3.45Å; I241-P440 HydrophobicContact CD1-CG 4.36Å; A265-P440 WeakPolarHBondContact O-CB 3.4Å; V268-P440 HydrophobicContact CG2-CG 3.31Å
441	A	85.9	Confident	84.3	Confident	27 Å²	27	71.3 Å²	71.3	22%	0.223	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-72.1	152.2	168.3	0	0	0	0	0	110.8	R240 S443	R240-A441 VanDerWaalsContact CD-O 3.27Å; R240-A441 WeakPolarHBondContact CD-O 3.5Å; A441-S443 VanDerWaalsContact C-N 3.32Å; A441-S443 PolarHBondContact O-N 3.3Å
442	D	85.7	Confident	84.3	Confident	24 Å²	24	70.6 Å²	70.6	13%	0.128	36%	0.361	C	S	.	.	S	Bend	trans	-76	-15.4	-178.7	62.9	1.7	0	0	0	114.2	W180 T181 K182 I241	W180-D442 HydrophobicContact CB-CB 4.29Å; W180-D442 HydrophobicContact CG-CB 4.4Å; T181-D442 WeakPolarHBondContact CA-OD2 3.32Å; T181-D442 PolarHBondContact N-OD2 3.21Å; T181-D442 PolarHBondContact OG1-OD2 3.48Å; K182-D442 HydrophobicContact CB-CB 4.25Å; K182-D442 PolarHBondContact N-OD2 3.34Å; I241-D442 HydrophobicContact CG1-CB 4.18Å
443	S	79.5	Confident	84.3	Confident	18 Å²	18	70.8 Å²	70.8	13%	0.126	36%	0.363	C	S	.	.	S	Bend	trans	-156.8	160.8	175.6	51.6	0	0	0	0	112.4	K182 A441 Q445	K182-S443 PolarHBondContact NZ-OG 2.99Å; A441-S443 VanDerWaalsContact C-N 3.32Å; A441-S443 PolarHBondContact O-N 3.3Å; S443-Q445 PolarHBondContact O-N 3.5Å
444	T	76.4	Confident	84.3	Confident	39 Å²	39	66.5 Å²	66.5	24%	0.239	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-61.9	132.7	167.3	48.6	0	0	0	0	111.6	D238 I615	D238-T444 WeakPolarHBondContact OD2-CG2 3.44Å; D238-T444 PolarHBondContact OD2-N 3.12Å; D238-T444 PolarHBondContact OD2-OG1 3.47Å; T444-I615 HydrophobicContact CG2-CD1 4.14Å; T444-I615 HydrophobicContact CG2-CG1 4.27Å
445	Q	71.1	Confident	84.4	Confident	112 Å²	112	69.2 Å²	69.2	52%	0.523	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	126.5	174.4	-63	-173.6	-0.2	0	0	110.7	S443 N613 V614 I615	S443-Q445 PolarHBondContact O-N 3.5Å; Q445-N613 PolarHBondContact N-O 3.08Å; Q445-V614 CarbonylContact O-C 3.4Å; Q445-V614 WeakPolarHBondContact O-CA 3.27Å; Q445-I615 PolarHBondContact O-N 3.38Å
446	E	71.8	Confident	84.8	Confident	117 Å²	117	69.3 Å²	69.3	55%	0.547	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	120.2	173.1	-64.6	-169.6	-179.5	0	0	110.7	I615 N617	E446-I615 WeakPolarHBondContact CA-O 3.48Å; E446-N617 PolarHBondContact OE2-ND2 3.46Å
447	L	77.7	Confident	85.3	Confident	86 Å²	86	65.2 Å²	65.2	45%	0.45	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	118.5	174.8	-67.4	-178.7	0	0	0	110.5	V614 I615 I616 N617	L447-V614 HydrophobicContact CB-CG1 4.16Å; L447-V614 HydrophobicContact CD1-CG1 3.41Å; L447-V614 VanDerWaalsContact CD1-CG1 3.41Å; L447-V614 HydrophobicContact CG-CG1 3.67Å; L447-I615 PolarHBondContact N-O 3.18Å; L447-I616 WeakPolarHBondContact O-CA 3.28Å; L447-N617 PolarHBondContact O-N 2.95Å
448	F	79.7	Confident	85.8	Confident	109 Å²	109	63.2 Å²	63.2	48%	0.478	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	117.5	173	-65.2	-82.7	0	0	0	110.1	N617 T619	F448-N617 WeakPolarHBondContact CA-O 3.14Å; F448-N617 HydrophobicContact CD1-CB 3.64Å; F448-N617 HydrophobicContact CE1-CB 3.74Å; F448-N617 HydrophobicContact CG-CB 4.42Å; F448-T619 HydrophobicContact CD1-CG2 4.31Å
449	V	84.9	Confident	86.1	Confident	69 Å²	69	62.9 Å²	62.9	42%	0.418	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	119.9	-177.4	-178.3	0	0	0	0	109.5	I616 N617 P618 T619	V449-I616 HydrophobicContact CB-CG2 4.23Å; V449-I616 HydrophobicContact CG2-CG2 3.84Å; V449-N617 PolarHBondContact N-O 2.61Å; V449-N617 VanDerWaalsContact N-O 3.16Å; V449-P618 CarbonylContact O-C 3.41Å; V449-P618 WeakPolarHBondContact O-CA 3.49Å; V449-T619 PolarHBondContact O-N 3.11Å; V449-T619 PolarHBondContact O-OG1 3.44Å
450	R	86	Confident	86.4	Confident	105 Å²	105	64.9 Å²	64.9	40%	0.396	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	129.8	175.7	-66.7	179.8	-174.5	177.4	-2.8	110.1	Y452 E522 T619	R450-Y452 HydrophobicContact CB-CD2 4.4Å; R450-Y452 HydrophobicContact CB-CE2 3.58Å; R450-Y452 WeakPolarHBondContact CD-OH 3.3Å; R450-E522 IonicContact CZ-OE1 3.27Å; R450-E522 VanDerWaalsContact CZ-OE1 3.31Å; R450-E522 IonicContact NH1-OE1 2.73Å; R450-E522 PolarHBondContact NH1-OE1 3.21Å; R450-E522 IonicContact NH2-OE1 2.95Å; R450-E522 PolarHBondContact NH2-OE1 3.19Å; R450-T619 CarbonylContact C-O 3.29Å; R450-T619 WeakPolarHBondContact CA-O 3.37Å; R450-T619 WeakPolarHBondContact CG-OG1 3.46Å
451	R	88.1	Confident	86.7	Confident	121 Å²	121	65 Å²	65	46%	0.457	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	129.6	174.5	-71.2	-172.3	176.5	-178.6	-1	109.8	P618 T619 V620	R451-P618 HydrophobicContact CG-CB 4.49Å; R451-T619 PolarHBondContact N-O 3.28Å; R451-V620 HydrophobicContact CB-CG1 4.04Å
452	Y	89.9	Confident	87.2	Confident	54 Å²	54	65 Å²	65	21%	0.212	33%	0.33	C	S	.	.			trans	-120.7	167.5	-179.1	-62.7	-77.7	0	0	0	110.6	R450 D454 D516 T517 R518 E621	R450-Y452 HydrophobicContact CB-CD2 4.4Å; R450-Y452 HydrophobicContact CB-CE2 3.58Å; R450-Y452 WeakPolarHBondContact CD-OH 3.3Å; Y452-D454 PolarHBondContact O-N 2.74Å; Y452-D516 HydrophobicContact CD1-CB 3.72Å; Y452-D516 VanDerWaalsContact CD1-OD2 3.31Å; Y452-D516 WeakPolarHBondContact CD1-OD2 3.14Å; Y452-D516 HydrophobicContact CE1-CB 4.15Å; Y452-T517 PolarHBondContact OH-OG1 3.4Å; Y452-R518 HydrophobicContact CD1-CG 4.07Å; Y452-R518 HydrophobicContact CD2-CG 4.15Å; Y452-R518 HydrophobicContact CE1-CG 3.86Å; Y452-R518 HydrophobicContact CE2-CG 3.95Å; Y452-R518 HydrophobicContact CG-CG 4.19Å; Y452-E621 WeakPolarHBondContact CE1-OE1 3.5Å; Y452-E621 PolarHBondContact OH-OE1 2.82Å
453	V	91	Very high	87.7	Confident	13 Å²	13	67.6 Å²	67.6	8%	0.079	35%	0.351	C	S	.	.			trans	-61.1	134	166.4	179.2	0	0	0	0	108.2	Q455 V457 F458 R518 V692 N693 Y696	V453-Q455 PolarHBondContact O-N 3.35Å; V453-V457 HydrophobicContact CG1-CB 4.3Å; V453-V457 HydrophobicContact CG1-CG1 4.19Å; V453-F458 HydrophobicContact CG1-CB 4.3Å; V453-R518 PolarHBondContact O-NH2 3.21Å; V453-V692 HydrophobicContact CG2-CG1 3.7Å; V453-N693 VanDerWaalsContact CA-OD1 3.31Å; V453-N693 WeakPolarHBondContact CA-OD1 3.2Å; V453-Y696 HydrophobicContact CG1-CD1 3.61Å; V453-Y696 HydrophobicContact CG1-CE1 4.08Å; V453-Y696 HydrophobicContact CG1-CG 4.24Å; V453-Y696 HydrophobicContact CG2-CD1 4.34Å; V453-Y696 HydrophobicContact CG2-CG 4.13Å
454	D	92.4	Very high	88.5	Confident	79 Å²	79	69.9 Å²	69.9	42%	0.422	36%	0.361	S	S	.	.			trans	-56.9	133.1	176.3	-165.5	-51.7	0	0	0	110.2	Y452 S456 V457 F458 N693	Y452-D454 PolarHBondContact O-N 2.74Å; D454-S456 VanDerWaalsContact CG-OG 3.22Å; D454-S456 PolarHBondContact O-N 3.39Å; D454-S456 WeakPolarHBondContact OD1-CB 3.43Å; D454-S456 PolarHBondContact OD1-N 3.36Å; D454-S456 PolarHBondContact OD1-OG 3.18Å; D454-V457 HydrophobicContact CB-CB 4.25Å; D454-V457 HydrophobicContact CB-CG2 3.95Å; D454-V457 WeakPolarHBondContact O-CB 3.3Å; D454-V457 PolarHBondContact O-N 2.98Å; D454-V457 VanDerWaalsContact O-N 3.1Å; D454-F458 PolarHBondContact O-N 3.11Å; D454-N693 PolarHBondContact N-OD1 2.9Å
455	Q	91.5	Very high	89.4	Confident	100 Å²	100	68 Å²	68	47%	0.467	35%	0.35	S	S	.	.	H	α-helix	trans	-56.2	-37.9	-178.7	-168	74.2	8.1	0	0	111.2	V453 F458 C459	V453-Q455 PolarHBondContact O-N 3.35Å; Q455-F458 PolarHBondContact O-N 3.46Å; Q455-C459 WeakPolarHBondContact O-CB 3.43Å; Q455-C459 PolarHBondContact O-N 3.16Å; Q455-C459 PolarHBondContact O-SG 3.03Å
456	S	93.7	Very high	90.6	Very high	68 Å²	68	65.5 Å²	65.5	48%	0.476	35%	0.345	S	S	.	.	H	α-helix	trans	-62.2	-46.4	178.3	60.1	0	0	0	0	111.6	D454 C459 V460	D454-S456 VanDerWaalsContact CG-OG 3.22Å; D454-S456 PolarHBondContact O-N 3.39Å; D454-S456 WeakPolarHBondContact OD1-CB 3.43Å; D454-S456 PolarHBondContact OD1-N 3.36Å; D454-S456 PolarHBondContact OD1-OG 3.18Å; S456-C459 PolarHBondContact O-N 3.2Å; S456-V460 WeakPolarHBondContact O-CG2 3.5Å; S456-V460 PolarHBondContact O-N 3.14Å
457	V	94.3	Very high	91.8	Very high	28 Å²	28	65 Å²	65	17%	0.17	35%	0.345	C	S	.	.	H	α-helix	trans	-62.7	-44.7	178.3	173.8	0	0	0	0	110.8	V453 D454 V460 M461 Y696 I697	V453-V457 HydrophobicContact CG1-CB 4.3Å; V453-V457 HydrophobicContact CG1-CG1 4.19Å; D454-V457 HydrophobicContact CB-CB 4.25Å; D454-V457 HydrophobicContact CB-CG2 3.95Å; D454-V457 WeakPolarHBondContact O-CB 3.3Å; D454-V457 PolarHBondContact O-N 2.98Å; D454-V457 VanDerWaalsContact O-N 3.1Å; V457-V460 PolarHBondContact O-N 3.37Å; V457-M461 WeakPolarHBondContact O-CG 3.32Å; V457-M461 PolarHBondContact O-N 3.06Å; V457-Y696 HydrophobicContact CG1-CD1 4.01Å; V457-Y696 HydrophobicContact CG1-CE1 4.35Å; V457-I697 HydrophobicContact CG1-CD1 3.75Å; V457-I697 HydrophobicContact CG1-CG1 3.4Å; V457-I697 VanDerWaalsContact CG1-CG1 3.4Å; V457-I697 HydrophobicContact CG2-CD1 4.12Å
458	F	94.9	Very high	92.7	Very high	25 Å²	25	61.6 Å²	61.6	11%	0.11	33%	0.328	C	S	.	.	H	α-helix	trans	-61.9	-44.4	178.2	-178.6	-108.1	0	0	0	112.3	V453 D454 Q455 M461 C462 I519 Y696	V453-F458 HydrophobicContact CG1-CB 4.3Å; D454-F458 PolarHBondContact O-N 3.11Å; Q455-F458 PolarHBondContact O-N 3.46Å; F458-M461 PolarHBondContact O-N 3.34Å; F458-C462 VanDerWaalsContact CZ-SG 3.52Å; F458-C462 WeakPolarHBondContact O-CB 3.23Å; F458-C462 PolarHBondContact O-N 2.64Å; F458-C462 PolarHBondContact O-SG 3.48Å; F458-I519 HydrophobicContact CD1-CD1 4.36Å; F458-I519 HydrophobicContact CE1-CD1 3.72Å; F458-I519 HydrophobicContact CZ-CD1 3.91Å; F458-Y696 HydrophobicContact CD2-CE1 4.44Å
459	C	94.7	Very high	93.6	Very high	63 Å²	63	57.8 Å²	57.8	43%	0.426	31%	0.312	S	S	.	.	H	α-helix	trans	-63.5	-41.7	177.7	-72.2	0	0	0	0	112.7	Q455 S456 S463	Q455-C459 WeakPolarHBondContact O-CB 3.43Å; Q455-C459 PolarHBondContact O-N 3.16Å; Q455-C459 PolarHBondContact O-SG 3.03Å; S456-C459 PolarHBondContact O-N 3.2Å; C459-S463 WeakPolarHBondContact O-CB 3.44Å; C459-S463 PolarHBondContact O-N 2.98Å; C459-S463 PolarHBondContact O-OG 3.03Å
460	V	95.9	Very high	94.1	Very high	94 Å²	94	59.9 Å²	59.9	57%	0.57	32%	0.321	S	S	*	.	H	α-helix	trans	-62.7	-47	177.5	170.6	0	0	0	0	110.9	S456 V457 S463 L464	S456-V460 WeakPolarHBondContact O-CG2 3.5Å; S456-V460 PolarHBondContact O-N 3.14Å; V457-V460 PolarHBondContact O-N 3.37Å; V460-S463 PolarHBondContact O-N 3.35Å; V460-L464 PolarHBondContact O-N 3.48Å; V460-L464 VanDerWaalsContact O-N 3.08Å
461	M	95.4	Very high	94.6	Very high	15 Å²	15	58.4 Å²	58.4	7%	0.074	32%	0.323	C	S	.	.	H	α-helix	trans	-65.1	-43.2	179.3	-68.6	-61.9	159.4	0	0	112.1	V457 F458 S463 L464 V465 Y696 I697 L701 I704	V457-M461 WeakPolarHBondContact O-CG 3.32Å; V457-M461 PolarHBondContact O-N 3.06Å; F458-M461 PolarHBondContact O-N 3.34Å; M461-S463 VanDerWaalsContact C-N 3.29Å; M461-S463 PolarHBondContact O-N 3.13Å; M461-L464 PolarHBondContact O-N 3.08Å; M461-V465 WeakPolarHBondContact O-CB 3.28Å; M461-V465 VanDerWaalsContact O-CG2 3.25Å; M461-V465 WeakPolarHBondContact O-CG2 3.31Å; M461-V465 PolarHBondContact O-N 2.84Å; M461-Y696 HydrophobicContact CB-CE1 4.02Å; M461-Y696 HydrophobicContact CG-CE1 3.87Å; M461-I697 HydrophobicContact CE-CB 4.49Å; M461-I697 HydrophobicContact CE-CG1 4.36Å; M461-I697 HydrophobicContact CE-CG2 4.06Å; M461-L701 HydrophobicContact CE-CD2 4.16Å; M461-L701 HydrophobicContact CE-CG 4.14Å; M461-L701 HydrophobicContact SD-CD2 4.5Å; M461-I704 HydrophobicContact SD-CD1 4.48Å
462	C	95.8	Very high	95	Very high	25 Å²	25	52.6 Å²	52.6	17%	0.169	30%	0.301	C	S	.	.	H	α-helix	trans	-60.1	-38	175.3	-74.5	0	0	0	0	112.7	F458 S466	F458-C462 VanDerWaalsContact CZ-SG 3.52Å; F458-C462 WeakPolarHBondContact O-CB 3.23Å; F458-C462 PolarHBondContact O-N 2.64Å; F458-C462 PolarHBondContact O-SG 3.48Å; C462-S466 WeakPolarHBondContact O-CB 3.47Å; C462-S466 PolarHBondContact O-N 3.19Å; C462-S466 PolarHBondContact O-OG 3.36Å
463	S	96.3	Very high	95.3	Very high	80 Å²	80	53.8 Å²	53.8	56%	0.559	31%	0.31	S	S	*	.	H	α-helix	trans	-66.1	-45.7	178	-57.5	0	0	0	0	111.5	C459 V460 M461 S466 L467	C459-S463 WeakPolarHBondContact O-CB 3.44Å; C459-S463 PolarHBondContact O-N 2.98Å; C459-S463 PolarHBondContact O-OG 3.03Å; V460-S463 PolarHBondContact O-N 3.35Å; M461-S463 VanDerWaalsContact C-N 3.29Å; M461-S463 PolarHBondContact O-N 3.13Å; S463-S466 PolarHBondContact O-N 2.94Å; S463-L467 PolarHBondContact O-N 2.86Å; S463-L467 VanDerWaalsContact O-N 3.12Å
464	L	96.3	Very high	95.5	Very high	66 Å²	66	56 Å²	56	35%	0.346	33%	0.327	S	S	.	.	H	α-helix	trans	-61.6	-45.2	176.4	-176.6	63	0	0	0	111.6	V460 M461 S466 L467 C468 I704	V460-L464 PolarHBondContact O-N 3.48Å; V460-L464 VanDerWaalsContact O-N 3.08Å; M461-L464 PolarHBondContact O-N 3.08Å; L464-S466 PolarHBondContact O-N 3.32Å; L464-L467 PolarHBondContact O-N 3.38Å; L464-C468 PolarHBondContact O-N 2.85Å; L464-C468 VanDerWaalsContact O-N 3.07Å; L464-C468 PolarHBondContact O-SG 3.09Å; L464-C468 VanDerWaalsContact O-SG 3.4Å; L464-I704 HydrophobicContact CD2-CD1 3.75Å; L464-I704 HydrophobicContact CD2-CG2 4.13Å; L464-I704 HydrophobicContact CG-CD1 4.15Å; L464-I704 HydrophobicContact CG-CG2 4.3Å
465	V	96.8	Very high	95.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-63.5	-41.5	177.7	172.2	0	0	0	0	111.6	M461 L467 C468 I469 Y507 V510 I511 I704	M461-V465 WeakPolarHBondContact O-CB 3.28Å; M461-V465 VanDerWaalsContact O-CG2 3.25Å; M461-V465 WeakPolarHBondContact O-CG2 3.31Å; M461-V465 PolarHBondContact O-N 2.84Å; V465-L467 VanDerWaalsContact C-N 3.32Å; V465-L467 PolarHBondContact O-N 3.18Å; V465-C468 WeakPolarHBondContact O-CB 3.21Å; V465-C468 PolarHBondContact O-N 2.98Å; V465-C468 VanDerWaalsContact O-N 3.16Å; V465-I469 HydrophobicContact CG1-CD1 3.83Å; V465-I469 HydrophobicContact CG1-CG1 4.32Å; V465-I469 WeakPolarHBondContact O-CG1 3.48Å; V465-I469 PolarHBondContact O-N 3.06Å; V465-Y507 WeakPolarHBondContact CG1-O 3.48Å; V465-V510 HydrophobicContact CG2-CB 3.87Å; V465-V510 HydrophobicContact CG2-CG1 3.68Å; V465-I511 HydrophobicContact CB-CG1 4.45Å; V465-I511 HydrophobicContact CG1-CD1 3.94Å; V465-I511 HydrophobicContact CG1-CG1 3.94Å; V465-I704 HydrophobicContact CG2-CD1 3.64Å; V465-I704 HydrophobicContact CG2-CG1 4.01Å
466	S	96.3	Very high	95.8	Very high	59 Å²	59	50 Å²	50	41%	0.413	30%	0.297	S	S	.	.	H	α-helix	trans	-61.1	-41.9	177.9	-61.1	0	0	0	0	111.6	C462 S463 L464 I469 L470	C462-S466 WeakPolarHBondContact O-CB 3.47Å; C462-S466 PolarHBondContact O-N 3.19Å; C462-S466 PolarHBondContact O-OG 3.36Å; S463-S466 PolarHBondContact O-N 2.94Å; L464-S466 PolarHBondContact O-N 3.32Å; S466-I469 PolarHBondContact O-N 3.4Å; S466-L470 WeakPolarHBondContact O-CG 3.25Å; S466-L470 PolarHBondContact O-N 3.04Å
467	L	96.7	Very high	95.8	Very high	106 Å²	106	51 Å²	51	56%	0.555	30%	0.3	S	S	*	.	H	α-helix	trans	-61	-45.4	173.3	-177.7	65.7	0	0	0	111.6	S463 L464 V465 I469 L470 V471	S463-L467 PolarHBondContact O-N 2.86Å; S463-L467 VanDerWaalsContact O-N 3.12Å; L464-L467 PolarHBondContact O-N 3.38Å; V465-L467 VanDerWaalsContact C-N 3.32Å; V465-L467 PolarHBondContact O-N 3.18Å; L467-I469 VanDerWaalsContact C-N 3.34Å; L467-I469 PolarHBondContact O-N 2.89Å; L467-L470 PolarHBondContact O-N 3.37Å; L467-V471 WeakPolarHBondContact O-CG2 3.33Å; L467-V471 PolarHBondContact O-N 2.83Å
468	C	96.9	Very high	95.7	Very high	15 Å²	15	52 Å²	52	10%	0.101	31%	0.306	C	S	.	.	H	α-helix	trans	-61.2	-39.6	176.6	-70.8	0	0	0	0	112.8	L464 V465 V471 A472 Y507	L464-C468 PolarHBondContact O-N 2.85Å; L464-C468 VanDerWaalsContact O-N 3.07Å; L464-C468 PolarHBondContact O-SG 3.09Å; L464-C468 VanDerWaalsContact O-SG 3.4Å; V465-C468 WeakPolarHBondContact O-CB 3.21Å; V465-C468 PolarHBondContact O-N 2.98Å; V465-C468 VanDerWaalsContact O-N 3.16Å; C468-V471 PolarHBondContact O-N 3Å; C468-A472 WeakPolarHBondContact O-CB 3.48Å; C468-A472 PolarHBondContact O-N 3.26Å; C468-Y507 HydrophobicContact CB-CD1 3.94Å; C468-Y507 HydrophobicContact CB-CD2 4.23Å; C468-Y507 HydrophobicContact CB-CE1 3.55Å; C468-Y507 HydrophobicContact CB-CE2 3.89Å; C468-Y507 HydrophobicContact CB-CG 4.29Å
469	I	97.1	Very high	95.6	Very high	28 Å²	28	51 Å²	51	14%	0.144	30%	0.302	C	S	.	.	H	α-helix	trans	-65.4	-43.7	176	-69.2	170.1	0	0	0	110.6	V465 S466 L467 V471 A472 I473 Y507	V465-I469 HydrophobicContact CG1-CD1 3.83Å; V465-I469 HydrophobicContact CG1-CG1 4.32Å; V465-I469 WeakPolarHBondContact O-CG1 3.48Å; V465-I469 PolarHBondContact O-N 3.06Å; S466-I469 PolarHBondContact O-N 3.4Å; L467-I469 VanDerWaalsContact C-N 3.34Å; L467-I469 PolarHBondContact O-N 2.89Å; I469-V471 VanDerWaalsContact C-N 3.34Å; I469-V471 PolarHBondContact O-N 3.29Å; I469-A472 PolarHBondContact O-N 2.97Å; I469-I473 HydrophobicContact CG2-CD1 3.77Å; I469-I473 HydrophobicContact CG2-CG1 4.34Å; I469-I473 VanDerWaalsContact O-CG1 3.32Å; I469-I473 WeakPolarHBondContact O-CG1 3.49Å; I469-I473 PolarHBondContact O-N 3.22Å; I469-Y507 HydrophobicContact CG1-CD2 4.08Å; I469-Y507 HydrophobicContact CG1-CG 4.11Å
470	L	96.9	Very high	95.5	Very high	114 Å²	114	51.7 Å²	51.7	60%	0.597	30%	0.301	S	S	*	.	H	α-helix	trans	-59.6	-44.1	175.9	-71.7	171.8	0	0	0	111.7	S466 L467 I473 S474	S466-L470 WeakPolarHBondContact O-CG 3.25Å; S466-L470 PolarHBondContact O-N 3.04Å; L467-L470 PolarHBondContact O-N 3.37Å; L470-I473 PolarHBondContact O-N 3.34Å; L470-S474 PolarHBondContact O-N 2.73Å
471	V	96	Very high	95.4	Very high	73 Å²	73	55.1 Å²	55.1	44%	0.442	31%	0.305	S	S	.	.	H	α-helix	trans	-61.3	-46.2	174.3	173.8	0	0	0	0	110.6	L467 C468 I469 I473 S474 L475	L467-V471 WeakPolarHBondContact O-CG2 3.33Å; L467-V471 PolarHBondContact O-N 2.83Å; C468-V471 PolarHBondContact O-N 3Å; I469-V471 VanDerWaalsContact C-N 3.34Å; I469-V471 PolarHBondContact O-N 3.29Å; V471-I473 PolarHBondContact O-N 3.09Å; V471-S474 PolarHBondContact O-N 2.82Å; V471-S474 PolarHBondContact O-OG 2.9Å; V471-L475 HydrophobicContact CG1-CD1 4.34Å; V471-L475 WeakPolarHBondContact O-CG 3.49Å; V471-L475 PolarHBondContact O-N 2.75Å
472	A	96.4	Very high	95.1	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-60.7	-42.9	178.2	0	0	0	0	0	112.6	C468 I469 S474 L475 L476 I500 I504 Y507 L711	C468-A472 WeakPolarHBondContact O-CB 3.48Å; C468-A472 PolarHBondContact O-N 3.26Å; I469-A472 PolarHBondContact O-N 2.97Å; A472-S474 VanDerWaalsContact C-N 3.34Å; A472-S474 PolarHBondContact O-N 2.97Å; A472-L475 PolarHBondContact O-N 2.79Å; A472-L476 PolarHBondContact O-N 2.81Å; A472-I500 HydrophobicContact CB-CG2 4.2Å; A472-I500 VanDerWaalsContact O-CG2 3.31Å; A472-I500 WeakPolarHBondContact O-CG2 3.36Å; A472-I504 HydrophobicContact CB-CD1 4.36Å; A472-I504 HydrophobicContact CB-CG1 3.81Å; A472-Y507 HydrophobicContact CB-CE2 4.39Å; A472-L711 HydrophobicContact CB-CD1 4.07Å
473	I	96.4	Very high	94.8	Very high	78 Å²	78	61.3 Å²	61.3	40%	0.4	33%	0.325	S	S	.	.	H	α-helix	trans	-62.2	-42.1	175.1	-67.8	167.9	0	0	0	110.5	I469 L470 V471 L475 L476 V477 I504	I469-I473 HydrophobicContact CG2-CD1 3.77Å; I469-I473 HydrophobicContact CG2-CG1 4.34Å; I469-I473 VanDerWaalsContact O-CG1 3.32Å; I469-I473 WeakPolarHBondContact O-CG1 3.49Å; I469-I473 PolarHBondContact O-N 3.22Å; L470-I473 PolarHBondContact O-N 3.34Å; V471-I473 PolarHBondContact O-N 3.09Å; I473-L475 VanDerWaalsContact C-N 3.34Å; I473-L475 PolarHBondContact O-N 3.07Å; I473-L476 WeakPolarHBondContact O-CB 3.48Å; I473-L476 PolarHBondContact O-N 2.83Å; I473-L476 VanDerWaalsContact O-N 3.15Å; I473-V477 WeakPolarHBondContact O-CG2 3.38Å; I473-V477 PolarHBondContact O-N 3.04Å; I473-I504 HydrophobicContact CG1-CD1 4.09Å
474	S	95	Very high	94.2	Very high	60 Å²	60	63.4 Å²	63.4	42%	0.42	33%	0.33	S	S	.	.	H	α-helix	trans	-61.1	-42.3	176.3	79.4	0	0	0	0	112.1	L470 V471 A472 L476 V477 V478	L470-S474 PolarHBondContact O-N 2.73Å; V471-S474 PolarHBondContact O-N 2.82Å; V471-S474 PolarHBondContact O-OG 2.9Å; A472-S474 VanDerWaalsContact C-N 3.34Å; A472-S474 PolarHBondContact O-N 2.97Å; S474-L476 VanDerWaalsContact C-N 3.31Å; S474-L476 PolarHBondContact O-N 2.89Å; S474-V477 PolarHBondContact O-N 2.88Å; S474-V478 VanDerWaalsContact O-CG2 3.31Å; S474-V478 WeakPolarHBondContact O-CG2 3.41Å; S474-V478 PolarHBondContact O-N 3.28Å
475	L	94.5	Very high	93.6	Very high	23 Å²	23	63 Å²	63	12%	0.12	33%	0.326	C	S	.	.	H	α-helix	trans	-63.8	-36.7	175.1	-66.5	177.4	0	0	0	111.8	V471 A472 I473 N479 I500 L711 F715 I719	V471-L475 HydrophobicContact CG1-CD1 4.34Å; V471-L475 WeakPolarHBondContact O-CG 3.49Å; V471-L475 PolarHBondContact O-N 2.75Å; A472-L475 PolarHBondContact O-N 2.79Å; I473-L475 VanDerWaalsContact C-N 3.34Å; I473-L475 PolarHBondContact O-N 3.07Å; L475-N479 VanDerWaalsContact O-CB 3.28Å; L475-N479 WeakPolarHBondContact O-CB 3.44Å; L475-N479 PolarHBondContact O-N 3.37Å; L475-I500 HydrophobicContact CB-CD1 4.22Å; L475-L711 HydrophobicContact CD1-CB 4.36Å; L475-F715 HydrophobicContact CD1-CB 4.22Å; L475-F715 HydrophobicContact CD1-CD2 4.39Å; L475-F715 HydrophobicContact CD1-CG 4.39Å; L475-F715 HydrophobicContact CD2-CB 4.14Å; L475-I719 HydrophobicContact CD2-CD1 3.39Å
476	L	95	Very high	92.5	Very high	29 Å²	29	67.6 Å²	67.6	15%	0.152	35%	0.346	C	S	.	.	H	α-helix	trans	-63.8	-48	175.5	-172.9	62.4	0	0	0	111.2	A472 I473 S474 V478 N479 I480 N497 I500 L501	A472-L476 PolarHBondContact O-N 2.81Å; I473-L476 WeakPolarHBondContact O-CB 3.48Å; I473-L476 PolarHBondContact O-N 2.83Å; I473-L476 VanDerWaalsContact O-N 3.15Å; S474-L476 VanDerWaalsContact C-N 3.31Å; S474-L476 PolarHBondContact O-N 2.89Å; L476-V478 PolarHBondContact O-N 3.12Å; L476-N479 PolarHBondContact O-N 3.47Å; L476-I480 HydrophobicContact CD1-CD1 4.14Å; L476-I480 HydrophobicContact CG-CD1 3.93Å; L476-I480 VanDerWaalsContact O-CG1 3.28Å; L476-I480 WeakPolarHBondContact O-CG1 3.26Å; L476-I480 PolarHBondContact O-N 3.47Å; L476-N497 HydrophobicContact CD1-CB 3.96Å; L476-N497 WeakPolarHBondContact CD1-OD1 3.36Å; L476-I500 HydrophobicContact CB-CD1 4.24Å; L476-I500 HydrophobicContact CB-CG2 3.91Å; L476-I500 HydrophobicContact CD1-CB 4.27Å; L476-I500 HydrophobicContact CD1-CD1 4.16Å; L476-I500 HydrophobicContact CD1-CG2 4.32Å; L476-L501 HydrophobicContact CD2-CD2 4.3Å
477	V	95	Very high	91.6	Very high	89 Å²	89	67 Å²	67	54%	0.539	34%	0.336	S	S	.	.	H	α-helix	trans	-60.2	-46.3	177.7	173.2	0	0	0	0	110.8	I473 S474 N479 I480 Y481	I473-V477 WeakPolarHBondContact O-CG2 3.38Å; I473-V477 PolarHBondContact O-N 3.04Å; S474-V477 PolarHBondContact O-N 2.88Å; V477-N479 PolarHBondContact O-N 3.01Å; V477-I480 PolarHBondContact O-N 3.34Å; V477-Y481 VanDerWaalsContact O-CB 3.3Å; V477-Y481 WeakPolarHBondContact O-CB 3.33Å; V477-Y481 PolarHBondContact O-N 3.22Å
478	V	92.4	Very high	91	Very high	49 Å²	49	62.1 Å²	62.1	30%	0.297	31%	0.311	S	S	.	.	H	α-helix	trans	-60.4	-45.5	176.8	171	0	0	0	0	111.2	S474 L476 I480 Y481 F482	S474-V478 VanDerWaalsContact O-CG2 3.31Å; S474-V478 WeakPolarHBondContact O-CG2 3.41Å; S474-V478 PolarHBondContact O-N 3.28Å; L476-V478 PolarHBondContact O-N 3.12Å; V478-I480 VanDerWaalsContact C-N 3.34Å; V478-I480 PolarHBondContact O-N 2.84Å; V478-Y481 PolarHBondContact O-N 3.43Å; V478-F482 HydrophobicContact CG1-CD2 3.91Å; V478-F482 HydrophobicContact CG1-CE2 4.33Å; V478-F482 WeakPolarHBondContact O-CD2 3.35Å; V478-F482 PolarHBondContact O-N 3.5Å
479	N	92.1	Very high	90.4	Very high	4 Å²	4	68 Å²	68	2%	0.021	34%	0.335	C	S	.	.	H	α-helix	trans	-65.7	-36	-179.7	-171.5	42.9	0	0	0	112.5	L475 L476 V477 R483 I488 P493 N496 N497 F715	L475-N479 VanDerWaalsContact O-CB 3.28Å; L475-N479 WeakPolarHBondContact O-CB 3.44Å; L475-N479 PolarHBondContact O-N 3.37Å; L476-N479 PolarHBondContact O-N 3.47Å; V477-N479 PolarHBondContact O-N 3.01Å; N479-R483 PolarHBondContact O-N 3.23Å; N479-I488 WeakPolarHBondContact OD1-CG2 3.32Å; N479-P493 PolarHBondContact ND2-O 3.05Å; N479-N496 VanDerWaalsContact ND2-CB 3.28Å; N479-N496 WeakPolarHBondContact ND2-CB 3.46Å; N479-N497 PolarHBondContact ND2-OD1 2.86Å; N479-F715 HydrophobicContact CB-CE1 4.46Å
480	I	93.2	Very high	89.5	Confident	78 Å²	78	69.3 Å²	69.3	40%	0.4	34%	0.341	S	S	.	.	H	α-helix	trans	-71.3	-46.6	175.8	-68.2	169	0	0	0	110.9	L476 V477 V478 R483	L476-I480 HydrophobicContact CD1-CD1 4.14Å; L476-I480 HydrophobicContact CG-CD1 3.93Å; L476-I480 VanDerWaalsContact O-CG1 3.28Å; L476-I480 WeakPolarHBondContact O-CG1 3.26Å; L476-I480 PolarHBondContact O-N 3.47Å; V477-I480 PolarHBondContact O-N 3.34Å; V478-I480 VanDerWaalsContact C-N 3.34Å; V478-I480 PolarHBondContact O-N 2.84Å; I480-R483 VanDerWaalsContact O-CB 3.31Å; I480-R483 WeakPolarHBondContact O-CB 3.5Å; I480-R483 WeakPolarHBondContact O-CD 3.16Å; I480-R483 VanDerWaalsContact O-CG 3.26Å; I480-R483 WeakPolarHBondContact O-CG 3.38Å; I480-R483 PolarHBondContact O-N 3.25Å
481	Y	93.2	Very high	88.8	Confident	167 Å²	167	64.5 Å²	64.5	66%	0.655	32%	0.317	S	S	*	.	H	α-helix	trans	-62.1	-46.8	-178.2	-177.9	-93.6	0	0	0	111.5	V477 V478 R483	V477-Y481 VanDerWaalsContact O-CB 3.3Å; V477-Y481 WeakPolarHBondContact O-CB 3.33Å; V477-Y481 PolarHBondContact O-N 3.22Å; V478-Y481 PolarHBondContact O-N 3.43Å; Y481-R483 VanDerWaalsContact C-N 3.32Å; Y481-R483 PolarHBondContact O-N 2.94Å
482	F	89.6	Confident	88.3	Confident	51 Å²	51	61.1 Å²	61.1	22%	0.224	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	18.5	-180	-66.5	-76	0	0	0	114	V478 N484 H485 I488 L722	V478-F482 HydrophobicContact CG1-CD2 3.91Å; V478-F482 HydrophobicContact CG1-CE2 4.33Å; V478-F482 WeakPolarHBondContact O-CD2 3.35Å; V478-F482 PolarHBondContact O-N 3.5Å; F482-N484 PolarHBondContact O-N 3Å; F482-H485 HydrophobicContact CB-CB 4.36Å; F482-H485 WeakPolarHBondContact O-CB 3.16Å; F482-H485 PolarHBondContact O-N 3.38Å; F482-I488 HydrophobicContact CB-CD1 3.34Å; F482-I488 HydrophobicContact CG-CD1 4.5Å; F482-L722 HydrophobicContact CB-CD2 4.28Å; F482-L722 HydrophobicContact CD1-CD2 4.34Å; F482-L722 HydrophobicContact CD2-CD1 4.49Å; F482-L722 HydrophobicContact CG-CD2 4.29Å
483	R	88.8	Confident	87.9	Confident	119 Å²	119	61.7 Å²	61.7	45%	0.449	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-29.5	-176.7	71.2	-176.8	-177.2	178.3	-1.8	114.8	N479 I480 Y481 P493	N479-R483 PolarHBondContact O-N 3.23Å; I480-R483 VanDerWaalsContact O-CB 3.31Å; I480-R483 WeakPolarHBondContact O-CB 3.5Å; I480-R483 WeakPolarHBondContact O-CD 3.16Å; I480-R483 VanDerWaalsContact O-CG 3.26Å; I480-R483 WeakPolarHBondContact O-CG 3.38Å; I480-R483 PolarHBondContact O-N 3.25Å; Y481-R483 VanDerWaalsContact C-N 3.32Å; Y481-R483 PolarHBondContact O-N 2.94Å; R483-P493 HydrophobicContact CB-CB 4.24Å; R483-P493 HydrophobicContact CB-CG 4.45Å
484	N	84.3	Confident	87.6	Confident	124 Å²	124	63.8 Å²	63.8	66%	0.663	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-14	-179.4	-70.8	-24.7	0	0	0	112.7	F482	F482-N484 PolarHBondContact O-N 3Å
485	H	83.3	Confident	87.5	Confident	56 Å²	56	61.1 Å²	61.1	26%	0.259	29%	0.285	S	S	.	.	S	Bend	trans	-65.2	135.5	177.4	-163.6	-101.9	0	0	0	110.3	F482 F487 I488 K489 L722	F482-H485 HydrophobicContact CB-CB 4.36Å; F482-H485 WeakPolarHBondContact O-CB 3.16Å; F482-H485 PolarHBondContact O-N 3.38Å; H485-F487 VanDerWaalsContact C-N 3.29Å; H485-F487 AromaticContact CE1-CD2 3.58Å; H485-F487 AromaticContact ND1-CD2 3.78Å; H485-F487 PolarHBondContact O-N 3.46Å; H485-F487 VanDerWaalsContact O-N 3.14Å; H485-I488 PolarHBondContact O-N 2.51Å; H485-I488 VanDerWaalsContact O-N 3.14Å; H485-K489 WeakPolarHBondContact O-CB 3.37Å; H485-K489 PolarHBondContact O-N 3.27Å; H485-L722 HydrophobicContact CB-CD2 4.14Å; H485-L722 WeakPolarHBondContact ND1-CD2 3.1Å
486	K	74.2	Confident	87.4	Confident	97 Å²	97	60 Å²	60	42%	0.422	28%	0.28	S	S	.	.	H	α-helix	trans	-53.8	-42.6	-168.6	-166.5	-177.6	177.7	-176.4	0	112.8	M490	K486-M490 HydrophobicContact CG-CE 4.02Å; K486-M490 HydrophobicContact CG-SD 4.33Å; K486-M490 WeakPolarHBondContact O-CB 3.41Å; K486-M490 WeakPolarHBondContact O-CE 3.33Å; K486-M490 VanDerWaalsContact O-CG 3.24Å; K486-M490 WeakPolarHBondContact O-CG 3.37Å; K486-M490 PolarHBondContact O-N 2.87Å
487	F	77.4	Confident	87.3	Confident	46 Å²	46	60 Å²	60	20%	0.202	28%	0.28	C	S	.	.	H	α-helix	trans	-65.7	-46.7	179.6	-69.2	-77.5	0	0	0	113.6	H485 M490 S491 E721 Y733	H485-F487 VanDerWaalsContact C-N 3.29Å; H485-F487 AromaticContact CE1-CD2 3.58Å; H485-F487 AromaticContact ND1-CD2 3.78Å; H485-F487 PolarHBondContact O-N 3.46Å; H485-F487 VanDerWaalsContact O-N 3.14Å; F487-M490 HydrophobicContact CD1-CE 4.12Å; F487-M490 PolarHBondContact O-N 3.48Å; F487-S491 PolarHBondContact O-N 2.87Å; F487-E721 HydrophobicContact CD1-CG 4.04Å; F487-E721 HydrophobicContact CD2-CG 3.97Å; F487-E721 HydrophobicContact CE1-CG 3.99Å; F487-E721 HydrophobicContact CE2-CG 3.92Å; F487-E721 HydrophobicContact CG-CG 4.02Å; F487-E721 HydrophobicContact CZ-CG 3.92Å; F487-E721 WeakPolarHBondContact CZ-OE1 3.33Å; F487-Y733 HydrophobicContact CE2-CD2 4.11Å; F487-Y733 AromaticContact CE2-CE2 3.87Å; F487-Y733 HydrophobicContact CE2-CE2 3.87Å; F487-Y733 HydrophobicContact CZ-CD1 4.19Å; F487-Y733 AromaticContact CZ-CD2 3.71Å; F487-Y733 HydrophobicContact CZ-CD2 3.71Å; F487-Y733 HydrophobicContact CZ-CE1 4.03Å; F487-Y733 AromaticContact CZ-CE2 3.52Å; F487-Y733 HydrophobicContact CZ-CE2 3.52Å; F487-Y733 HydrophobicContact CZ-CG 4.04Å; F487-Y733 AromaticContact CZ-CZ 3.69Å
488	I	83.3	Confident	87.3	Confident	4 Å²	4	56.9 Å²	56.9	2%	0.021	26%	0.26	C	S	.	.	H	α-helix	trans	-66.3	-42.9	177.1	-74	169.8	0	0	0	110.3	N479 F482 H485 M490 S491 P493 L722	N479-I488 WeakPolarHBondContact OD1-CG2 3.32Å; F482-I488 HydrophobicContact CB-CD1 3.34Å; F482-I488 HydrophobicContact CG-CD1 4.5Å; H485-I488 PolarHBondContact O-N 2.51Å; H485-I488 VanDerWaalsContact O-N 3.14Å; I488-M490 VanDerWaalsContact C-N 3.3Å; I488-M490 PolarHBondContact O-N 3.1Å; I488-S491 PolarHBondContact O-N 3.49Å; I488-S491 VanDerWaalsContact O-N 3.1Å; I488-P493 HydrophobicContact CG2-CB 3.82Å; I488-L722 HydrophobicContact CD1-CD1 3.57Å; I488-L722 HydrophobicContact CD1-CD2 4.11Å; I488-L722 HydrophobicContact CD1-CG 4.35Å; I488-L722 HydrophobicContact CG1-CD1 4.32Å
489	K	85.2	Confident	87.4	Confident	138 Å²	138	54.6 Å²	54.6	60%	0.6	25%	0.246	S	C	*	.	H	α-helix	trans	-58.5	-40.5	178.2	-170.3	174	-178.8	175.4	0	112.2	H485 S491 S492	H485-K489 WeakPolarHBondContact O-CB 3.37Å; H485-K489 PolarHBondContact O-N 3.27Å; K489-S491 VanDerWaalsContact C-N 3.33Å; K489-S491 PolarHBondContact O-N 3.19Å; K489-S492 PolarHBondContact O-N 3Å
490	M	77.7	Confident	87.6	Confident	56 Å²	56	54.4 Å²	54.4	28%	0.276	25%	0.245	S	C	.	.	H	α-helix	trans	-68.1	-29.8	177.2	-73.3	-176.3	-57.8	0	0	113.1	K486 F487 I488 S492 A660 M737	K486-M490 HydrophobicContact CG-CE 4.02Å; K486-M490 HydrophobicContact CG-SD 4.33Å; K486-M490 WeakPolarHBondContact O-CB 3.41Å; K486-M490 WeakPolarHBondContact O-CE 3.33Å; K486-M490 VanDerWaalsContact O-CG 3.24Å; K486-M490 WeakPolarHBondContact O-CG 3.37Å; K486-M490 PolarHBondContact O-N 2.87Å; F487-M490 HydrophobicContact CD1-CE 4.12Å; F487-M490 PolarHBondContact O-N 3.48Å; I488-M490 VanDerWaalsContact C-N 3.3Å; I488-M490 PolarHBondContact O-N 3.1Å; M490-S492 PolarHBondContact O-N 3.36Å; M490-A660 HydrophobicContact CE-CB 3.88Å; M490-A660 HydrophobicContact SD-CB 3.91Å; M490-M737 HydrophobicContact SD-CE 3.98Å
491	S	81.9	Confident	87.8	Confident	13 Å²	13	54.9 Å²	54.9	9%	0.091	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	6.7	177.9	179.5	0	0	0	0	113.8	F487 I488 K489 N496 K550 D663 K718	F487-S491 PolarHBondContact O-N 2.87Å; I488-S491 PolarHBondContact O-N 3.49Å; I488-S491 VanDerWaalsContact O-N 3.1Å; K489-S491 VanDerWaalsContact C-N 3.33Å; K489-S491 PolarHBondContact O-N 3.19Å; S491-N496 PolarHBondContact OG-ND2 3.28Å; S491-K550 WeakPolarHBondContact O-CE 3.45Å; S491-K550 PolarHBondContact O-NZ 2.99Å; S491-K550 PolarHBondContact OG-NZ 3.37Å; S491-D663 PolarHBondContact OG-OD2 2.96Å; S491-K718 WeakPolarHBondContact OG-CE 3.36Å; S491-K718 PolarHBondContact OG-NZ 2.82Å
492	S	85.2	Confident	87.9	Confident	3 Å²	3	46.9 Å²	46.9	2%	0.021	22%	0.216	C	C	.	.			trans	56.1	85.6	-171.9	-75	0	0	0	0	112.4	K489 M490 Y494 V495 N496 R553 D570	K489-S492 PolarHBondContact O-N 3Å; M490-S492 PolarHBondContact O-N 3.36Å; S492-Y494 PolarHBondContact O-N 2.98Å; S492-Y494 VanDerWaalsContact O-N 3.17Å; S492-V495 PolarHBondContact O-N 2.87Å; S492-V495 VanDerWaalsContact O-N 3.1Å; S492-N496 PolarHBondContact O-N 3.26Å; S492-R553 PolarHBondContact OG-NH1 2.85Å; S492-D570 PolarHBondContact OG-OD1 3.3Å
493	P	87.9	Confident	88.2	Confident	12 Å²	12	44.5 Å²	44.5	8%	0.078	21%	0.206	C	C	.	.	H	α-helix	trans	-58.5	-34.1	-173.9	20.3	-30.5	0	0	0	113.1	N479 R483 I488 V495 N496 N497	N479-P493 PolarHBondContact ND2-O 3.05Å; R483-P493 HydrophobicContact CB-CB 4.24Å; R483-P493 HydrophobicContact CB-CG 4.45Å; I488-P493 HydrophobicContact CG2-CB 3.82Å; P493-V495 PolarHBondContact O-N 3.04Å; P493-N496 WeakPolarHBondContact O-CB 3.39Å; P493-N496 PolarHBondContact O-N 2.78Å; P493-N497 PolarHBondContact O-N 2.83Å; P493-N497 PolarHBondContact O-OD1 3.23Å
494	Y	91.2	Very high	88.6	Confident	122 Å²	122	40.2 Å²	40.2	48%	0.478	19%	0.192	S	C	.	.	H	α-helix	trans	-65.8	-36.9	179.2	-63.7	-69.5	0	0	0	113.2	S492 N497 L498	S492-Y494 PolarHBondContact O-N 2.98Å; S492-Y494 VanDerWaalsContact O-N 3.17Å; Y494-N497 WeakPolarHBondContact O-CB 3.43Å; Y494-N497 PolarHBondContact O-N 2.81Å; Y494-L498 PolarHBondContact O-N 2.93Å
495	V	91.6	Very high	89.2	Confident	4 Å²	4	36.5 Å²	36.5	2%	0.024	17%	0.173	C	C	.	.	H	α-helix	trans	-74	-35.8	176.2	-177.8	0	0	0	0	110.6	S492 P493 N497 L498 I499 K550 L573 F574	S492-V495 PolarHBondContact O-N 2.87Å; S492-V495 VanDerWaalsContact O-N 3.1Å; P493-V495 PolarHBondContact O-N 3.04Å; V495-N497 VanDerWaalsContact C-N 3.31Å; V495-N497 PolarHBondContact O-N 2.85Å; V495-L498 PolarHBondContact O-N 2.92Å; V495-L498 VanDerWaalsContact O-N 3.15Å; V495-I499 PolarHBondContact O-N 2.81Å; V495-K550 HydrophobicContact CG1-CD 4.19Å; V495-K550 HydrophobicContact CG1-CG 3.84Å; V495-L573 HydrophobicContact CG2-CB 4.16Å; V495-L573 HydrophobicContact CG2-CD2 3.91Å; V495-F574 HydrophobicContact CG2-CE2 4.46Å
496	N	92.2	Very high	89.9	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.2	-39.8	170.7	-77.3	-32.1	0	0	0	112.1	N479 S491 S492 P493 L498 I499 I500 K550 F715 K718	N479-N496 VanDerWaalsContact ND2-CB 3.28Å; N479-N496 WeakPolarHBondContact ND2-CB 3.46Å; S491-N496 PolarHBondContact OG-ND2 3.28Å; S492-N496 PolarHBondContact O-N 3.26Å; P493-N496 WeakPolarHBondContact O-CB 3.39Å; P493-N496 PolarHBondContact O-N 2.78Å; N496-L498 VanDerWaalsContact C-N 3.27Å; N496-L498 PolarHBondContact O-N 3.32Å; N496-I499 WeakPolarHBondContact O-CB 3.29Å; N496-I499 PolarHBondContact O-N 2.86Å; N496-I500 WeakPolarHBondContact O-CG1 3.29Å; N496-I500 PolarHBondContact O-N 2.82Å; N496-I500 VanDerWaalsContact O-N 3.15Å; N496-K550 VanDerWaalsContact CG-NZ 3.34Å; N496-K550 WeakPolarHBondContact OD1-CE 3.04Å; N496-K550 PolarHBondContact OD1-NZ 3.15Å; N496-F715 HydrophobicContact CB-CE1 3.97Å; N496-F715 HydrophobicContact CB-CZ 3.89Å; N496-K718 PolarHBondContact OD1-NZ 3.07Å
497	N	94.3	Very high	91	Very high	28 Å²	28	29.7 Å²	29.7	15%	0.15	14%	0.144	C	C	.	.	H	α-helix	trans	-60.6	-39.6	174.3	-70	-15	0	0	0	111.3	L476 N479 P493 Y494 V495 I500 L501	L476-N497 HydrophobicContact CD1-CB 3.96Å; L476-N497 WeakPolarHBondContact CD1-OD1 3.36Å; N479-N497 PolarHBondContact ND2-OD1 2.86Å; P493-N497 PolarHBondContact O-N 2.83Å; P493-N497 PolarHBondContact O-OD1 3.23Å; Y494-N497 WeakPolarHBondContact O-CB 3.43Å; Y494-N497 PolarHBondContact O-N 2.81Å; V495-N497 VanDerWaalsContact C-N 3.31Å; V495-N497 PolarHBondContact O-N 2.85Å; N497-I500 PolarHBondContact O-N 2.83Å; N497-L501 VanDerWaalsContact O-CG 3.32Å; N497-L501 WeakPolarHBondContact O-CG 3.38Å; N497-L501 PolarHBondContact O-N 3.31Å
498	L	94.1	Very high	91.9	Very high	24 Å²	24	29.9 Å²	29.9	13%	0.126	15%	0.15	C	C	.	.	H	α-helix	trans	-67.8	-35.4	179.1	-157.8	147.4	0	0	0	112.3	Y494 V495 N496 L501 G502 L542 S546 F574 V577	Y494-L498 PolarHBondContact O-N 2.93Å; V495-L498 PolarHBondContact O-N 2.92Å; V495-L498 VanDerWaalsContact O-N 3.15Å; N496-L498 VanDerWaalsContact C-N 3.27Å; N496-L498 PolarHBondContact O-N 3.32Å; L498-L501 PolarHBondContact O-N 3.02Å; L498-G502 PolarHBondContact O-N 3.23Å; L498-L542 HydrophobicContact CD1-CD2 4.44Å; L498-L542 HydrophobicContact CD2-CB 3.83Å; L498-L542 HydrophobicContact CD2-CD2 3.6Å; L498-L542 HydrophobicContact CD2-CG 4.33Å; L498-L542 WeakPolarHBondContact CD2-O 3.46Å; L498-L542 HydrophobicContact CG-CD2 4.1Å; L498-S546 WeakPolarHBondContact CD2-OG 3.46Å; L498-F574 HydrophobicContact CD1-CD1 3.93Å; L498-F574 HydrophobicContact CD1-CE1 3.55Å; L498-V577 HydrophobicContact CD1-CG1 4.45Å; L498-V577 HydrophobicContact CD2-CG1 3.92Å
499	I	94.6	Very high	92.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58.5	-47.1	170.2	-67	171.4	0	0	0	111	V495 N496 G502 S503 T543 M547 K550 L711 V714 F715	V495-I499 PolarHBondContact O-N 2.81Å; N496-I499 WeakPolarHBondContact O-CB 3.29Å; N496-I499 PolarHBondContact O-N 2.86Å; I499-G502 PolarHBondContact O-N 2.86Å; I499-S503 WeakPolarHBondContact O-CB 3.36Å; I499-S503 PolarHBondContact O-N 3.2Å; I499-S503 PolarHBondContact O-OG 3.34Å; I499-T543 HydrophobicContact CG2-CG2 4.43Å; I499-M547 HydrophobicContact CD1-CE 4.29Å; I499-M547 HydrophobicContact CD1-CG 4.05Å; I499-M547 HydrophobicContact CG1-CE 4.31Å; I499-M547 HydrophobicContact CG1-CG 4.47Å; I499-M547 HydrophobicContact CG2-CE 3.61Å; I499-K550 HydrophobicContact CD1-CD 4.42Å; I499-L711 HydrophobicContact CG2-CD2 4.41Å; I499-V714 HydrophobicContact CD1-CG1 4.4Å; I499-F715 HydrophobicContact CG2-CE2 4.29Å
500	I	96.3	Very high	93	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-68.1	-43.8	-178.5	-63.5	163.3	0	0	0	111	A472 L475 L476 N496 N497 G502 S503 I504 L711 F715	A472-I500 HydrophobicContact CB-CG2 4.2Å; A472-I500 VanDerWaalsContact O-CG2 3.31Å; A472-I500 WeakPolarHBondContact O-CG2 3.36Å; L475-I500 HydrophobicContact CB-CD1 4.22Å; L476-I500 HydrophobicContact CB-CD1 4.24Å; L476-I500 HydrophobicContact CB-CG2 3.91Å; L476-I500 HydrophobicContact CD1-CB 4.27Å; L476-I500 HydrophobicContact CD1-CD1 4.16Å; L476-I500 HydrophobicContact CD1-CG2 4.32Å; N496-I500 WeakPolarHBondContact O-CG1 3.29Å; N496-I500 PolarHBondContact O-N 2.82Å; N496-I500 VanDerWaalsContact O-N 3.15Å; N497-I500 PolarHBondContact O-N 2.83Å; I500-G502 VanDerWaalsContact C-N 3.33Å; I500-G502 PolarHBondContact O-N 3.37Å; I500-S503 WeakPolarHBondContact O-CB 3.48Å; I500-S503 PolarHBondContact O-N 2.95Å; I500-S503 VanDerWaalsContact O-N 3.1Å; I500-I504 HydrophobicContact CG2-CD1 4.07Å; I500-I504 HydrophobicContact CG2-CG1 4.47Å; I500-I504 WeakPolarHBondContact O-CG1 3.05Å; I500-I504 PolarHBondContact O-N 3.47Å; I500-L711 HydrophobicContact CG1-CD2 4.08Å; I500-F715 HydrophobicContact CD1-CD1 4.47Å; I500-F715 HydrophobicContact CD1-CE1 3.64Å; I500-F715 HydrophobicContact CD1-CE2 3.9Å; I500-F715 HydrophobicContact CD1-CZ 3.32Å; I500-F715 HydrophobicContact CG1-CD2 4.46Å; I500-F715 HydrophobicContact CG1-CE1 4.22Å; I500-F715 HydrophobicContact CG1-CE2 3.53Å; I500-F715 HydrophobicContact CG1-CZ 3.39Å
501	L	96.4	Very high	93.8	Very high	88 Å²	88	23 Å²	23	46%	0.461	12%	0.12	S	C	.	.	H	α-helix	trans	-60.1	-44.3	175.9	-71.4	172.9	0	0	0	111.3	L476 N497 L498 S503 I504 V505	L476-L501 HydrophobicContact CD2-CD2 4.3Å; N497-L501 VanDerWaalsContact O-CG 3.32Å; N497-L501 WeakPolarHBondContact O-CG 3.38Å; N497-L501 PolarHBondContact O-N 3.31Å; L498-L501 PolarHBondContact O-N 3.02Å; L501-S503 VanDerWaalsContact C-N 3.29Å; L501-S503 PolarHBondContact O-N 3.26Å; L501-I504 PolarHBondContact O-N 3.05Å; L501-V505 WeakPolarHBondContact O-CG2 3.43Å; L501-V505 PolarHBondContact O-N 3.48Å
502	G	96.2	Very high	94.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-58	-42.3	172.7	0	0	0	0	0	112.3	L498 I499 I500 V505 T506 G539 T543	L498-G502 PolarHBondContact O-N 3.23Å; I499-G502 PolarHBondContact O-N 2.86Å; I500-G502 VanDerWaalsContact C-N 3.33Å; I500-G502 PolarHBondContact O-N 3.37Å; G502-V505 PolarHBondContact O-N 3.27Å; G502-T506 WeakPolarHBondContact O-CG2 3.45Å; G502-T506 PolarHBondContact O-N 3.46Å; G502-T506 PolarHBondContact O-OG1 2.82Å; G502-G539 WeakPolarHBondContact O-CA 3.45Å; G502-T543 WeakPolarHBondContact CA-OG1 3.21Å
503	S	96.3	Very high	94.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.7	-41.3	178.3	-56.6	0	0	0	0	112.1	I499 I500 L501 V505 T506 Y507 T543	I499-S503 WeakPolarHBondContact O-CB 3.36Å; I499-S503 PolarHBondContact O-N 3.2Å; I499-S503 PolarHBondContact O-OG 3.34Å; I500-S503 WeakPolarHBondContact O-CB 3.48Å; I500-S503 PolarHBondContact O-N 2.95Å; I500-S503 VanDerWaalsContact O-N 3.1Å; L501-S503 VanDerWaalsContact C-N 3.29Å; L501-S503 PolarHBondContact O-N 3.26Å; S503-V505 VanDerWaalsContact C-N 3.34Å; S503-V505 PolarHBondContact O-N 3.24Å; S503-T506 VanDerWaalsContact C-OG1 3.31Å; S503-T506 VanDerWaalsContact CA-OG1 3.3Å; S503-T506 WeakPolarHBondContact CA-OG1 3.46Å; S503-T506 PolarHBondContact O-N 2.82Å; S503-T506 PolarHBondContact O-OG1 3.1Å; S503-Y507 WeakPolarHBondContact O-CD2 3.34Å; S503-Y507 PolarHBondContact O-N 3.43Å; S503-T543 PolarHBondContact N-OG1 2.82Å
504	I	97.3	Very high	95	Very high	30 Å²	30	26.4 Å²	26.4	15%	0.154	14%	0.137	C	C	.	.	H	α-helix	trans	-60.6	-44.7	174.2	-66.9	166.6	0	0	0	110.5	A472 I473 I500 L501 T506 Y507 C508	A472-I504 HydrophobicContact CB-CD1 4.36Å; A472-I504 HydrophobicContact CB-CG1 3.81Å; I473-I504 HydrophobicContact CG1-CD1 4.09Å; I500-I504 HydrophobicContact CG2-CD1 4.07Å; I500-I504 HydrophobicContact CG2-CG1 4.47Å; I500-I504 WeakPolarHBondContact O-CG1 3.05Å; I500-I504 PolarHBondContact O-N 3.47Å; L501-I504 PolarHBondContact O-N 3.05Å; I504-T506 VanDerWaalsContact C-N 3.35Å; I504-T506 PolarHBondContact O-N 2.98Å; I504-Y507 WeakPolarHBondContact O-CB 3.26Å; I504-Y507 PolarHBondContact O-N 3.04Å; I504-C508 PolarHBondContact O-N 3.04Å; I504-C508 PolarHBondContact O-SG 2.94Å; I504-C508 VanDerWaalsContact O-SG 3.37Å
505	V	97.1	Very high	95.1	Very high	45 Å²	45	21.4 Å²	21.4	27%	0.273	12%	0.119	S	C	.	.	H	α-helix	trans	-61.9	-42.3	176.4	175.3	0	0	0	0	111	L501 G502 S503 Y507 C508 S509 T535	L501-V505 WeakPolarHBondContact O-CG2 3.43Å; L501-V505 PolarHBondContact O-N 3.48Å; G502-V505 PolarHBondContact O-N 3.27Å; S503-V505 VanDerWaalsContact C-N 3.34Å; S503-V505 PolarHBondContact O-N 3.24Å; V505-Y507 VanDerWaalsContact C-N 3.33Å; V505-Y507 PolarHBondContact O-N 2.89Å; V505-C508 PolarHBondContact O-N 3.03Å; V505-S509 PolarHBondContact O-N 3.09Å; V505-S509 VanDerWaalsContact O-N 3.14Å; V505-T535 HydrophobicContact CG1-CG2 3.75Å; V505-T535 VanDerWaalsContact CG1-O 3.29Å; V505-T535 WeakPolarHBondContact CG1-O 3.49Å; V505-T535 VanDerWaalsContact O-CG2 3.28Å; V505-T535 WeakPolarHBondContact O-CG2 3.28Å
506	T	96.6	Very high	95.1	Very high	8 Å²	8	21.7 Å²	21.7	5%	0.049	12%	0.12	C	C	.	.	H	α-helix	trans	-63.1	-37.1	174.7	55.8	0	0	0	0	112.9	G502 S503 I504 S509 T707	G502-T506 WeakPolarHBondContact O-CG2 3.45Å; G502-T506 PolarHBondContact O-N 3.46Å; G502-T506 PolarHBondContact O-OG1 2.82Å; S503-T506 VanDerWaalsContact C-OG1 3.31Å; S503-T506 VanDerWaalsContact CA-OG1 3.3Å; S503-T506 WeakPolarHBondContact CA-OG1 3.46Å; S503-T506 PolarHBondContact O-N 2.82Å; S503-T506 PolarHBondContact O-OG1 3.1Å; I504-T506 VanDerWaalsContact C-N 3.35Å; I504-T506 PolarHBondContact O-N 2.98Å; T506-S509 WeakPolarHBondContact O-CB 3.47Å; T506-S509 PolarHBondContact O-N 2.99Å; T506-S509 PolarHBondContact O-OG 2.96Å; T506-T707 HydrophobicContact CG2-CG2 4.4Å; T506-T707 WeakPolarHBondContact OG1-CG2 3.43Å
507	Y	97.4	Very high	95.1	Very high	3 Å²	3	22.7 Å²	22.7	1%	0.012	13%	0.126	C	C	.	.	H	α-helix	trans	-64.8	-43.8	174.9	-73.9	-48	0	0	0	111.9	V465 C468 I469 A472 S503 I504 V505 S509 V510 T707 T708 L711	V465-Y507 WeakPolarHBondContact CG1-O 3.48Å; C468-Y507 HydrophobicContact CB-CD1 3.94Å; C468-Y507 HydrophobicContact CB-CD2 4.23Å; C468-Y507 HydrophobicContact CB-CE1 3.55Å; C468-Y507 HydrophobicContact CB-CE2 3.89Å; C468-Y507 HydrophobicContact CB-CG 4.29Å; I469-Y507 HydrophobicContact CG1-CD2 4.08Å; I469-Y507 HydrophobicContact CG1-CG 4.11Å; A472-Y507 HydrophobicContact CB-CE2 4.39Å; S503-Y507 WeakPolarHBondContact O-CD2 3.34Å; S503-Y507 PolarHBondContact O-N 3.43Å; I504-Y507 WeakPolarHBondContact O-CB 3.26Å; I504-Y507 PolarHBondContact O-N 3.04Å; V505-Y507 VanDerWaalsContact C-N 3.33Å; V505-Y507 PolarHBondContact O-N 2.89Å; Y507-S509 PolarHBondContact O-N 3.06Å; Y507-V510 WeakPolarHBondContact O-CB 3.12Å; Y507-V510 PolarHBondContact O-N 2.79Å; Y507-V510 VanDerWaalsContact O-N 3.09Å; Y507-T707 WeakPolarHBondContact CE1-OG1 3.47Å; Y507-T707 VanDerWaalsContact CZ-OG1 3.25Å; Y507-T707 PolarHBondContact OH-OG1 2.86Å; Y507-T708 WeakPolarHBondContact OH-CA 3.38Å; Y507-T708 PolarHBondContact OH-N 2.92Å; Y507-T708 PolarHBondContact OH-OG1 3.37Å; Y507-L711 HydrophobicContact CE2-CD1 4.05Å
508	C	96.5	Very high	94.8	Very high	49 Å²	49	26.7 Å²	26.7	33%	0.331	14%	0.139	S	C	.	.	H	α-helix	trans	-58.9	-31.7	174.8	-67.2	0	0	0	0	112.7	I504 V505 V510 I511 L512 T535	I504-C508 PolarHBondContact O-N 3.04Å; I504-C508 PolarHBondContact O-SG 2.94Å; I504-C508 VanDerWaalsContact O-SG 3.37Å; V505-C508 PolarHBondContact O-N 3.03Å; C508-V510 VanDerWaalsContact C-N 3.25Å; C508-V510 PolarHBondContact O-N 3.4Å; C508-I511 PolarHBondContact O-N 2.91Å; C508-L512 PolarHBondContact O-N 2.8Å; C508-L512 VanDerWaalsContact O-N 3.12Å; C508-T535 HydrophobicContact CB-CG2 4.31Å
509	S	96.1	Very high	94.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.1	-32.9	176.9	80.9	0	0	0	0	113	V505 T506 Y507 I511 L512 L513	V505-S509 PolarHBondContact O-N 3.09Å; V505-S509 VanDerWaalsContact O-N 3.14Å; T506-S509 WeakPolarHBondContact O-CB 3.47Å; T506-S509 PolarHBondContact O-N 2.99Å; T506-S509 PolarHBondContact O-OG 2.96Å; Y507-S509 PolarHBondContact O-N 3.06Å; S509-I511 PolarHBondContact O-N 3.07Å; S509-L512 PolarHBondContact O-N 2.76Å; S509-L513 VanDerWaalsContact O-CG 3.29Å; S509-L513 WeakPolarHBondContact O-CG 3.43Å; S509-L513 PolarHBondContact O-N 3.2Å
510	V	96.1	Very high	94.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-66.5	-38.1	178.5	179.6	0	0	0	0	111.7	V465 Y507 C508 Y696 S700 I703 I704	V465-V510 HydrophobicContact CG2-CB 3.87Å; V465-V510 HydrophobicContact CG2-CG1 3.68Å; Y507-V510 WeakPolarHBondContact O-CB 3.12Å; Y507-V510 PolarHBondContact O-N 2.79Å; Y507-V510 VanDerWaalsContact O-N 3.09Å; C508-V510 VanDerWaalsContact C-N 3.25Å; C508-V510 PolarHBondContact O-N 3.4Å; V510-Y696 PolarHBondContact O-OH 2.83Å; V510-S700 WeakPolarHBondContact CG1-OG 3.31Å; V510-I703 HydrophobicContact CG2-CB 3.92Å; V510-I703 HydrophobicContact CG2-CD1 4.2Å; V510-I703 HydrophobicContact CG2-CG2 3.56Å; V510-I704 HydrophobicContact CG1-CD1 4.42Å; V510-I704 HydrophobicContact CG2-CG1 4.42Å
511	I	95.6	Very high	94.2	Very high	53 Å²	53	34.7 Å²	34.7	27%	0.272	19%	0.187	S	C	.	.	H	α-helix	trans	-65.6	-48.9	174.5	-60.5	172.9	0	0	0	109.1	V465 C508 S509 L513 G514 V515	V465-I511 HydrophobicContact CB-CG1 4.45Å; V465-I511 HydrophobicContact CG1-CD1 3.94Å; V465-I511 HydrophobicContact CG1-CG1 3.94Å; C508-I511 PolarHBondContact O-N 2.91Å; S509-I511 PolarHBondContact O-N 3.07Å; I511-L513 VanDerWaalsContact C-N 3.3Å; I511-L513 PolarHBondContact O-N 2.88Å; I511-G514 PolarHBondContact O-N 3.47Å; I511-G514 VanDerWaalsContact O-N 3.14Å; I511-V515 PolarHBondContact O-N 2.84Å
512	L	94.5	Very high	93.7	Very high	45 Å²	45	35 Å²	35	24%	0.236	19%	0.187	C	C	.	.	H	α-helix	trans	-58.1	-41.6	179.2	-71.6	176.3	0	0	0	112	C508 S509 G514 V515 A531 K532 T535	C508-L512 PolarHBondContact O-N 2.8Å; C508-L512 VanDerWaalsContact O-N 3.12Å; S509-L512 PolarHBondContact O-N 2.76Å; L512-G514 PolarHBondContact O-N 3.5Å; L512-V515 WeakPolarHBondContact O-CB 3.32Å; L512-V515 PolarHBondContact O-N 3.44Å; L512-V515 VanDerWaalsContact O-N 3.1Å; L512-A531 HydrophobicContact CD1-CB 4.34Å; L512-K532 HydrophobicContact CB-CG 4.05Å; L512-K532 WeakPolarHBondContact O-CE 3.42Å; L512-T535 HydrophobicContact CD1-CG2 4.11Å; L512-T535 WeakPolarHBondContact CD1-OG1 3.43Å
513	L	93.1	Very high	93.2	Very high	53 Å²	53	42.6 Å²	42.6	28%	0.277	22%	0.222	S	C	.	.	H	α-helix	trans	-55.8	-35.4	178.5	-76.5	173	0	0	0	113	S509 I511 K532 Y696 I699 I703	S509-L513 VanDerWaalsContact O-CG 3.29Å; S509-L513 WeakPolarHBondContact O-CG 3.43Å; S509-L513 PolarHBondContact O-N 3.2Å; I511-L513 VanDerWaalsContact C-N 3.3Å; I511-L513 PolarHBondContact O-N 2.88Å; L513-K532 HydrophobicContact CD2-CB 4.44Å; L513-K532 HydrophobicContact CD2-CG 4.43Å; L513-Y696 HydrophobicContact CB-CD2 4.39Å; L513-Y696 HydrophobicContact CB-CE2 4.07Å; L513-I699 HydrophobicContact CD1-CG2 4.21Å; L513-I703 HydrophobicContact CD1-CD1 4Å
514	G	92.1	Very high	92.9	Very high	3 Å²	3	49.6 Å²	49.6	3%	0.031	25%	0.249	C	C	.	.	H	α-helix	trans	-84.7	-6.9	-179.4	0	0	0	0	0	115.1	I511 L512 D516 Y696	I511-G514 PolarHBondContact O-N 3.47Å; I511-G514 VanDerWaalsContact O-N 3.14Å; L512-G514 PolarHBondContact O-N 3.5Å; G514-D516 PolarHBondContact O-N 3.49Å; G514-Y696 VanDerWaalsContact CA-CE2 3.42Å
515	V	92.8	Very high	92.6	Very high	16 Å²	16	48.4 Å²	48.4	10%	0.097	24%	0.243	C	C	.	.			trans	-71.4	128	176.7	177.9	0	0	0	0	110.1	I511 L512 I519 V520 F525 V528 K532	I511-V515 PolarHBondContact O-N 2.84Å; L512-V515 WeakPolarHBondContact O-CB 3.32Å; L512-V515 PolarHBondContact O-N 3.44Å; L512-V515 VanDerWaalsContact O-N 3.1Å; V515-I519 HydrophobicContact CG1-CB 4.42Å; V515-V520 HydrophobicContact CG1-CB 4.21Å; V515-V520 HydrophobicContact CG1-CG2 3.53Å; V515-F525 WeakPolarHBondContact O-CE2 3.01Å; V515-V528 HydrophobicContact CB-CG1 4.12Å; V515-V528 HydrophobicContact CG1-CG1 4.05Å; V515-K532 PolarHBondContact O-NZ 3.33Å
516	D	92	Very high	92.3	Very high	11 Å²	11	48 Å²	48	6%	0.059	24%	0.242	C	C	.	.			trans	-124.4	-179.1	178.4	65.6	28.1	0	0	0	111.6	Y452 G514 R518 I519 V520	Y452-D516 HydrophobicContact CD1-CB 3.72Å; Y452-D516 VanDerWaalsContact CD1-OD2 3.31Å; Y452-D516 WeakPolarHBondContact CD1-OD2 3.14Å; Y452-D516 HydrophobicContact CE1-CB 4.15Å; G514-D516 PolarHBondContact O-N 3.49Å; D516-R518 PolarHBondContact O-N 2.79Å; D516-R518 WeakPolarHBondContact OD1-CA 3.46Å; D516-R518 WeakPolarHBondContact OD1-CB 3.47Å; D516-R518 PolarHBondContact OD1-N 2.97Å; D516-R518 IonicContact OD1-NE 2.7Å; D516-R518 IonicContact OD2-CZ 2.6Å; D516-R518 VanDerWaalsContact OD2-CZ 3.27Å; D516-R518 IonicContact OD2-NE 3.45Å; D516-R518 PolarHBondContact OD2-NE 3.25Å; D516-R518 IonicContact OD2-NH2 3.6Å; D516-R518 PolarHBondContact OD2-NH2 3.39Å; D516-I519 PolarHBondContact O-N 3.48Å; D516-I519 PolarHBondContact OD1-N 2.79Å; D516-V520 PolarHBondContact O-N 3.04Å
517	T	90.8	Very high	92	Very high	20 Å²	20	52.5 Å²	52.5	12%	0.123	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-6.4	-179.8	64.6	0	0	0	0	115.4	Y452 V520 E522 F525 L599 E621	Y452-T517 PolarHBondContact OH-OG1 3.4Å; T517-V520 CarbonylContact C-O 3.31Å; T517-V520 VanDerWaalsContact C-O 3.29Å; T517-V520 WeakPolarHBondContact CA-O 3.38Å; T517-E522 HydrophobicContact CG2-CG 4.04Å; T517-F525 HydrophobicContact CG2-CB 4.29Å; T517-F525 HydrophobicContact CG2-CD2 4.06Å; T517-F525 HydrophobicContact CG2-CG 4.07Å; T517-L599 HydrophobicContact CG2-CD1 4.44Å; T517-L599 HydrophobicContact CG2-CD2 4.05Å; T517-E621 WeakPolarHBondContact CB-OE1 3.36Å; T517-E621 VanDerWaalsContact CG2-CD 3.47Å; T517-E621 VanDerWaalsContact CG2-OE1 3.26Å; T517-E621 WeakPolarHBondContact CG2-OE1 3.24Å; T517-E621 VanDerWaalsContact CG2-OE2 3.3Å; T517-E621 WeakPolarHBondContact CG2-OE2 3.45Å; T517-E621 PolarHBondContact N-OE2 2.95Å; T517-E621 VanDerWaalsContact OG1-CD 3.27Å; T517-E621 PolarHBondContact OG1-OE1 3.37Å; T517-E621 PolarHBondContact OG1-OE2 3.35Å
518	R	90	Very high	91.8	Very high	113 Å²	113	53.3 Å²	53.3	43%	0.426	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-29.3	173.4	-57.8	178.4	-67.6	173.6	0.6	111.3	Y452 V453 D516	Y452-R518 HydrophobicContact CD1-CG 4.07Å; Y452-R518 HydrophobicContact CD2-CG 4.15Å; Y452-R518 HydrophobicContact CE1-CG 3.86Å; Y452-R518 HydrophobicContact CE2-CG 3.95Å; Y452-R518 HydrophobicContact CG-CG 4.19Å; V453-R518 PolarHBondContact O-NH2 3.21Å; D516-R518 PolarHBondContact O-N 2.79Å; D516-R518 WeakPolarHBondContact OD1-CA 3.46Å; D516-R518 WeakPolarHBondContact OD1-CB 3.47Å; D516-R518 PolarHBondContact OD1-N 2.97Å; D516-R518 IonicContact OD1-NE 2.7Å; D516-R518 IonicContact OD2-CZ 2.6Å; D516-R518 VanDerWaalsContact OD2-CZ 3.27Å; D516-R518 IonicContact OD2-NE 3.45Å; D516-R518 PolarHBondContact OD2-NE 3.25Å; D516-R518 IonicContact OD2-NH2 3.6Å; D516-R518 PolarHBondContact OD2-NH2 3.39Å
519	I	89.9	Confident	91.7	Very high	88 Å²	88	51 Å²	51	45%	0.451	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-37.6	-180	-56.9	172.4	0	0	0	110.6	F458 V515 D516	F458-I519 HydrophobicContact CD1-CD1 4.36Å; F458-I519 HydrophobicContact CE1-CD1 3.72Å; F458-I519 HydrophobicContact CZ-CD1 3.91Å; V515-I519 HydrophobicContact CG1-CB 4.42Å; D516-I519 PolarHBondContact O-N 3.48Å; D516-I519 PolarHBondContact OD1-N 2.79Å
520	V	90.8	Very high	91.5	Very high	37 Å²	37	52.5 Å²	52.5	22%	0.224	26%	0.262	C	S	.	.	S	Bend	trans	-124.6	137.1	-175.5	176.7	0	0	0	0	109.5	V515 D516 T517 W524 V528	V515-V520 HydrophobicContact CG1-CB 4.21Å; V515-V520 HydrophobicContact CG1-CG2 3.53Å; D516-V520 PolarHBondContact O-N 3.04Å; T517-V520 CarbonylContact C-O 3.31Å; T517-V520 VanDerWaalsContact C-O 3.29Å; T517-V520 WeakPolarHBondContact CA-O 3.38Å; V520-W524 HydrophobicContact CG1-CB 3.48Å; V520-W524 VanDerWaalsContact CG1-CB 3.48Å; V520-V528 HydrophobicContact CG1-CG2 4.15Å; V520-V528 HydrophobicContact CG2-CG2 4.42Å
521	S	90.6	Very high	91.4	Very high	66 Å²	66	54.2 Å²	54.2	46%	0.462	28%	0.276	S	S	.	.			trans	-65.8	154.8	179.6	69.5	0	0	0	0	112.5	Q523 W524 F525	S521-Q523 PolarHBondContact O-N 2.74Å; S521-W524 PolarHBondContact O-N 3.2Å; S521-W524 VanDerWaalsContact OG-CD1 3.3Å; S521-F525 PolarHBondContact O-N 3.22Å; S521-F525 VanDerWaalsContact O-N 3.16Å
522	E	86.5	Confident	91.4	Very high	95 Å²	95	53 Å²	53	44%	0.444	27%	0.269	S	S	.	.	H	α-helix	trans	-54.4	-31.1	-174.2	-64.1	-172.9	172.8	0	0	113.3	R450 T517 F525 L599	R450-E522 IonicContact CZ-OE1 3.27Å; R450-E522 VanDerWaalsContact CZ-OE1 3.31Å; R450-E522 IonicContact NH1-OE1 2.73Å; R450-E522 PolarHBondContact NH1-OE1 3.21Å; R450-E522 IonicContact NH2-OE1 2.95Å; R450-E522 PolarHBondContact NH2-OE1 3.19Å; T517-E522 HydrophobicContact CG2-CG 4.04Å; E522-F525 PolarHBondContact O-N 2.74Å; E522-L599 HydrophobicContact CB-CD2 3.89Å; E522-L599 HydrophobicContact CG-CD2 4Å
523	Q	84.9	Confident	91.3	Very high	160 Å²	160	52.8 Å²	52.8	75%	0.748	27%	0.269	S	S	*	.	H	α-helix	trans	-64.8	-40.1	177.8	-66.6	177.8	-7.9	0	0	112.8	S521	S521-Q523 PolarHBondContact O-N 2.74Å
524	W	90.2	Very high	91.4	Very high	147 Å²	147	53.8 Å²	53.8	56%	0.557	27%	0.269	S	S	*	.	H	α-helix	trans	-88.8	-14.9	-177.4	-63.7	88.1	0	0	0	112.7	V520 S521 S526 M527 V528	V520-W524 HydrophobicContact CG1-CB 3.48Å; V520-W524 VanDerWaalsContact CG1-CB 3.48Å; S521-W524 PolarHBondContact O-N 3.2Å; S521-W524 VanDerWaalsContact OG-CD1 3.3Å; W524-S526 PolarHBondContact O-N 3.32Å; W524-M527 HydrophobicContact CB-CE 4.45Å; W524-M527 HydrophobicContact CD2-CE 3.64Å; W524-M527 HydrophobicContact CE3-CE 3.02Å; W524-M527 HydrophobicContact CE3-SD 3.78Å; W524-M527 HydrophobicContact CG-CE 4.27Å; W524-M527 HydrophobicContact CH2-CE 4.21Å; W524-M527 HydrophobicContact CZ3-CE 3.34Å; W524-M527 HydrophobicContact CZ3-SD 3.82Å; W524-M527 WeakPolarHBondContact O-CB 3.45Å; W524-M527 PolarHBondContact O-N 2.76Å; W524-V528 PolarHBondContact O-N 3.21Å; W524-V528 VanDerWaalsContact O-N 3.13Å
525	F	91.6	Very high	91.6	Very high	5 Å²	5	55.1 Å²	55.1	2%	0.022	28%	0.277	C	S	.	.	H	α-helix	trans	-59.5	-34.4	179.9	-168.7	-98.5	0	0	0	113.1	V515 T517 S521 E522 M527 V528 C529 L599	V515-F525 WeakPolarHBondContact O-CE2 3.01Å; T517-F525 HydrophobicContact CG2-CB 4.29Å; T517-F525 HydrophobicContact CG2-CD2 4.06Å; T517-F525 HydrophobicContact CG2-CG 4.07Å; S521-F525 PolarHBondContact O-N 3.22Å; S521-F525 VanDerWaalsContact O-N 3.16Å; E522-F525 PolarHBondContact O-N 2.74Å; F525-M527 VanDerWaalsContact C-N 3.29Å; F525-M527 PolarHBondContact O-N 3.45Å; F525-V528 CarbonylContact O-C 3.55Å; F525-V528 WeakPolarHBondContact O-CA 3.47Å; F525-V528 WeakPolarHBondContact O-CB 3.25Å; F525-V528 PolarHBondContact O-N 2.96Å; F525-V528 VanDerWaalsContact O-N 3.1Å; F525-C529 VanDerWaalsContact CE1-SG 3.51Å; F525-C529 PolarHBondContact O-N 2.95Å; F525-C529 PolarHBondContact O-SG 3.24Å; F525-L599 HydrophobicContact CD1-CB 3.98Å; F525-L599 HydrophobicContact CD1-CD1 3.51Å; F525-L599 HydrophobicContact CD1-CD2 4.49Å; F525-L599 HydrophobicContact CD1-CG 4.17Å; F525-L599 HydrophobicContact CE1-CD1 3.64Å; F525-L599 HydrophobicContact CG-CD1 4.38Å
526	S	90.1	Very high	91.7	Very high	36 Å²	36	57.5 Å²	57.5	25%	0.252	29%	0.289	S	S	.	.	H	α-helix	trans	-62.8	-35.8	175.9	-57.4	0	0	0	0	112.2	W524 C529 T530 L599	W524-S526 PolarHBondContact O-N 3.32Å; S526-C529 WeakPolarHBondContact O-CB 3.49Å; S526-C529 PolarHBondContact O-N 3.4Å; S526-T530 PolarHBondContact O-N 3.21Å; S526-T530 PolarHBondContact O-OG1 3.32Å; S526-L599 PolarHBondContact OG-N 3.06Å
527	M	91.1	Very high	91.8	Very high	103 Å²	103	57.6 Å²	57.6	51%	0.507	29%	0.29	S	S	.	.	H	α-helix	trans	-69.6	-37.6	172.8	-75.3	177.6	-91.9	0	0	111.7	W524 F525 C529 T530 A531	W524-M527 HydrophobicContact CB-CE 4.45Å; W524-M527 HydrophobicContact CD2-CE 3.64Å; W524-M527 HydrophobicContact CE3-CE 3.02Å; W524-M527 HydrophobicContact CE3-SD 3.78Å; W524-M527 HydrophobicContact CG-CE 4.27Å; W524-M527 HydrophobicContact CH2-CE 4.21Å; W524-M527 HydrophobicContact CZ3-CE 3.34Å; W524-M527 HydrophobicContact CZ3-SD 3.82Å; W524-M527 WeakPolarHBondContact O-CB 3.45Å; W524-M527 PolarHBondContact O-N 2.76Å; F525-M527 VanDerWaalsContact C-N 3.29Å; F525-M527 PolarHBondContact O-N 3.45Å; M527-C529 VanDerWaalsContact C-N 3.33Å; M527-C529 PolarHBondContact O-N 2.98Å; M527-T530 PolarHBondContact O-N 3.23Å; M527-A531 WeakPolarHBondContact O-CB 3.39Å; M527-A531 PolarHBondContact O-N 3.34Å
528	V	93.6	Very high	92.1	Very high	20 Å²	20	58.9 Å²	58.9	12%	0.121	29%	0.294	C	S	.	.	H	α-helix	trans	-62.7	-39.8	174.3	177.6	0	0	0	0	111.1	V515 V520 W524 F525 T530 A531 K532	V515-V528 HydrophobicContact CB-CG1 4.12Å; V515-V528 HydrophobicContact CG1-CG1 4.05Å; V520-V528 HydrophobicContact CG1-CG2 4.15Å; V520-V528 HydrophobicContact CG2-CG2 4.42Å; W524-V528 PolarHBondContact O-N 3.21Å; W524-V528 VanDerWaalsContact O-N 3.13Å; F525-V528 CarbonylContact O-C 3.55Å; F525-V528 WeakPolarHBondContact O-CA 3.47Å; F525-V528 WeakPolarHBondContact O-CB 3.25Å; F525-V528 PolarHBondContact O-N 2.96Å; F525-V528 VanDerWaalsContact O-N 3.1Å; V528-T530 VanDerWaalsContact C-N 3.35Å; V528-T530 PolarHBondContact O-N 3.3Å; V528-A531 PolarHBondContact O-N 3Å; V528-K532 HydrophobicContact CG1-CD 4.36Å; V528-K532 HydrophobicContact CG1-CG 4.41Å; V528-K532 VanDerWaalsContact O-CG 3.29Å; V528-K532 WeakPolarHBondContact O-CG 3.38Å; V528-K532 PolarHBondContact O-N 3.08Å
529	C	93.2	Very high	92.4	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.007	27%	0.274	C	S	.	.	H	α-helix	trans	-55.2	-48.8	173.8	-75.6	0	0	0	0	112.2	F525 S526 M527 K532 M597 C623	F525-C529 VanDerWaalsContact CE1-SG 3.51Å; F525-C529 PolarHBondContact O-N 2.95Å; F525-C529 PolarHBondContact O-SG 3.24Å; S526-C529 WeakPolarHBondContact O-CB 3.49Å; S526-C529 PolarHBondContact O-N 3.4Å; M527-C529 VanDerWaalsContact C-N 3.33Å; M527-C529 PolarHBondContact O-N 2.98Å; C529-K532 PolarHBondContact O-N 3.45Å; C529-M597 HydrophobicContact CB-CB 4.02Å; C529-M597 HydrophobicContact CB-SD 4.26Å; C529-C623 VanDerWaalsContact CA-SG 3.54Å; C529-C623 HydrophobicContact CB-CB 3.6Å; C529-C623 WeakPolarHBondContact CB-SG 3.32Å; C529-C623 WeakPolarHBondContact SG-CB 3.45Å; C529-C623 CovalentContact SG-SG 2.03Å; C529-C623 PolarHBondContact SG-SG 3.18Å
530	T	93.1	Very high	92.7	Very high	31 Å²	31	51 Å²	51	19%	0.19	26%	0.26	C	S	.	.	H	α-helix	trans	-63.9	-45.5	176.1	-56.4	0	0	0	0	111.1	S526 M527 V528 K532 V533 W534 V592	S526-T530 PolarHBondContact O-N 3.21Å; S526-T530 PolarHBondContact O-OG1 3.32Å; M527-T530 PolarHBondContact O-N 3.23Å; V528-T530 VanDerWaalsContact C-N 3.35Å; V528-T530 PolarHBondContact O-N 3.3Å; T530-K532 VanDerWaalsContact C-N 3.33Å; T530-K532 PolarHBondContact O-N 2.71Å; T530-V533 PolarHBondContact O-N 3.14Å; T530-W534 HydrophobicContact CG2-CG 4.44Å; T530-W534 PolarHBondContact O-N 2.94Å; T530-W534 VanDerWaalsContact O-N 3.09Å; T530-V592 HydrophobicContact CG2-CG2 3.56Å
531	A	94	Very high	92.9	Very high	35 Å²	35	49.3 Å²	49.3	29%	0.289	25%	0.249	S	C	.	.	H	α-helix	trans	-59.2	-40.6	179.5	0	0	0	0	0	112.6	L512 M527 V528 V533 W534 T535	L512-A531 HydrophobicContact CD1-CB 4.34Å; M527-A531 WeakPolarHBondContact O-CB 3.39Å; M527-A531 PolarHBondContact O-N 3.34Å; V528-A531 PolarHBondContact O-N 3Å; A531-V533 VanDerWaalsContact C-N 3.32Å; A531-V533 PolarHBondContact O-N 3.14Å; A531-W534 PolarHBondContact O-N 2.79Å; A531-T535 WeakPolarHBondContact O-CB 3.35Å; A531-T535 PolarHBondContact O-N 3.39Å; A531-T535 PolarHBondContact O-OG1 2.77Å
532	K	94	Very high	93.1	Very high	27 Å²	27	47.7 Å²	47.7	12%	0.117	24%	0.236	C	C	.	.	H	α-helix	trans	-51.9	-49.1	176.7	-76.7	167.3	173.7	175.9	0	111.7	L512 L513 V515 V528 C529 T530 L536	L512-K532 HydrophobicContact CB-CG 4.05Å; L512-K532 WeakPolarHBondContact O-CE 3.42Å; L513-K532 HydrophobicContact CD2-CB 4.44Å; L513-K532 HydrophobicContact CD2-CG 4.43Å; V515-K532 PolarHBondContact O-NZ 3.33Å; V528-K532 HydrophobicContact CG1-CD 4.36Å; V528-K532 HydrophobicContact CG1-CG 4.41Å; V528-K532 VanDerWaalsContact O-CG 3.29Å; V528-K532 WeakPolarHBondContact O-CG 3.38Å; V528-K532 PolarHBondContact O-N 3.08Å; C529-K532 PolarHBondContact O-N 3.45Å; T530-K532 VanDerWaalsContact C-N 3.33Å; T530-K532 PolarHBondContact O-N 2.71Å; K532-L536 WeakPolarHBondContact O-CB 3.48Å; K532-L536 PolarHBondContact O-N 2.79Å
533	V	93.6	Very high	93.5	Very high	41 Å²	41	43.8 Å²	43.8	25%	0.248	22%	0.218	C	C	.	.	H	α-helix	trans	-71.5	-43.4	-178.6	179.5	0	0	0	0	111.5	T530 A531 C537 L588 W591 M597	T530-V533 PolarHBondContact O-N 3.14Å; A531-V533 VanDerWaalsContact C-N 3.32Å; A531-V533 PolarHBondContact O-N 3.14Å; V533-C537 VanDerWaalsContact O-CB 3.25Å; V533-C537 WeakPolarHBondContact O-CB 3.46Å; V533-C537 PolarHBondContact O-N 3.43Å; V533-L588 HydrophobicContact CG1-CD2 3.82Å; V533-W591 HydrophobicContact CG1-CE3 4.44Å; V533-W591 HydrophobicContact CG1-CZ3 3.87Å; V533-M597 HydrophobicContact CB-CE 4.23Å; V533-M597 HydrophobicContact CG2-CE 3.7Å; V533-M597 HydrophobicContact CG2-SD 4.17Å
534	W	95.2	Very high	93.9	Very high	74 Å²	74	36.3 Å²	36.3	28%	0.28	18%	0.183	S	C	.	.	H	α-helix	trans	-62.4	-49.6	-179.1	-82.3	56.8	0	0	0	112.3	T530 A531 L536 C537 F538 L588 V589 V592	T530-W534 HydrophobicContact CG2-CG 4.44Å; T530-W534 PolarHBondContact O-N 2.94Å; T530-W534 VanDerWaalsContact O-N 3.09Å; A531-W534 PolarHBondContact O-N 2.79Å; W534-L536 PolarHBondContact O-N 2.94Å; W534-C537 PolarHBondContact O-N 3.24Å; W534-F538 HydrophobicContact CD2-CE2 4.34Å; W534-F538 HydrophobicContact CE3-CD2 4.3Å; W534-F538 AromaticContact CE3-CE2 3.51Å; W534-F538 HydrophobicContact CE3-CE2 3.51Å; W534-F538 HydrophobicContact CE3-CZ 4.42Å; W534-F538 AromaticContact CZ3-CE2 3.83Å; W534-F538 HydrophobicContact CZ3-CE2 3.83Å; W534-F538 HydrophobicContact CZ3-CZ 4.36Å; W534-F538 WeakPolarHBondContact O-CB 3.32Å; W534-F538 WeakPolarHBondContact O-CD2 3.22Å; W534-F538 PolarHBondContact O-N 2.94Å; W534-L588 HydrophobicContact CD2-CB 4.44Å; W534-L588 HydrophobicContact CD2-CD1 4.15Å; W534-L588 HydrophobicContact CG-CD1 4.12Å; W534-L588 HydrophobicContact CZ2-CB 3.77Å; W534-V589 HydrophobicContact CH2-CG2 3.75Å; W534-V589 HydrophobicContact CZ2-CG2 4.08Å; W534-V592 HydrophobicContact CZ2-CG2 4.27Å
535	T	95.5	Very high	94.1	Very high	31 Å²	31	29.3 Å²	29.3	19%	0.19	16%	0.157	C	C	.	.	H	α-helix	trans	-62.7	-44.3	-179	-55.7	0	0	0	0	111.1	V505 C508 L512 A531 G539	V505-T535 HydrophobicContact CG1-CG2 3.75Å; V505-T535 VanDerWaalsContact CG1-O 3.29Å; V505-T535 WeakPolarHBondContact CG1-O 3.49Å; V505-T535 VanDerWaalsContact O-CG2 3.28Å; V505-T535 WeakPolarHBondContact O-CG2 3.28Å; C508-T535 HydrophobicContact CB-CG2 4.31Å; L512-T535 HydrophobicContact CD1-CG2 4.11Å; L512-T535 WeakPolarHBondContact CD1-OG1 3.43Å; A531-T535 WeakPolarHBondContact O-CB 3.35Å; A531-T535 PolarHBondContact O-N 3.39Å; A531-T535 PolarHBondContact O-OG1 2.77Å; T535-G539 PolarHBondContact O-N 2.9Å
536	L	94.7	Very high	94.2	Very high	67 Å²	67	29.1 Å²	29.1	35%	0.351	16%	0.156	S	C	.	.	H	α-helix	trans	-65	-44.5	178.2	-177	62.6	0	0	0	112	K532 W534 F540 I703	K532-L536 WeakPolarHBondContact O-CB 3.48Å; K532-L536 PolarHBondContact O-N 2.79Å; W534-L536 PolarHBondContact O-N 2.94Å; L536-F540 WeakPolarHBondContact O-CB 3.38Å; L536-F540 PolarHBondContact O-N 3.32Å; L536-I703 HydrophobicContact CD1-CD1 4.1Å
537	C	95.4	Very high	94.2	Very high	13 Å²	13	27.4 Å²	27.4	9%	0.088	14%	0.144	C	C	.	.	H	α-helix	trans	-63.1	-50.6	-179.3	-170.6	0	0	0	0	111.7	V533 W534 F540 T541 L588	V533-C537 VanDerWaalsContact O-CB 3.25Å; V533-C537 WeakPolarHBondContact O-CB 3.46Å; V533-C537 PolarHBondContact O-N 3.43Å; W534-C537 PolarHBondContact O-N 3.24Å; C537-F540 PolarHBondContact O-N 2.97Å; C537-T541 PolarHBondContact O-N 3.32Å; C537-T541 VanDerWaalsContact O-N 3.07Å; C537-T541 PolarHBondContact O-OG1 2.73Å; C537-L588 HydrophobicContact CB-CD1 4.04Å
538	F	96.4	Very high	94.2	Very high	46 Å²	46	23.8 Å²	23.8	20%	0.202	13%	0.125	C	C	.	.	H	α-helix	trans	-65.8	-41.3	179.5	-79	-51.6	0	0	0	112.8	W534 F540 T541 L542 L581 D584 S585 L588	W534-F538 HydrophobicContact CD2-CE2 4.34Å; W534-F538 HydrophobicContact CE3-CD2 4.3Å; W534-F538 AromaticContact CE3-CE2 3.51Å; W534-F538 HydrophobicContact CE3-CE2 3.51Å; W534-F538 HydrophobicContact CE3-CZ 4.42Å; W534-F538 AromaticContact CZ3-CE2 3.83Å; W534-F538 HydrophobicContact CZ3-CE2 3.83Å; W534-F538 HydrophobicContact CZ3-CZ 4.36Å; W534-F538 WeakPolarHBondContact O-CB 3.32Å; W534-F538 WeakPolarHBondContact O-CD2 3.22Å; W534-F538 PolarHBondContact O-N 2.94Å; F538-F540 VanDerWaalsContact C-N 3.31Å; F538-F540 PolarHBondContact O-N 3.32Å; F538-T541 PolarHBondContact O-N 2.73Å; F538-L542 WeakPolarHBondContact O-CB 3.34Å; F538-L542 VanDerWaalsContact O-CG 3.24Å; F538-L542 WeakPolarHBondContact O-CG 3.48Å; F538-L542 PolarHBondContact O-N 2.79Å; F538-L581 HydrophobicContact CD1-CD2 3.59Å; F538-L581 HydrophobicContact CE1-CD2 4.1Å; F538-D584 HydrophobicContact CE1-CB 4.39Å; F538-S585 WeakPolarHBondContact CZ-OG 3.35Å; F538-L588 HydrophobicContact CE2-CD1 4.43Å
539	G	96.1	Very high	94.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-58.9	-43.5	176.3	0	0	0	0	0	112.2	G502 T535 T543	G502-G539 WeakPolarHBondContact O-CA 3.45Å; T535-G539 PolarHBondContact O-N 2.9Å; G539-T543 WeakPolarHBondContact O-CB 3.37Å; G539-T543 PolarHBondContact O-N 2.98Å; G539-T543 VanDerWaalsContact O-N 3.16Å; G539-T543 PolarHBondContact O-OG1 2.92Å
540	F	95.3	Very high	93.8	Very high	37 Å²	37	23.3 Å²	23.3	16%	0.162	12%	0.121	C	C	.	.	H	α-helix	trans	-60.7	-48.6	175.7	179.5	-87.1	0	0	0	111.5	L536 C537 F538 T543 F544 K639 M642 L643 V674	L536-F540 WeakPolarHBondContact O-CB 3.38Å; L536-F540 PolarHBondContact O-N 3.32Å; C537-F540 PolarHBondContact O-N 2.97Å; F538-F540 VanDerWaalsContact C-N 3.31Å; F538-F540 PolarHBondContact O-N 3.32Å; F540-T543 PolarHBondContact O-N 3.34Å; F540-F544 HydrophobicContact CD1-CB 4.43Å; F540-F544 HydrophobicContact CE1-CB 4.06Å; F540-F544 HydrophobicContact CE1-CD1 4.01Å; F540-F544 HydrophobicContact CE1-CG 4.25Å; F540-F544 HydrophobicContact CZ-CB 4.14Å; F540-F544 HydrophobicContact CZ-CD1 4.12Å; F540-F544 HydrophobicContact CZ-CG 4.12Å; F540-F544 VanDerWaalsContact O-CB 3.32Å; F540-F544 WeakPolarHBondContact O-CB 3.31Å; F540-F544 PolarHBondContact O-N 2.97Å; F540-K639 HydrophobicContact CD1-CD 3.77Å; F540-K639 HydrophobicContact CE1-CB 4.41Å; F540-K639 HydrophobicContact CE1-CD 3.69Å; F540-K639 HydrophobicContact CE1-CG 4.32Å; F540-M642 HydrophobicContact CE1-SD 4.48Å; F540-L643 HydrophobicContact CE2-CD2 4.47Å; F540-L643 HydrophobicContact CZ-CD1 4.49Å; F540-L643 HydrophobicContact CZ-CD2 3.78Å; F540-L643 HydrophobicContact CZ-CG 4.18Å; F540-V674 HydrophobicContact CE2-CG1 4.03Å
541	T	95.9	Very high	93.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-67.5	-40.8	-176.4	-54.1	0	0	0	0	113.3	C537 F538 T543 G545 L580 L581 D584 K639	C537-T541 PolarHBondContact O-N 3.32Å; C537-T541 VanDerWaalsContact O-N 3.07Å; C537-T541 PolarHBondContact O-OG1 2.73Å; F538-T541 PolarHBondContact O-N 2.73Å; T541-T543 VanDerWaalsContact C-N 3.32Å; T541-T543 PolarHBondContact O-N 2.78Å; T541-G545 WeakPolarHBondContact O-CA 3.19Å; T541-G545 PolarHBondContact O-N 3.31Å; T541-L580 HydrophobicContact CG2-CB 3.84Å; T541-L581 HydrophobicContact CG2-CD2 3.6Å; T541-L581 HydrophobicContact CG2-CG 3.93Å; T541-D584 VanDerWaalsContact CB-OD2 3.27Å; T541-D584 WeakPolarHBondContact CB-OD2 3.42Å; T541-D584 VanDerWaalsContact CG2-OD2 3.28Å; T541-D584 WeakPolarHBondContact CG2-OD2 3.49Å; T541-D584 PolarHBondContact OG1-OD2 3.37Å; T541-K639 PolarHBondContact OG1-NZ 3.01Å
542	L	95.5	Very high	93.3	Very high	33 Å²	33	24.6 Å²	24.6	17%	0.173	12%	0.115	C	C	.	.	H	α-helix	trans	-60.1	-46.9	175.2	-70.3	170.3	0	0	0	110.3	L498 F538 S546 L581	L498-L542 HydrophobicContact CD1-CD2 4.44Å; L498-L542 HydrophobicContact CD2-CB 3.83Å; L498-L542 HydrophobicContact CD2-CD2 3.6Å; L498-L542 HydrophobicContact CD2-CG 4.33Å; L498-L542 WeakPolarHBondContact CD2-O 3.46Å; L498-L542 HydrophobicContact CG-CD2 4.1Å; F538-L542 WeakPolarHBondContact O-CB 3.34Å; F538-L542 VanDerWaalsContact O-CG 3.24Å; F538-L542 WeakPolarHBondContact O-CG 3.48Å; F538-L542 PolarHBondContact O-N 2.79Å; L542-S546 VanDerWaalsContact O-CB 3.25Å; L542-S546 WeakPolarHBondContact O-CB 3.41Å; L542-S546 PolarHBondContact O-N 2.98Å; L542-S546 PolarHBondContact O-OG 2.82Å; L542-L581 HydrophobicContact CD2-CD1 3.68Å; L542-L581 HydrophobicContact CD2-CD2 4.05Å; L542-L581 HydrophobicContact CD2-CG 4.43Å; L542-L581 HydrophobicContact CG-CD2 4.13Å
543	T	94.2	Very high	93	Very high	13 Å²	13	26.4 Å²	26.4	8%	0.08	12%	0.121	C	C	.	.	H	α-helix	trans	-68.6	-58.7	-177.4	-55.2	0	0	0	0	111.8	I499 G502 S503 G539 F540 T541 S546 M547 T710	I499-T543 HydrophobicContact CG2-CG2 4.43Å; G502-T543 WeakPolarHBondContact CA-OG1 3.21Å; S503-T543 PolarHBondContact N-OG1 2.82Å; G539-T543 WeakPolarHBondContact O-CB 3.37Å; G539-T543 PolarHBondContact O-N 2.98Å; G539-T543 VanDerWaalsContact O-N 3.16Å; G539-T543 PolarHBondContact O-OG1 2.92Å; F540-T543 PolarHBondContact O-N 3.34Å; T541-T543 VanDerWaalsContact C-N 3.32Å; T541-T543 PolarHBondContact O-N 2.78Å; T543-S546 PolarHBondContact O-N 2.77Å; T543-M547 HydrophobicContact CG2-CE 3.57Å; T543-M547 WeakPolarHBondContact O-CG 3.43Å; T543-M547 PolarHBondContact O-N 3.36Å; T543-T710 HydrophobicContact CG2-CG2 4.24Å
544	F	93.9	Very high	92.5	Very high	3 Å²	3	25.1 Å²	25.1	1%	0.013	11%	0.114	C	C	.	.	H	α-helix	trans	-74	-37.8	-175.1	-174.7	-107.6	0	0	0	112.2	F540 S546 M547 F548 M642 L643 V671 V674	F540-F544 HydrophobicContact CD1-CB 4.43Å; F540-F544 HydrophobicContact CE1-CB 4.06Å; F540-F544 HydrophobicContact CE1-CD1 4.01Å; F540-F544 HydrophobicContact CE1-CG 4.25Å; F540-F544 HydrophobicContact CZ-CB 4.14Å; F540-F544 HydrophobicContact CZ-CD1 4.12Å; F540-F544 HydrophobicContact CZ-CG 4.12Å; F540-F544 VanDerWaalsContact O-CB 3.32Å; F540-F544 WeakPolarHBondContact O-CB 3.31Å; F540-F544 PolarHBondContact O-N 2.97Å; F544-S546 VanDerWaalsContact C-N 3.3Å; F544-S546 PolarHBondContact O-N 2.93Å; F544-M547 PolarHBondContact O-N 3.08Å; F544-F548 WeakPolarHBondContact O-CB 3.4Å; F544-F548 PolarHBondContact O-N 3.02Å; F544-M642 HydrophobicContact CD1-CE 3.34Å; F544-M642 HydrophobicContact CD1-CG 4.03Å; F544-M642 HydrophobicContact CD1-SD 3.56Å; F544-M642 VanDerWaalsContact CD1-SD 3.56Å; F544-M642 HydrophobicContact CE1-CB 4.23Å; F544-M642 HydrophobicContact CE1-CE 3.82Å; F544-M642 HydrophobicContact CE1-CG 3.73Å; F544-M642 WeakPolarHBondContact CE1-O 3.29Å; F544-M642 HydrophobicContact CE1-SD 3.92Å; F544-M642 HydrophobicContact CG-CE 4.35Å; F544-L643 HydrophobicContact CD1-CD2 4.16Å; F544-L643 HydrophobicContact CD2-CD2 4.06Å; F544-L643 HydrophobicContact CE1-CD2 3.8Å; F544-L643 HydrophobicContact CE1-CG 4.49Å; F544-L643 HydrophobicContact CE2-CD2 3.64Å; F544-L643 HydrophobicContact CG-CD2 4.33Å; F544-L643 HydrophobicContact CZ-CD2 3.53Å; F544-L643 HydrophobicContact CZ-CG 4.47Å; F544-V671 HydrophobicContact CE2-CB 4.45Å; F544-V671 HydrophobicContact CE2-CG1 4.03Å; F544-V671 HydrophobicContact CE2-CG2 4.01Å; F544-V671 HydrophobicContact CZ-CG1 4.49Å; F544-V674 HydrophobicContact CD2-CG1 4.37Å
545	G	93.1	Very high	92	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.9	-36.5	174.6	0	0	0	0	0	112.8	T541 F548 S549 M642	T541-G545 WeakPolarHBondContact O-CA 3.19Å; T541-G545 PolarHBondContact O-N 3.31Å; G545-F548 PolarHBondContact O-N 3.35Å; G545-S549 WeakPolarHBondContact O-CB 3.4Å; G545-S549 PolarHBondContact O-N 2.9Å; G545-M642 VanDerWaalsContact CA-CE 3.42Å
546	S	93.3	Very high	91.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64	-44.8	171.9	-68.9	0	0	0	0	112.9	L498 L542 T543 F544 F548 S549 K550	L498-S546 WeakPolarHBondContact CD2-OG 3.46Å; L542-S546 VanDerWaalsContact O-CB 3.25Å; L542-S546 WeakPolarHBondContact O-CB 3.41Å; L542-S546 PolarHBondContact O-N 2.98Å; L542-S546 PolarHBondContact O-OG 2.82Å; T543-S546 PolarHBondContact O-N 2.77Å; F544-S546 VanDerWaalsContact C-N 3.3Å; F544-S546 PolarHBondContact O-N 2.93Å; S546-F548 VanDerWaalsContact C-N 3.33Å; S546-S549 PolarHBondContact O-N 3.18Å; S546-S549 PolarHBondContact O-OG 3.25Å; S546-K550 PolarHBondContact O-N 3Å; S546-K550 VanDerWaalsContact O-N 3.09Å
547	M	91.2	Very high	90.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63.7	-41.7	177.6	-69.9	169.9	-161.4	0	0	111.5	I499 T543 F544 K550 T551 I667 T710 V714	I499-M547 HydrophobicContact CD1-CE 4.29Å; I499-M547 HydrophobicContact CD1-CG 4.05Å; I499-M547 HydrophobicContact CG1-CE 4.31Å; I499-M547 HydrophobicContact CG1-CG 4.47Å; I499-M547 HydrophobicContact CG2-CE 3.61Å; T543-M547 HydrophobicContact CG2-CE 3.57Å; T543-M547 WeakPolarHBondContact O-CG 3.43Å; T543-M547 PolarHBondContact O-N 3.36Å; F544-M547 PolarHBondContact O-N 3.08Å; M547-K550 PolarHBondContact O-N 3.16Å; M547-T551 PolarHBondContact O-N 3.25Å; M547-T551 PolarHBondContact O-OG1 3.1Å; M547-T551 VanDerWaalsContact O-OG1 3.04Å; M547-I667 HydrophobicContact CB-CG2 3.78Å; M547-I667 HydrophobicContact CG-CG2 4.08Å; M547-T710 HydrophobicContact CE-CG2 3.05Å; M547-T710 HydrophobicContact SD-CG2 3.97Å; M547-V714 HydrophobicContact CE-CG2 4.44Å
548	F	90.9	Very high	89.8	Confident	27 Å²	27	25 Å²	25	12%	0.118	11%	0.114	C	C	.	.	H	α-helix	trans	-58.8	-46.8	172.4	-178.4	-97.6	0	0	0	111.4	F544 G545 S546 K550 T551 W552 L576 M642 L645 L649	F544-F548 WeakPolarHBondContact O-CB 3.4Å; F544-F548 PolarHBondContact O-N 3.02Å; G545-F548 PolarHBondContact O-N 3.35Å; S546-F548 VanDerWaalsContact C-N 3.33Å; F548-K550 VanDerWaalsContact C-N 3.26Å; F548-K550 PolarHBondContact O-N 3.28Å; F548-T551 WeakPolarHBondContact CA-OG1 3.4Å; F548-T551 PolarHBondContact O-N 2.02Å; F548-T551 PolarHBondContact O-OG1 3.34Å; F548-W552 VanDerWaalsContact O-CB 3.23Å; F548-W552 WeakPolarHBondContact O-CB 3.26Å; F548-W552 PolarHBondContact O-N 2.68Å; F548-L576 HydrophobicContact CD1-CD2 3.84Å; F548-L576 HydrophobicContact CD1-CG 4.46Å; F548-L576 HydrophobicContact CE1-CD1 4.4Å; F548-L576 HydrophobicContact CE1-CD2 3.89Å; F548-L576 HydrophobicContact CE1-CG 4.46Å; F548-M642 HydrophobicContact CB-CE 4.48Å; F548-L645 HydrophobicContact CE2-CB 4.03Å; F548-L649 HydrophobicContact CD2-CD1 3.85Å; F548-L649 HydrophobicContact CE2-CD1 3.29Å; F548-L649 HydrophobicContact CE2-CG 4.27Å; F548-L649 HydrophobicContact CZ-CD1 3.69Å
549	S	90.7	Very high	88.7	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.8	-34.7	178.2	80.4	0	0	0	0	113.3	G545 S546 R553	G545-S549 WeakPolarHBondContact O-CB 3.4Å; G545-S549 PolarHBondContact O-N 2.9Å; S546-S549 PolarHBondContact O-N 3.18Å; S546-S549 PolarHBondContact O-OG 3.25Å; S549-R553 WeakPolarHBondContact O-CB 3.49Å; S549-R553 PolarHBondContact O-N 3.08Å
550	K	88.3	Confident	87.5	Confident	11 Å²	11	28.4 Å²	28.4	5%	0.048	14%	0.137	C	C	.	.	H	α-helix	trans	-71.9	-47.6	177.4	-75.8	-172.2	159.1	-150.8	0	112.6	S491 V495 N496 I499 S546 M547 F548 W552 R553 V554 D663 I667	S491-K550 WeakPolarHBondContact O-CE 3.45Å; S491-K550 PolarHBondContact O-NZ 2.99Å; S491-K550 PolarHBondContact OG-NZ 3.37Å; V495-K550 HydrophobicContact CG1-CD 4.19Å; V495-K550 HydrophobicContact CG1-CG 3.84Å; N496-K550 VanDerWaalsContact CG-NZ 3.34Å; N496-K550 WeakPolarHBondContact OD1-CE 3.04Å; N496-K550 PolarHBondContact OD1-NZ 3.15Å; I499-K550 HydrophobicContact CD1-CD 4.42Å; S546-K550 PolarHBondContact O-N 3Å; S546-K550 VanDerWaalsContact O-N 3.09Å; M547-K550 PolarHBondContact O-N 3.16Å; F548-K550 VanDerWaalsContact C-N 3.26Å; F548-K550 PolarHBondContact O-N 3.28Å; K550-W552 VanDerWaalsContact C-N 3.31Å; K550-W552 PolarHBondContact O-N 3.27Å; K550-R553 WeakPolarHBondContact O-CB 3.39Å; K550-R553 PolarHBondContact O-N 2.85Å; K550-V554 WeakPolarHBondContact O-CG2 3.43Å; K550-V554 PolarHBondContact O-N 3.41Å; K550-V554 VanDerWaalsContact O-N 3.09Å; K550-D663 IonicContact NZ-OD2 3.56Å; K550-D663 PolarHBondContact NZ-OD2 3.3Å; K550-I667 HydrophobicContact CB-CD1 3.97Å; K550-I667 HydrophobicContact CD-CD1 3.49Å; K550-I667 VanDerWaalsContact CD-CD1 3.49Å; K550-I667 HydrophobicContact CG-CD1 4.41Å
551	T	88.3	Confident	85.7	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64	-39.3	176.9	48.3	0	0	0	0	111	M547 F548 V554 H555 I667	M547-T551 PolarHBondContact O-N 3.25Å; M547-T551 PolarHBondContact O-OG1 3.1Å; M547-T551 VanDerWaalsContact O-OG1 3.04Å; F548-T551 WeakPolarHBondContact CA-OG1 3.4Å; F548-T551 PolarHBondContact O-N 2.02Å; F548-T551 PolarHBondContact O-OG1 3.34Å; T551-V554 PolarHBondContact O-N 3.39Å; T551-H555 WeakPolarHBondContact O-CB 3.38Å; T551-H555 PolarHBondContact O-N 3.38Å; T551-I667 HydrophobicContact CG2-CB 4.45Å; T551-I667 HydrophobicContact CG2-CG2 3.66Å
552	W	88.7	Confident	83.9	Confident	93 Å²	93	38 Å²	38	35%	0.352	19%	0.189	S	C	.	.	H	α-helix	trans	-61.9	-43.3	172.9	-177.7	82.2	0	0	0	112.8	F548 K550 V554 H555 S556 L576 L649	F548-W552 VanDerWaalsContact O-CB 3.23Å; F548-W552 WeakPolarHBondContact O-CB 3.26Å; F548-W552 PolarHBondContact O-N 2.68Å; K550-W552 VanDerWaalsContact C-N 3.31Å; K550-W552 PolarHBondContact O-N 3.27Å; W552-V554 VanDerWaalsContact C-N 3.3Å; W552-V554 PolarHBondContact O-N 2.95Å; W552-H555 PolarHBondContact O-N 3.48Å; W552-S556 WeakPolarHBondContact O-CB 3.35Å; W552-S556 PolarHBondContact O-N 3.28Å; W552-L576 HydrophobicContact CE3-CD2 4.5Å; W552-L649 HydrophobicContact CB-CD1 3.96Å
553	R	87.1	Confident	82	Confident	65 Å²	65	41.1 Å²	41.1	25%	0.245	21%	0.206	C	C	.	.	H	α-helix	trans	-58	-44.6	174.9	178.6	-172.9	176.7	-169.5	5.9	111.1	S492 S549 K550 I557 I568 L573	S492-R553 PolarHBondContact OG-NH1 2.85Å; S549-R553 WeakPolarHBondContact O-CB 3.49Å; S549-R553 PolarHBondContact O-N 3.08Å; K550-R553 WeakPolarHBondContact O-CB 3.39Å; K550-R553 PolarHBondContact O-N 2.85Å; R553-I557 HydrophobicContact CG-CD1 3.91Å; R553-I557 WeakPolarHBondContact O-CD1 3Å; R553-I557 WeakPolarHBondContact O-CG1 3.36Å; R553-I557 PolarHBondContact O-N 3.38Å; R553-I557 VanDerWaalsContact O-N 3.13Å; R553-I568 HydrophobicContact CG-CD1 4.34Å; R553-L573 HydrophobicContact CB-CD2 4.32Å
554	V	83.6	Confident	80.1	Confident	14 Å²	14	47 Å²	47	9%	0.085	23%	0.232	C	C	.	.	H	α-helix	trans	-63.3	-53.4	178.2	174.2	0	0	0	0	109.7	K550 T551 W552 S556 I557 F558 T653 L661 S664	K550-V554 WeakPolarHBondContact O-CG2 3.43Å; K550-V554 PolarHBondContact O-N 3.41Å; K550-V554 VanDerWaalsContact O-N 3.09Å; T551-V554 PolarHBondContact O-N 3.39Å; W552-V554 VanDerWaalsContact C-N 3.3Å; W552-V554 PolarHBondContact O-N 2.95Å; V554-S556 VanDerWaalsContact C-N 3.34Å; V554-S556 PolarHBondContact O-N 3.08Å; V554-I557 PolarHBondContact O-N 3.04Å; V554-F558 HydrophobicContact CG1-CD2 3.8Å; V554-F558 HydrophobicContact CG1-CE2 3.95Å; V554-F558 VanDerWaalsContact O-CD2 3.23Å; V554-F558 WeakPolarHBondContact O-CD2 3.07Å; V554-F558 PolarHBondContact O-N 3.47Å; V554-F558 VanDerWaalsContact O-N 3.1Å; V554-T653 HydrophobicContact CB-CG2 4.29Å; V554-T653 HydrophobicContact CG1-CG2 3.87Å; V554-L661 HydrophobicContact CG1-CD2 4.05Å; V554-L661 HydrophobicContact CG2-CD2 4.01Å; V554-S664 WeakPolarHBondContact CG2-OG 3.42Å
555	H	84.2	Confident	78.3	Confident	41 Å²	41	57.1 Å²	57.1	19%	0.19	28%	0.276	C	S	.	.	H	α-helix	trans	-51.8	-51.6	177.1	179.4	-89.1	0	0	0	111.8	T551 W552 I557 F558 T559 L649 T653	T551-H555 WeakPolarHBondContact O-CB 3.38Å; T551-H555 PolarHBondContact O-N 3.38Å; W552-H555 PolarHBondContact O-N 3.48Å; H555-I557 VanDerWaalsContact C-N 3.25Å; H555-I557 PolarHBondContact O-N 3.29Å; H555-F558 PolarHBondContact O-N 3.05Å; H555-T559 VanDerWaalsContact CE1-CG2 3.49Å; H555-T559 WeakPolarHBondContact CE1-CG2 3.33Å; H555-T559 WeakPolarHBondContact NE2-CG2 3.4Å; H555-T559 WeakPolarHBondContact O-CG2 3.24Å; H555-T559 PolarHBondContact O-N 3.17Å; H555-T559 PolarHBondContact O-OG1 2.77Å; H555-L649 HydrophobicContact CB-CD2 4.28Å; H555-T653 HydrophobicContact CB-CG2 3.88Å
556	S	83.4	Confident	76.5	Confident	24 Å²	24	62.9 Å²	62.9	17%	0.168	30%	0.301	C	S	.	.	H	α-helix	trans	-60.7	-29.7	179.5	179.7	0	0	0	0	113.8	W552 V554	W552-S556 WeakPolarHBondContact O-CB 3.35Å; W552-S556 PolarHBondContact O-N 3.28Å; V554-S556 VanDerWaalsContact C-N 3.34Å; V554-S556 PolarHBondContact O-N 3.08Å
557	I	79.3	Confident	75.1	Confident	66 Å²	66	67.1 Å²	67.1	34%	0.338	34%	0.336	S	S	.	.	H	α-helix	trans	-74.5	-37.9	176.2	-70	164.9	0	0	0	110.4	R553 V554 H555 I568	R553-I557 HydrophobicContact CG-CD1 3.91Å; R553-I557 WeakPolarHBondContact O-CD1 3Å; R553-I557 WeakPolarHBondContact O-CG1 3.36Å; R553-I557 PolarHBondContact O-N 3.38Å; R553-I557 VanDerWaalsContact O-N 3.13Å; V554-I557 PolarHBondContact O-N 3.04Å; H555-I557 VanDerWaalsContact C-N 3.25Å; H555-I557 PolarHBondContact O-N 3.29Å; I557-I568 HydrophobicContact CG1-CD1 4.43Å
558	F	75.6	Confident	74.3	Confident	52 Å²	52	67.7 Å²	67.7	23%	0.228	34%	0.339	C	S	.	.	H	α-helix	trans	-86.5	-20.3	-176	-77.1	-78.2	0	0	0	115.1	V554 H555 V656 V658 L661 R748	V554-F558 HydrophobicContact CG1-CD2 3.8Å; V554-F558 HydrophobicContact CG1-CE2 3.95Å; V554-F558 VanDerWaalsContact O-CD2 3.23Å; V554-F558 WeakPolarHBondContact O-CD2 3.07Å; V554-F558 PolarHBondContact O-N 3.47Å; V554-F558 VanDerWaalsContact O-N 3.1Å; H555-F558 PolarHBondContact O-N 3.05Å; F558-V656 HydrophobicContact CD1-CG1 4.02Å; F558-V656 HydrophobicContact CD1-CG2 4.23Å; F558-V656 HydrophobicContact CD2-CG1 3.75Å; F558-V656 HydrophobicContact CD2-CG2 4.15Å; F558-V656 HydrophobicContact CE1-CG1 3.53Å; F558-V656 HydrophobicContact CE2-CB 4.47Å; F558-V656 HydrophobicContact CE2-CG1 3.29Å; F558-V656 HydrophobicContact CG-CG1 4.14Å; F558-V656 HydrophobicContact CG-CG2 4.05Å; F558-V656 HydrophobicContact CZ-CG1 3.15Å; F558-V658 HydrophobicContact CZ-CG2 4.1Å; F558-L661 HydrophobicContact CE2-CD2 3.56Å; F558-L661 HydrophobicContact CZ-CD2 4.13Å; F558-R748 PolarHBondContact O-NH1 2.81Å
559	T	74.9	Confident	73.8	Confident	74 Å²	74	73.3 Å²	73.3	45%	0.454	36%	0.363	S	S	.	.	S	Bend	trans	-90.6	-12	176.1	56.7	0	0	0	0	113.9	H555 V561	H555-T559 VanDerWaalsContact CE1-CG2 3.49Å; H555-T559 WeakPolarHBondContact CE1-CG2 3.33Å; H555-T559 WeakPolarHBondContact NE2-CG2 3.4Å; H555-T559 WeakPolarHBondContact O-CG2 3.24Å; H555-T559 PolarHBondContact O-N 3.17Å; H555-T559 PolarHBondContact O-OG1 2.77Å; T559-V561 PolarHBondContact O-N 3.03Å; T559-V561 VanDerWaalsContact O-N 3.1Å
560	D	69.7	Low	73.5	Confident	43 Å²	43	75.5 Å²	75.5	23%	0.23	38%	0.375	C	S	.	.			trans	-70	107.5	179.1	-162.7	-18.3	0	0	0	110.6	H562 L563	D560-H562 PolarHBondContact O-N 3.49Å; D560-H562 PolarHBondContact OD1-N 2.89Å; D560-L563 PolarHBondContact O-N 2.87Å
561	V	57.8	Low	73.4	Confident	103 Å²	103	81.4 Å²	81.4	62%	0.624	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-27.8	-173	178.7	0	0	0	0	112.2	T559	T559-V561 PolarHBondContact O-N 3.03Å; T559-V561 VanDerWaalsContact O-N 3.1Å
562	H	58.3	Low	73.5	Confident	135 Å²	135	85.4 Å²	85.4	63%	0.625	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-2.6	-174.3	-65.7	88.1	0	0	0	113.7	D560 H564	D560-H562 PolarHBondContact O-N 3.49Å; D560-H562 PolarHBondContact OD1-N 2.89Å; H562-H564 VanDerWaalsContact CB-CD2 3.46Å; H562-H564 WeakPolarHBondContact CB-CD2 3.45Å; H562-H564 PolarHBondContact O-N 3.16Å
563	L	55.8	Low	73.5	Confident	99 Å²	99	81 Å²	81	52%	0.518	40%	0.399	S	S	.	.			trans	41.6	29	179.7	-76.2	166.9	0	0	0	114	D560 K565	D560-L563 PolarHBondContact O-N 2.87Å; L563-K565 PolarHBondContact O-N 3.09Å
564	H	53.5	Low	73.7	Confident	138 Å²	138	81.8 Å²	81.8	64%	0.639	40%	0.404	S	S	*	.			trans	-56.9	139.4	170.7	-73.4	-62.7	0	0	0	106.5	H562 K566	H562-H564 VanDerWaalsContact CB-CD2 3.46Å; H562-H564 WeakPolarHBondContact CB-CD2 3.45Å; H562-H564 PolarHBondContact O-N 3.16Å; H564-K566 PolarHBondContact O-N 3.48Å
565	K	55.7	Low	74.2	Confident	214 Å²	214	86.4 Å²	86.4	93%	0.93	43%	0.428	S	S	*	.			trans	-62.6	71.3	176.2	-77.2	-179.4	176.7	173.8	0	110.1	L563 A567	L563-K565 PolarHBondContact O-N 3.09Å; K565-A567 VanDerWaalsContact C-N 3.33Å; K565-A567 PolarHBondContact O-N 3.48Å
566	K	57.4	Low	74.5	Confident	122 Å²	122	86.8 Å²	86.8	53%	0.53	43%	0.431	S	S	.	.			trans	-84.3	84.8	-179.6	-161.7	174.8	-173.5	175.7	0	106.7	H564 I568	H564-K566 PolarHBondContact O-N 3.48Å; K566-I568 VanDerWaalsContact C-N 3.3Å; K566-I568 PolarHBondContact O-N 3.09Å
567	A	63.5	Low	75	Confident	88 Å²	88	85.8 Å²	85.8	73%	0.727	42%	0.424	S	S	*	.			trans	-66.9	92.4	169.8	0	0	0	0	0	108.8	K565 K569	K565-A567 VanDerWaalsContact C-N 3.33Å; K565-A567 PolarHBondContact O-N 3.48Å; A567-K569 PolarHBondContact O-N 3.44Å; A567-K569 VanDerWaalsContact O-N 3.09Å
568	I	74	Confident	75.7	Confident	13 Å²	13	84.3 Å²	84.3	7%	0.067	43%	0.425	C	S	.	.			trans	-66.2	108.3	170.8	-57.6	175.9	0	0	0	106.9	R553 I557 K566 K572 L573	R553-I568 HydrophobicContact CG-CD1 4.34Å; I557-I568 HydrophobicContact CG1-CD1 4.43Å; K566-I568 VanDerWaalsContact C-N 3.3Å; K566-I568 PolarHBondContact O-N 3.09Å; I568-K572 HydrophobicContact CG2-CB 4.1Å; I568-K572 HydrophobicContact CG2-CD 4.24Å; I568-L573 HydrophobicContact CG2-CD1 3.66Å
569	K	81	Confident	76.6	Confident	144 Å²	144	85.3 Å²	85.3	63%	0.626	44%	0.435	S	S	*	.			trans	-71.3	150.5	176.8	-57.8	-167.6	-169	173.9	0	110.3	A567 Y571 K572	A567-K569 PolarHBondContact O-N 3.44Å; A567-K569 VanDerWaalsContact O-N 3.09Å; K569-Y571 HydrophobicContact CB-CD1 3.38Å; K569-Y571 HydrophobicContact CB-CE1 3.5Å; K569-Y571 VanDerWaalsContact CB-CE1 3.5Å; K569-Y571 HydrophobicContact CD-CD1 4.06Å; K569-Y571 HydrophobicContact CD-CE1 3.79Å; K569-Y571 HydrophobicContact CG-CD1 4.24Å; K569-Y571 HydrophobicContact CG-CE1 3.98Å; K569-Y571 PolarHBondContact O-N 3.36Å; K569-Y571 VanDerWaalsContact O-N 3.12Å; K569-K572 PolarHBondContact O-N 3.36Å; K569-K572 VanDerWaalsContact O-N 3.09Å
570	D	83.4	Confident	77.6	Confident	46 Å²	46	82.8 Å²	82.8	25%	0.246	42%	0.418	C	S	.	.	H	α-helix	trans	-57.2	-30.2	-176.5	-70.2	-27.8	0	0	0	113.3	S492 K572 L573 F574	S492-D570 PolarHBondContact OG-OD1 3.3Å; D570-K572 PolarHBondContact O-N 3Å; D570-K572 VanDerWaalsContact O-N 3.13Å; D570-L573 WeakPolarHBondContact O-CA 3.49Å; D570-L573 WeakPolarHBondContact O-CB 3.47Å; D570-L573 PolarHBondContact O-N 2.91Å; D570-F574 HydrophobicContact CB-CD2 4.47Å; D570-F574 HydrophobicContact CB-CE2 4.49Å; D570-F574 WeakPolarHBondContact O-CD2 3.28Å; D570-F574 PolarHBondContact O-N 2.99Å
571	Y	87.1	Confident	78.8	Confident	135 Å²	135	82.3 Å²	82.3	53%	0.529	42%	0.416	S	S	.	.	H	α-helix	trans	-57.1	-31	178.2	82.2	-91.3	0	0	0	113.3	K569 L573 F574 L575	K569-Y571 HydrophobicContact CB-CD1 3.38Å; K569-Y571 HydrophobicContact CB-CE1 3.5Å; K569-Y571 VanDerWaalsContact CB-CE1 3.5Å; K569-Y571 HydrophobicContact CD-CD1 4.06Å; K569-Y571 HydrophobicContact CD-CE1 3.79Å; K569-Y571 HydrophobicContact CG-CD1 4.24Å; K569-Y571 HydrophobicContact CG-CE1 3.98Å; K569-Y571 PolarHBondContact O-N 3.36Å; K569-Y571 VanDerWaalsContact O-N 3.12Å; Y571-L573 VanDerWaalsContact C-N 3.34Å; Y571-F574 PolarHBondContact O-N 3.31Å; Y571-L575 WeakPolarHBondContact O-CB 3.33Å; Y571-L575 PolarHBondContact O-N 3.46Å
572	K	89.1	Confident	80.7	Confident	85 Å²	85	82.4 Å²	82.4	37%	0.37	41%	0.412	S	S	.	.	H	α-helix	trans	-69.7	-33.2	176.1	-67.9	-169.1	176.1	-174	0	111.9	I568 K569 D570 L576	I568-K572 HydrophobicContact CG2-CB 4.1Å; I568-K572 HydrophobicContact CG2-CD 4.24Å; K569-K572 PolarHBondContact O-N 3.36Å; K569-K572 VanDerWaalsContact O-N 3.09Å; D570-K572 PolarHBondContact O-N 3Å; D570-K572 VanDerWaalsContact O-N 3.13Å; K572-L576 PolarHBondContact O-N 3.08Å; K572-L576 VanDerWaalsContact O-N 3.15Å
573	L	90.1	Very high	82.4	Confident	1 Å²	1	79 Å²	79	1%	0.005	40%	0.398	C	S	.	.	H	α-helix	trans	-71.7	-43.2	175.9	-75.2	74	0	0	0	110	V495 R553 I568 D570 Y571 L575 L576 V577	V495-L573 HydrophobicContact CG2-CB 4.16Å; V495-L573 HydrophobicContact CG2-CD2 3.91Å; R553-L573 HydrophobicContact CB-CD2 4.32Å; I568-L573 HydrophobicContact CG2-CD1 3.66Å; D570-L573 WeakPolarHBondContact O-CA 3.49Å; D570-L573 WeakPolarHBondContact O-CB 3.47Å; D570-L573 PolarHBondContact O-N 2.91Å; Y571-L573 VanDerWaalsContact C-N 3.34Å; L573-L575 VanDerWaalsContact C-N 3.32Å; L573-L575 PolarHBondContact O-N 2.8Å; L573-L576 WeakPolarHBondContact O-CB 3.46Å; L573-L576 PolarHBondContact O-N 2.95Å; L573-V577 WeakPolarHBondContact O-CG2 3.39Å; L573-V577 PolarHBondContact O-N 3.31Å; L573-V577 VanDerWaalsContact O-N 3.11Å
574	F	90.9	Very high	84.3	Confident	80 Å²	80	74.2 Å²	74.2	35%	0.351	37%	0.373	S	S	.	.	H	α-helix	trans	-60.9	-40.5	172.9	-82.7	-84	0	0	0	112.4	V495 L498 D570 Y571 L576 V577 G578	V495-F574 HydrophobicContact CG2-CE2 4.46Å; L498-F574 HydrophobicContact CD1-CD1 3.93Å; L498-F574 HydrophobicContact CD1-CE1 3.55Å; D570-F574 HydrophobicContact CB-CD2 4.47Å; D570-F574 HydrophobicContact CB-CE2 4.49Å; D570-F574 WeakPolarHBondContact O-CD2 3.28Å; D570-F574 PolarHBondContact O-N 2.99Å; Y571-F574 PolarHBondContact O-N 3.31Å; F574-L576 VanDerWaalsContact C-N 3.34Å; F574-L576 PolarHBondContact O-N 2.98Å; F574-V577 PolarHBondContact O-N 3.11Å; F574-G578 PolarHBondContact O-N 2.97Å
575	L	92.6	Very high	86.3	Confident	112 Å²	112	69.4 Å²	69.4	59%	0.586	36%	0.355	S	S	*	.	H	α-helix	trans	-60.3	-43.9	175.8	-177.3	66.8	0	0	0	111.4	Y571 L573 V577 G578 V579	Y571-L575 WeakPolarHBondContact O-CB 3.33Å; Y571-L575 PolarHBondContact O-N 3.46Å; L573-L575 VanDerWaalsContact C-N 3.32Å; L573-L575 PolarHBondContact O-N 2.8Å; L575-V577 PolarHBondContact O-N 3.43Å; L575-G578 PolarHBondContact O-N 3.49Å; L575-V579 WeakPolarHBondContact O-CG2 3.42Å; L575-V579 PolarHBondContact O-N 3.31Å
576	L	91.6	Very high	88.3	Confident	48 Å²	48	63.8 Å²	63.8	25%	0.251	33%	0.334	S	S	.	.	H	α-helix	trans	-60.2	-46.4	176.7	-177.1	69.1	0	0	0	111.8	F548 W552 K572 L573 F574 G578 V579 L580	F548-L576 HydrophobicContact CD1-CD2 3.84Å; F548-L576 HydrophobicContact CD1-CG 4.46Å; F548-L576 HydrophobicContact CE1-CD1 4.4Å; F548-L576 HydrophobicContact CE1-CD2 3.89Å; F548-L576 HydrophobicContact CE1-CG 4.46Å; W552-L576 HydrophobicContact CE3-CD2 4.5Å; K572-L576 PolarHBondContact O-N 3.08Å; K572-L576 VanDerWaalsContact O-N 3.15Å; L573-L576 WeakPolarHBondContact O-CB 3.46Å; L573-L576 PolarHBondContact O-N 2.95Å; F574-L576 VanDerWaalsContact C-N 3.34Å; F574-L576 PolarHBondContact O-N 2.98Å; L576-G578 VanDerWaalsContact C-N 3.35Å; L576-V579 PolarHBondContact O-N 2.66Å; L576-L580 WeakPolarHBondContact O-CG 3.4Å; L576-L580 PolarHBondContact O-N 2.85Å
577	V	94.1	Very high	90.1	Very high	4 Å²	4	59.4 Å²	59.4	2%	0.024	32%	0.316	C	S	.	.	H	α-helix	trans	-65.2	-39.7	176	-179.6	0	0	0	0	111.3	L498 L573 F574 L575 V579 L580 L581	L498-V577 HydrophobicContact CD1-CG1 4.45Å; L498-V577 HydrophobicContact CD2-CG1 3.92Å; L573-V577 WeakPolarHBondContact O-CG2 3.39Å; L573-V577 PolarHBondContact O-N 3.31Å; L573-V577 VanDerWaalsContact O-N 3.11Å; F574-V577 PolarHBondContact O-N 3.11Å; L575-V577 PolarHBondContact O-N 3.43Å; V577-V579 VanDerWaalsContact C-N 3.35Å; V577-V579 PolarHBondContact O-N 2.9Å; V577-L580 PolarHBondContact O-N 3.33Å; V577-L581 HydrophobicContact CG1-CD1 4.08Å; V577-L581 HydrophobicContact CG1-CG 4.4Å; V577-L581 WeakPolarHBondContact O-CG 3.36Å; V577-L581 PolarHBondContact O-N 3.02Å
578	G	94.1	Very high	91.6	Very high	35 Å²	35	55.2 Å²	55.2	36%	0.361	28%	0.282	S	S	.	.	H	α-helix	trans	-61.3	-39.8	177.2	0	0	0	0	0	112.9	F574 L575 L576 L581 L582	F574-G578 PolarHBondContact O-N 2.97Å; L575-G578 PolarHBondContact O-N 3.49Å; L576-G578 VanDerWaalsContact C-N 3.35Å; G578-L581 PolarHBondContact O-N 3.13Å; G578-L582 WeakPolarHBondContact O-CB 3.47Å; G578-L582 PolarHBondContact O-N 3.22Å
579	V	95.1	Very high	92.6	Very high	73 Å²	73	57.6 Å²	57.6	44%	0.442	30%	0.296	S	S	.	.	H	α-helix	trans	-62.7	-43.6	173.8	171	0	0	0	0	111	L575 L576 V577 L581 L582 I583	L575-V579 WeakPolarHBondContact O-CG2 3.42Å; L575-V579 PolarHBondContact O-N 3.31Å; L576-V579 PolarHBondContact O-N 2.66Å; V577-V579 VanDerWaalsContact C-N 3.35Å; V577-V579 PolarHBondContact O-N 2.9Å; V579-L581 VanDerWaalsContact C-N 3.34Å; V579-L581 PolarHBondContact O-N 2.83Å; V579-L582 PolarHBondContact O-N 2.88Å; V579-I583 HydrophobicContact CG1-CD1 4.33Å; V579-I583 WeakPolarHBondContact O-CG1 3.39Å; V579-I583 PolarHBondContact O-N 3.37Å; V579-I583 VanDerWaalsContact O-N 3.11Å
580	L	95	Very high	93.2	Very high	20 Å²	20	53.8 Å²	53.8	11%	0.105	29%	0.285	C	S	.	.	H	α-helix	trans	-63.8	-39.5	178.8	-65.2	165	0	0	0	112.3	T541 L576 V577 D584 Y638 M642	T541-L580 HydrophobicContact CG2-CB 3.84Å; L576-L580 WeakPolarHBondContact O-CG 3.4Å; L576-L580 PolarHBondContact O-N 2.85Å; V577-L580 PolarHBondContact O-N 3.33Å; L580-D584 PolarHBondContact O-N 3.17Å; L580-Y638 WeakPolarHBondContact CA-OH 3.06Å; L580-Y638 VanDerWaalsContact CD2-OH 3.24Å; L580-Y638 WeakPolarHBondContact CD2-OH 3.31Å; L580-Y638 PolarHBondContact O-OH 3.05Å; L580-M642 HydrophobicContact CD1-CE 3.52Å; L580-M642 HydrophobicContact CD2-CE 4.27Å; L580-M642 HydrophobicContact CD2-SD 4.44Å; L580-M642 HydrophobicContact CG-CE 4.4Å
581	L	95.5	Very high	93.8	Very high	33 Å²	33	52 Å²	52	17%	0.173	28%	0.275	C	S	.	.	H	α-helix	trans	-69.7	-34.6	175.1	-69.7	168.6	0	0	0	112.8	F538 T541 L542 V577 G578 V579 I583 D584 S585	F538-L581 HydrophobicContact CD1-CD2 3.59Å; F538-L581 HydrophobicContact CE1-CD2 4.1Å; T541-L581 HydrophobicContact CG2-CD2 3.6Å; T541-L581 HydrophobicContact CG2-CG 3.93Å; L542-L581 HydrophobicContact CD2-CD1 3.68Å; L542-L581 HydrophobicContact CD2-CD2 4.05Å; L542-L581 HydrophobicContact CD2-CG 4.43Å; L542-L581 HydrophobicContact CG-CD2 4.13Å; V577-L581 HydrophobicContact CG1-CD1 4.08Å; V577-L581 HydrophobicContact CG1-CG 4.4Å; V577-L581 WeakPolarHBondContact O-CG 3.36Å; V577-L581 PolarHBondContact O-N 3.02Å; G578-L581 PolarHBondContact O-N 3.13Å; V579-L581 VanDerWaalsContact C-N 3.34Å; V579-L581 PolarHBondContact O-N 2.83Å; L581-I583 VanDerWaalsContact C-N 3.34Å; L581-D584 PolarHBondContact O-N 2.96Å; L581-S585 WeakPolarHBondContact O-CB 3.32Å; L581-S585 PolarHBondContact O-N 3.39Å; L581-S585 PolarHBondContact O-OG 3.08Å
582	L	95.9	Very high	94.1	Very high	105 Å²	105	48.2 Å²	48.2	55%	0.55	27%	0.266	S	S	.	.	H	α-helix	trans	-63.5	-43	175.8	-179.3	64.8	0	0	0	110.6	G578 V579 D584 S585 I586	G578-L582 WeakPolarHBondContact O-CB 3.47Å; G578-L582 PolarHBondContact O-N 3.22Å; V579-L582 PolarHBondContact O-N 2.88Å; L582-D584 VanDerWaalsContact C-N 3.35Å; L582-D584 PolarHBondContact O-N 3.15Å; L582-S585 PolarHBondContact O-N 3.08Å; L582-I586 HydrophobicContact CD1-CD1 4.42Å; L582-I586 HydrophobicContact CG-CD1 4.08Å; L582-I586 VanDerWaalsContact O-CG1 3.3Å; L582-I586 WeakPolarHBondContact O-CG1 3.4Å; L582-I586 PolarHBondContact O-N 3.09Å
583	I	95.8	Very high	94.3	Very high	63 Å²	63	50.4 Å²	50.4	32%	0.323	28%	0.28	S	S	.	.	H	α-helix	trans	-59.2	-46.7	175.5	-65.2	166.3	0	0	0	110.5	V579 L581 S585 I586 I587 Y638	V579-I583 HydrophobicContact CG1-CD1 4.33Å; V579-I583 WeakPolarHBondContact O-CG1 3.39Å; V579-I583 PolarHBondContact O-N 3.37Å; V579-I583 VanDerWaalsContact O-N 3.11Å; L581-I583 VanDerWaalsContact C-N 3.34Å; I583-S585 VanDerWaalsContact C-N 3.33Å; I583-S585 PolarHBondContact O-N 3.18Å; I583-I586 PolarHBondContact O-N 3.24Å; I583-I587 HydrophobicContact CG2-CD1 4.03Å; I583-I587 WeakPolarHBondContact O-CG1 3.46Å; I583-I587 PolarHBondContact O-N 3.35Å; I583-I587 VanDerWaalsContact O-N 3.11Å; I583-Y638 HydrophobicContact CB-CE1 4.45Å; I583-Y638 HydrophobicContact CB-CE2 4.49Å; I583-Y638 HydrophobicContact CD1-CE2 4.08Å; I583-Y638 HydrophobicContact CG2-CD1 4.32Å; I583-Y638 HydrophobicContact CG2-CD2 4.26Å; I583-Y638 HydrophobicContact CG2-CE1 3.93Å; I583-Y638 HydrophobicContact CG2-CE2 3.88Å; I583-Y638 HydrophobicContact CG2-CG 4.47Å
584	D	95.7	Very high	94.5	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-60.4	-43.3	175.8	-70.6	-35	0	0	0	112.4	F538 T541 L580 L581 L582 I586 I587 L588 Y638 K639	F538-D584 HydrophobicContact CE1-CB 4.39Å; T541-D584 VanDerWaalsContact CB-OD2 3.27Å; T541-D584 WeakPolarHBondContact CB-OD2 3.42Å; T541-D584 VanDerWaalsContact CG2-OD2 3.28Å; T541-D584 WeakPolarHBondContact CG2-OD2 3.49Å; T541-D584 PolarHBondContact OG1-OD2 3.37Å; L580-D584 PolarHBondContact O-N 3.17Å; L581-D584 PolarHBondContact O-N 2.96Å; L582-D584 VanDerWaalsContact C-N 3.35Å; L582-D584 PolarHBondContact O-N 3.15Å; D584-I586 VanDerWaalsContact C-N 3.33Å; D584-I586 PolarHBondContact O-N 3.05Å; D584-I587 PolarHBondContact O-N 2.73Å; D584-L588 WeakPolarHBondContact O-CB 3.29Å; D584-L588 VanDerWaalsContact O-CG 3.28Å; D584-L588 WeakPolarHBondContact O-CG 3.22Å; D584-L588 PolarHBondContact O-N 3.21Å; D584-Y638 VanDerWaalsContact OD1-CE1 3.25Å; D584-Y638 WeakPolarHBondContact OD1-CE1 3.33Å; D584-K639 WeakPolarHBondContact OD1-CE 3.19Å; D584-K639 IonicContact OD1-NZ 2.8Å; D584-K639 PolarHBondContact OD1-NZ 2.96Å; D584-K639 IonicContact OD2-NZ 2.94Å; D584-K639 PolarHBondContact OD2-NZ 3.14Å
585	S	95.4	Very high	94.5	Very high	36 Å²	36	51.7 Å²	51.7	25%	0.252	29%	0.294	S	S	.	.	H	α-helix	trans	-62.8	-41.4	-179.4	-55.4	0	0	0	0	111.1	F538 L581 L582 I583 V589	F538-S585 WeakPolarHBondContact CZ-OG 3.35Å; L581-S585 WeakPolarHBondContact O-CB 3.32Å; L581-S585 PolarHBondContact O-N 3.39Å; L581-S585 PolarHBondContact O-OG 3.08Å; L582-S585 PolarHBondContact O-N 3.08Å; I583-S585 VanDerWaalsContact C-N 3.33Å; I583-S585 PolarHBondContact O-N 3.18Å; S585-V589 VanDerWaalsContact O-CB 3.23Å; S585-V589 WeakPolarHBondContact O-CB 2.97Å; S585-V589 WeakPolarHBondContact O-CG2 2.75Å; S585-V589 PolarHBondContact O-N 3.4Å
586	I	96.4	Very high	94.5	Very high	97 Å²	97	49 Å²	49	50%	0.497	28%	0.284	S	S	.	.	H	α-helix	trans	-60.8	-51.3	175.8	-68.6	164.3	0	0	0	109.9	L582 I583 D584 L588 V589 T590	L582-I586 HydrophobicContact CD1-CD1 4.42Å; L582-I586 HydrophobicContact CG-CD1 4.08Å; L582-I586 VanDerWaalsContact O-CG1 3.3Å; L582-I586 WeakPolarHBondContact O-CG1 3.4Å; L582-I586 PolarHBondContact O-N 3.09Å; I583-I586 PolarHBondContact O-N 3.24Å; D584-I586 VanDerWaalsContact C-N 3.33Å; D584-I586 PolarHBondContact O-N 3.05Å; I586-L588 PolarHBondContact O-N 3.16Å; I586-V589 PolarHBondContact O-N 3.1Å; I586-T590 WeakPolarHBondContact O-CB 3.34Å; I586-T590 PolarHBondContact O-N 2.91Å; I586-T590 PolarHBondContact O-OG1 2.92Å
587	I	95	Very high	94.4	Very high	29 Å²	29	47.7 Å²	47.7	15%	0.149	28%	0.276	C	S	.	.	H	α-helix	trans	-60.9	-45.9	-178.6	-62.9	167.7	0	0	0	111.1	I583 D584 W591 L635	I583-I587 HydrophobicContact CG2-CD1 4.03Å; I583-I587 WeakPolarHBondContact O-CG1 3.46Å; I583-I587 PolarHBondContact O-N 3.35Å; I583-I587 VanDerWaalsContact O-N 3.11Å; D584-I587 PolarHBondContact O-N 2.73Å; I587-W591 PolarHBondContact O-N 2.65Å; I587-L635 HydrophobicContact CB-CD2 4.2Å; I587-L635 HydrophobicContact CD1-CD2 4.24Å; I587-L635 HydrophobicContact CG2-CD2 3.69Å; I587-L635 HydrophobicContact CG2-CG 3.86Å
588	L	95	Very high	94.2	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-70.8	-39.6	-177.3	-69.7	176	0	0	0	113.1	V533 W534 C537 F538 D584 I586 W591 V592 L635	V533-L588 HydrophobicContact CG1-CD2 3.82Å; W534-L588 HydrophobicContact CD2-CB 4.44Å; W534-L588 HydrophobicContact CD2-CD1 4.15Å; W534-L588 HydrophobicContact CG-CD1 4.12Å; W534-L588 HydrophobicContact CZ2-CB 3.77Å; C537-L588 HydrophobicContact CB-CD1 4.04Å; F538-L588 HydrophobicContact CE2-CD1 4.43Å; D584-L588 WeakPolarHBondContact O-CB 3.29Å; D584-L588 VanDerWaalsContact O-CG 3.28Å; D584-L588 WeakPolarHBondContact O-CG 3.22Å; D584-L588 PolarHBondContact O-N 3.21Å; I586-L588 PolarHBondContact O-N 3.16Å; L588-W591 HydrophobicContact CD2-CE3 4.29Å; L588-W591 WeakPolarHBondContact O-CB 3.39Å; L588-W591 PolarHBondContact O-N 3.26Å; L588-V592 WeakPolarHBondContact O-CG2 3.46Å; L588-V592 PolarHBondContact O-N 2.72Å; L588-L635 HydrophobicContact CD2-CD1 4.08Å
589	V	95.4	Very high	94	Very high	62 Å²	62	56.2 Å²	56.2	38%	0.376	30%	0.3	S	S	.	.	H	α-helix	trans	-65.5	-43.6	175.4	169.7	0	0	0	0	110.2	W534 S585 I586 W591 V592 I593	W534-V589 HydrophobicContact CH2-CG2 3.75Å; W534-V589 HydrophobicContact CZ2-CG2 4.08Å; S585-V589 VanDerWaalsContact O-CB 3.23Å; S585-V589 WeakPolarHBondContact O-CB 2.97Å; S585-V589 WeakPolarHBondContact O-CG2 2.75Å; S585-V589 PolarHBondContact O-N 3.4Å; I586-V589 PolarHBondContact O-N 3.1Å; V589-W591 VanDerWaalsContact C-N 3.28Å; V589-W591 PolarHBondContact O-N 2.6Å; V589-V592 PolarHBondContact O-N 3.08Å; V589-I593 HydrophobicContact CG1-CD1 3.61Å; V589-I593 HydrophobicContact CG1-CG1 4.39Å; V589-I593 VanDerWaalsContact O-CG1 3.3Å; V589-I593 WeakPolarHBondContact O-CG1 3.42Å; V589-I593 PolarHBondContact O-N 3.31Å
590	T	94.6	Very high	93.8	Very high	65 Å²	65	53.8 Å²	53.8	40%	0.399	29%	0.288	S	S	.	.	H	α-helix	trans	-59.4	-40.9	173.7	-58.7	0	0	0	0	111.3	I586 I593 V594 F631	I586-T590 WeakPolarHBondContact O-CB 3.34Å; I586-T590 PolarHBondContact O-N 2.91Å; I586-T590 PolarHBondContact O-OG1 2.92Å; T590-I593 PolarHBondContact O-N 3.35Å; T590-V594 HydrophobicContact CG2-CG2 3.88Å; T590-V594 VanDerWaalsContact O-CB 3.29Å; T590-V594 WeakPolarHBondContact O-CB 3.43Å; T590-V594 VanDerWaalsContact O-CG2 3.27Å; T590-V594 WeakPolarHBondContact O-CG2 3.31Å; T590-V594 PolarHBondContact O-N 2.65Å; T590-F631 HydrophobicContact CG2-CE1 4.13Å
591	W	94.8	Very high	93.5	Very high	8 Å²	8	56.1 Å²	56.1	3%	0.03	30%	0.303	C	S	.	.	H	α-helix	trans	-60.5	-49.9	176.4	-167	-4	0	0	0	111.8	V533 I587 L588 V589 I593 V594 D595 M597 A628 F631 Q632 L635	V533-W591 HydrophobicContact CG1-CE3 4.44Å; V533-W591 HydrophobicContact CG1-CZ3 3.87Å; I587-W591 PolarHBondContact O-N 2.65Å; L588-W591 HydrophobicContact CD2-CE3 4.29Å; L588-W591 WeakPolarHBondContact O-CB 3.39Å; L588-W591 PolarHBondContact O-N 3.26Å; V589-W591 VanDerWaalsContact C-N 3.28Å; V589-W591 PolarHBondContact O-N 2.6Å; W591-I593 VanDerWaalsContact C-N 3.29Å; W591-I593 PolarHBondContact O-N 3.34Å; W591-V594 PolarHBondContact O-N 3.07Å; W591-D595 VanDerWaalsContact CD1-O 3.32Å; W591-D595 CarbonylContact O-C 3.59Å; W591-D595 VanDerWaalsContact O-C 3.26Å; W591-D595 PolarHBondContact O-N 2.83Å; W591-M597 HydrophobicContact CD2-CE 3.83Å; W591-M597 HydrophobicContact CE3-CE 3.99Å; W591-M597 HydrophobicContact CH2-CE 3.61Å; W591-M597 HydrophobicContact CZ2-CE 3.41Å; W591-M597 VanDerWaalsContact CZ2-CE 3.41Å; W591-M597 HydrophobicContact CZ3-CE 3.89Å; W591-A628 HydrophobicContact CZ2-CB 4.24Å; W591-F631 HydrophobicContact CB-CB 4.46Å; W591-F631 HydrophobicContact CB-CD1 3.64Å; W591-F631 HydrophobicContact CB-CD2 4.4Å; W591-F631 HydrophobicContact CB-CE1 3.89Å; W591-F631 HydrophobicContact CB-CG 3.92Å; W591-F631 HydrophobicContact CB-CZ 4.37Å; W591-F631 AromaticContact CD1-CD2 3.45Å; W591-F631 VanDerWaalsContact CD1-CD2 3.45Å; W591-F631 AromaticContact CD1-CE2 3.81Å; W591-F631 AromaticContact CD1-CG 3.7Å; W591-F631 HydrophobicContact CD2-CB 3.41Å; W591-F631 VanDerWaalsContact CD2-CB 3.41Å; W591-F631 HydrophobicContact CD2-CD1 4.28Å; W591-F631 HydrophobicContact CD2-CD2 4.17Å; W591-F631 AromaticContact CD2-CG 3.71Å; W591-F631 HydrophobicContact CD2-CG 3.71Å; W591-F631 AromaticContact CE2-CG 4Å; W591-F631 HydrophobicContact CE3-CB 3.62Å; W591-F631 HydrophobicContact CE3-CG 4.31Å; W591-F631 HydrophobicContact CG-CB 3.82Å; W591-F631 AromaticContact CG-CD1 3.8Å; W591-F631 HydrophobicContact CG-CD1 3.8Å; W591-F631 AromaticContact CG-CD2 3.79Å; W591-F631 HydrophobicContact CG-CD2 3.79Å; W591-F631 HydrophobicContact CG-CE1 4.3Å; W591-F631 HydrophobicContact CG-CE2 4.29Å; W591-F631 AromaticContact CG-CG 3.52Å; W591-F631 HydrophobicContact CG-CG 3.52Å; W591-F631 HydrophobicContact CH2-CB 4.16Å; W591-F631 HydrophobicContact CZ2-CB 3.97Å; W591-F631 HydrophobicContact CZ3-CB 3.99Å; W591-F631 AromaticContact NE1-CD2 3.65Å; W591-F631 AromaticContact NE1-CG 3.99Å; W591-Q632 HydrophobicContact CH2-CG 3.81Å; W591-Q632 HydrophobicContact CZ2-CG 4.5Å; W591-L635 HydrophobicContact CE3-CD1 4.14Å; W591-L635 HydrophobicContact CZ3-CD1 3.76Å
592	V	93.2	Very high	93	Very high	56 Å²	56	58 Å²	58	34%	0.339	31%	0.31	S	S	.	.	H	α-helix	trans	-62.4	-35.6	-179.2	173.6	0	0	0	0	112.4	T530 W534 L588 V589	T530-V592 HydrophobicContact CG2-CG2 3.56Å; W534-V592 HydrophobicContact CZ2-CG2 4.27Å; L588-V592 WeakPolarHBondContact O-CG2 3.46Å; L588-V592 PolarHBondContact O-N 2.72Å; V589-V592 PolarHBondContact O-N 3.08Å
593	I	94	Very high	92.5	Very high	130 Å²	130	62.1 Å²	62.1	67%	0.667	32%	0.318	S	S	*	.	H	α-helix	trans	-76.9	-45.6	-179.5	-66.4	170.3	0	0	0	111.7	V589 T590 W591	V589-I593 HydrophobicContact CG1-CD1 3.61Å; V589-I593 HydrophobicContact CG1-CG1 4.39Å; V589-I593 VanDerWaalsContact O-CG1 3.3Å; V589-I593 WeakPolarHBondContact O-CG1 3.42Å; V589-I593 PolarHBondContact O-N 3.31Å; T590-I593 PolarHBondContact O-N 3.35Å; W591-I593 VanDerWaalsContact C-N 3.29Å; W591-I593 PolarHBondContact O-N 3.34Å
594	V	94	Very high	91.9	Very high	93 Å²	93	60 Å²	60	56%	0.564	31%	0.307	S	S	*	.	H	α-helix	trans	-79.5	-41.4	-173.4	175.4	0	0	0	0	111.6	T590 W591 F631	T590-V594 HydrophobicContact CG2-CG2 3.88Å; T590-V594 VanDerWaalsContact O-CB 3.29Å; T590-V594 WeakPolarHBondContact O-CB 3.43Å; T590-V594 VanDerWaalsContact O-CG2 3.27Å; T590-V594 WeakPolarHBondContact O-CG2 3.31Å; T590-V594 PolarHBondContact O-N 2.65Å; W591-V594 PolarHBondContact O-N 3.07Å; V594-F631 HydrophobicContact CB-CZ 4.12Å; V594-F631 HydrophobicContact CG1-CZ 4.25Å
595	D	91.9	Very high	91	Very high	16 Å²	16	65.1 Å²	65.1	9%	0.086	34%	0.34	C	S	.	.	S	Bend	trans	-146.6	76.2	-172.4	-174.7	20.7	0	0	0	111.1	W591 M597 A625 E626 H627 F631	W591-D595 VanDerWaalsContact CD1-O 3.32Å; W591-D595 CarbonylContact O-C 3.59Å; W591-D595 VanDerWaalsContact O-C 3.26Å; W591-D595 PolarHBondContact O-N 2.83Å; D595-M597 PolarHBondContact O-N 3.06Å; D595-A625 WeakPolarHBondContact OD2-CB 3.34Å; D595-E626 PolarHBondContact OD1-N 3.15Å; D595-E626 PolarHBondContact OD2-N 3.39Å; D595-H627 WeakPolarHBondContact OD2-CA 3.27Å; D595-H627 PolarHBondContact OD2-N 3.18Å; D595-F631 HydrophobicContact CB-CE2 4.13Å
596	P	91.6	Very high	89.6	Confident	56 Å²	56	67.6 Å²	67.6	36%	0.364	35%	0.354	S	S	.	.			trans	-65.8	132.1	-177.2	26.1	-34.1	0	0	0	111.5	R598	P596-R598 PolarHBondContact O-N 3.12Å
597	M	90.3	Very high	88	Confident	19 Å²	19	67.4 Å²	67.4	9%	0.094	35%	0.354	C	S	.	.			trans	-65.6	130	177.2	-61.2	174.2	-161.2	0	0	111	C529 V533 W591 D595 A625	C529-M597 HydrophobicContact CB-CB 4.02Å; C529-M597 HydrophobicContact CB-SD 4.26Å; V533-M597 HydrophobicContact CB-CE 4.23Å; V533-M597 HydrophobicContact CG2-CE 3.7Å; V533-M597 HydrophobicContact CG2-SD 4.17Å; W591-M597 HydrophobicContact CD2-CE 3.83Å; W591-M597 HydrophobicContact CE3-CE 3.99Å; W591-M597 HydrophobicContact CH2-CE 3.61Å; W591-M597 HydrophobicContact CZ2-CE 3.41Å; W591-M597 VanDerWaalsContact CZ2-CE 3.41Å; W591-M597 HydrophobicContact CZ3-CE 3.89Å; D595-M597 PolarHBondContact O-N 3.06Å; M597-A625 HydrophobicContact CG-CB 4.24Å
598	R	90.2	Very high	86.2	Confident	175 Å²	175	74.4 Å²	74.4	66%	0.66	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	152.5	176	-62	-178	-176.4	175	1.8	110.9	P596 A600 K624	P596-R598 PolarHBondContact O-N 3.12Å; R598-A600 PolarHBondContact O-N 3.28Å; R598-K624 PolarHBondContact N-O 3.45Å; R598-K624 PolarHBondContact O-N 2.99Å
599	L	90	Very high	84.2	Confident	43 Å²	43	82.6 Å²	82.6	23%	0.225	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	121.3	167	174.8	60.8	0	0	0	109.2	T517 E522 F525 S526 E621	T517-L599 HydrophobicContact CG2-CD1 4.44Å; T517-L599 HydrophobicContact CG2-CD2 4.05Å; E522-L599 HydrophobicContact CB-CD2 3.89Å; E522-L599 HydrophobicContact CG-CD2 4Å; F525-L599 HydrophobicContact CD1-CB 3.98Å; F525-L599 HydrophobicContact CD1-CD1 3.51Å; F525-L599 HydrophobicContact CD1-CD2 4.49Å; F525-L599 HydrophobicContact CD1-CG 4.17Å; F525-L599 HydrophobicContact CE1-CD1 3.64Å; F525-L599 HydrophobicContact CG-CD1 4.38Å; S526-L599 PolarHBondContact OG-N 3.06Å; L599-E621 HydrophobicContact CD1-CB 4.14Å; L599-E621 HydrophobicContact CD1-CG 4.22Å
600	A	89.4	Confident	82.2	Confident	23 Å²	23	86.7 Å²	86.7	19%	0.19	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	152.2	168.5	0	0	0	0	0	109.8	R598 Q622 K624	R598-A600 PolarHBondContact O-N 3.28Å; A600-Q622 HydrophobicContact CB-CG 4.04Å; A600-Q622 PolarHBondContact N-O 3.2Å; A600-Q622 VanDerWaalsContact O-CG 3.32Å; A600-Q622 WeakPolarHBondContact O-CG 3.4Å; A600-Q622 PolarHBondContact O-N 2.57Å; A600-Q622 VanDerWaalsContact O-O 3.12Å; A600-K624 HydrophobicContact CB-CB 3.58Å; A600-K624 HydrophobicContact CB-CD 4.04Å; A600-K624 HydrophobicContact CB-CG 4.44Å
601	V	89	Confident	80.3	Confident	69 Å²	69	88.1 Å²	88.1	42%	0.418	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	115.9	179.1	-179.6	0	0	0	0	108.4	T619 V620	V601-T619 VanDerWaalsContact CG1-CB 3.47Å; V601-T619 HydrophobicContact CG1-CG2 4Å; V601-V620 CarbonylContact C-O 3.26Å; V601-V620 WeakPolarHBondContact CA-O 3.39Å
602	K	86.3	Confident	78.6	Confident	73 Å²	73	89.5 Å²	89.5	32%	0.317	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	128.9	174.9	-172.7	-177.6	179.2	-171.9	0	108.8	T619 V620 Q622 D690	K602-T619 CarbonylContact O-C 3.55Å; K602-T619 WeakPolarHBondContact O-CA 3.06Å; K602-V620 HydrophobicContact CB-CG2 3.81Å; K602-V620 HydrophobicContact CD-CG2 4.46Å; K602-V620 PolarHBondContact N-O 3.45Å; K602-V620 PolarHBondContact O-N 3.39Å; K602-Q622 HydrophobicContact CB-CG 4.38Å; K602-D690 IonicContact NZ-OD1 3.61Å; K602-D690 PolarHBondContact NZ-OD1 3.24Å
603	R	85.7	Confident	77.2	Confident	190 Å²	190	89.4 Å²	89.4	72%	0.717	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	127.5	171.9	-63.2	-178	-176.8	177.7	0.6	108.9	T619	R603-T619 HydrophobicContact CG-CG2 4.21Å
604	L	81.4	Confident	76	Confident	19 Å²	19	85.2 Å²	85.2	10%	0.099	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-88.4	162.3	172.7	-70.9	172.3	0	0	0	109.7	T606 P618 V620 D690	L604-T606 PolarHBondContact O-N 3.01Å; L604-P618 HydrophobicContact CB-CB 4.19Å; L604-P618 HydrophobicContact CB-CG 3.83Å; L604-P618 WeakPolarHBondContact CB-O 3.22Å; L604-P618 HydrophobicContact CD1-CB 4.23Å; L604-P618 PolarHBondContact N-O 2.98Å; L604-V620 HydrophobicContact CD1-CG1 3.57Å; L604-V620 HydrophobicContact CD2-CG2 4.49Å; L604-V620 HydrophobicContact CG-CG1 4.23Å; L604-V620 HydrophobicContact CG-CG2 4.33Å; L604-D690 HydrophobicContact CD2-CB 4.15Å
605	P	76.6	Confident	74.9	Confident	108 Å²	108	82.5 Å²	82.5	70%	0.701	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-52.3	136.7	176.5	-25.8	34.3	0	0	0	111.8	L607	P605-L607 PolarHBondContact O-N 2.95Å
606	T	67.2	Low	74.1	Confident	87 Å²	87	83.8 Å²	83.8	53%	0.534	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-65.3	127.1	-177	59.8	0	0	0	0	109.8	L604 N617	L604-T606 PolarHBondContact O-N 3.01Å; T606-N617 WeakPolarHBondContact CB-OD1 3.05Å; T606-N617 WeakPolarHBondContact CG2-OD1 3.14Å
607	L	63.1	Low	73.5	Confident	94 Å²	94	82 Å²	82	49%	0.492	41%	0.414	S	S	.	.	B	Isolated β-bridge	trans	-95	102	175.2	-78.8	155.8	0	0	0	106.8	P605 R609 I616 P618	P605-L607 PolarHBondContact O-N 2.95Å; L607-R609 VanDerWaalsContact C-N 3.28Å; L607-R609 PolarHBondContact O-N 2.93Å; L607-I616 PolarHBondContact N-O 3.05Å; L607-P618 HydrophobicContact CD1-CG 4.18Å
608	K	55.9	Low	73.3	Confident	176 Å²	176	81.2 Å²	81.2	77%	0.765	41%	0.411	S	S	*	.			trans	-66.8	91.2	167.8	-73.3	-170.8	179.1	-173.9	0	108.1	T610	K608-T610 PolarHBondContact O-N 3.42Å
609	R	54.3	Low	73.2	Confident	173 Å²	173	73.3 Å²	73.3	65%	0.653	38%	0.382	S	S	*	.			trans	-72.8	128.1	170.7	-160.9	173.5	-167.2	165.6	2.5	107.6	L607 T611 I616	L607-R609 VanDerWaalsContact C-N 3.28Å; L607-R609 PolarHBondContact O-N 2.93Å; R609-T611 PolarHBondContact O-N 3.01Å; R609-I616 HydrophobicContact CB-CD1 4.5Å
610	T	53.5	Low	73.2	Confident	148 Å²	148	71.7 Å²	71.7	91%	0.908	37%	0.374	S	S	*	.	S	Bend	trans	-63	11.7	-173.2	-29.4	0	0	0	0	115	K608 A612	K608-T610 PolarHBondContact O-N 3.42Å; T610-A612 PolarHBondContact O-N 3.27Å
611	T	54.9	Low	73.2	Confident	94 Å²	94	72.3 Å²	72.3	58%	0.577	37%	0.373	S	S	*	.	S	Bend	trans	-98.6	74.5	176.8	50.3	0	0	0	0	109.9	R609 N613	R609-T611 PolarHBondContact O-N 3.01Å; T611-N613 VanDerWaalsContact C-N 3.28Å; T611-N613 PolarHBondContact O-N 3.1Å
612	A	58.6	Low	73.1	Confident	37 Å²	37	72.4 Å²	72.4	31%	0.306	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	35.2	-35.8	159.8	0	0	0	0	0	123.2	R240 E266 T610	R240-A612 PolarHBondContact NH1-O 3.13Å; R240-A612 VanDerWaalsContact NH1-O 3.13Å; R240-A612 PolarHBondContact NH2-O 3.3Å; E266-A612 HydrophobicContact CG-CB 4.12Å; E266-A612 WeakPolarHBondContact OE1-CA 3.35Å; E266-A612 WeakPolarHBondContact OE1-CB 3.25Å; T610-A612 PolarHBondContact O-N 3.27Å
613	N	63.6	Low	73.4	Confident	55 Å²	55	71.4 Å²	71.4	29%	0.294	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.7	-2.6	-165	-63.5	-16.6	0	0	0	114.7	R240 Q445 T611	R240-N613 PolarHBondContact NH1-OD1 3.43Å; Q445-N613 PolarHBondContact N-O 3.08Å; T611-N613 VanDerWaalsContact C-N 3.28Å; T611-N613 PolarHBondContact O-N 3.1Å
614	V	68.5	Low	73.6	Confident	42 Å²	42	68.5 Å²	68.5	26%	0.255	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	123.5	-172.6	-176.3	0	0	0	0	111.7	Q445 L447 I616	Q445-V614 CarbonylContact O-C 3.4Å; Q445-V614 WeakPolarHBondContact O-CA 3.27Å; L447-V614 HydrophobicContact CB-CG1 4.16Å; L447-V614 HydrophobicContact CD1-CG1 3.41Å; L447-V614 VanDerWaalsContact CD1-CG1 3.41Å; L447-V614 HydrophobicContact CG-CG1 3.67Å; V614-I616 HydrophobicContact CG1-CG1 4.22Å
615	I	70.8	Confident	74	Confident	35 Å²	35	68.1 Å²	68.1	18%	0.179	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	118.7	170.9	-60.1	175	0	0	0	107.6	T444 Q445 E446 L447 N617	T444-I615 HydrophobicContact CG2-CD1 4.14Å; T444-I615 HydrophobicContact CG2-CG1 4.27Å; Q445-I615 PolarHBondContact O-N 3.38Å; E446-I615 WeakPolarHBondContact CA-O 3.48Å; L447-I615 PolarHBondContact N-O 3.18Å; I615-N617 WeakPolarHBondContact CG2-OD1 3.38Å
616	I	74.4	Confident	74.7	Confident	44 Å²	44	70.7 Å²	70.7	23%	0.226	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	118.7	178	-58.2	174.7	0	0	0	108.7	L447 V449 L607 R609 V614 P618	L447-I616 WeakPolarHBondContact O-CA 3.28Å; V449-I616 HydrophobicContact CB-CG2 4.23Å; V449-I616 HydrophobicContact CG2-CG2 3.84Å; L607-I616 PolarHBondContact N-O 3.05Å; R609-I616 HydrophobicContact CB-CD1 4.5Å; V614-I616 HydrophobicContact CG1-CG1 4.22Å; I616-P618 WeakPolarHBondContact O-CD 3.15Å
617	N	80.5	Confident	75.8	Confident	17 Å²	17	70.9 Å²	70.9	9%	0.091	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	91.9	178.2	-69.5	-16.4	0	0	0	109	E446 L447 F448 V449 T606 I615	E446-N617 PolarHBondContact OE2-ND2 3.46Å; L447-N617 PolarHBondContact O-N 2.95Å; F448-N617 WeakPolarHBondContact CA-O 3.14Å; F448-N617 HydrophobicContact CD1-CB 3.64Å; F448-N617 HydrophobicContact CE1-CB 3.74Å; F448-N617 HydrophobicContact CG-CB 4.42Å; V449-N617 PolarHBondContact N-O 2.61Å; V449-N617 VanDerWaalsContact N-O 3.16Å; T606-N617 WeakPolarHBondContact CB-OD1 3.05Å; T606-N617 WeakPolarHBondContact CG2-OD1 3.14Å; I615-N617 WeakPolarHBondContact CG2-OD1 3.38Å
618	P	84.6	Confident	77	Confident	3 Å²	3	67.4 Å²	67.4	2%	0.019	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	141.2	-179.8	25.3	-32.2	0	0	0	111.6	V449 R451 L604 L607 I616	V449-P618 CarbonylContact O-C 3.41Å; V449-P618 WeakPolarHBondContact O-CA 3.49Å; R451-P618 HydrophobicContact CG-CB 4.49Å; L604-P618 HydrophobicContact CB-CB 4.19Å; L604-P618 HydrophobicContact CB-CG 3.83Å; L604-P618 WeakPolarHBondContact CB-O 3.22Å; L604-P618 HydrophobicContact CD1-CB 4.23Å; L604-P618 PolarHBondContact N-O 2.98Å; L607-P618 HydrophobicContact CD1-CG 4.18Å; I616-P618 WeakPolarHBondContact O-CD 3.15Å
619	T	88.8	Confident	78.7	Confident	9 Å²	9	64.6 Å²	64.6	6%	0.055	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	148	178	58.6	0	0	0	0	111.4	F448 V449 R450 R451 V601 K602 R603	F448-T619 HydrophobicContact CD1-CG2 4.31Å; V449-T619 PolarHBondContact O-N 3.11Å; V449-T619 PolarHBondContact O-OG1 3.44Å; R450-T619 CarbonylContact C-O 3.29Å; R450-T619 WeakPolarHBondContact CA-O 3.37Å; R450-T619 WeakPolarHBondContact CG-OG1 3.46Å; R451-T619 PolarHBondContact N-O 3.28Å; V601-T619 VanDerWaalsContact CG1-CB 3.47Å; V601-T619 HydrophobicContact CG1-CG2 4Å; K602-T619 CarbonylContact O-C 3.55Å; K602-T619 WeakPolarHBondContact O-CA 3.06Å; R603-T619 HydrophobicContact CG-CG2 4.21Å
620	V	90	Very high	80.5	Confident	9 Å²	9	60.6 Å²	60.6	6%	0.055	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	146.3	177.9	-66.6	0	0	0	0	111.2	R451 V601 K602 L604 V692	R451-V620 HydrophobicContact CB-CG1 4.04Å; V601-V620 CarbonylContact C-O 3.26Å; V601-V620 WeakPolarHBondContact CA-O 3.39Å; K602-V620 HydrophobicContact CB-CG2 3.81Å; K602-V620 HydrophobicContact CD-CG2 4.46Å; K602-V620 PolarHBondContact N-O 3.45Å; K602-V620 PolarHBondContact O-N 3.39Å; L604-V620 HydrophobicContact CD1-CG1 3.57Å; L604-V620 HydrophobicContact CD2-CG2 4.49Å; L604-V620 HydrophobicContact CG-CG1 4.23Å; L604-V620 HydrophobicContact CG-CG2 4.33Å; V620-V692 HydrophobicContact CB-CG2 4.24Å; V620-V692 HydrophobicContact CG1-CG2 3.58Å
621	E	89.7	Confident	82.4	Confident	37 Å²	37	54.5 Å²	54.5	17%	0.173	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	131.5	177.9	-64.6	177.4	172.1	0	0	110.5	Y452 T517 L599	Y452-E621 WeakPolarHBondContact CE1-OE1 3.5Å; Y452-E621 PolarHBondContact OH-OE1 2.82Å; T517-E621 WeakPolarHBondContact CB-OE1 3.36Å; T517-E621 VanDerWaalsContact CG2-CD 3.47Å; T517-E621 VanDerWaalsContact CG2-OE1 3.26Å; T517-E621 WeakPolarHBondContact CG2-OE1 3.24Å; T517-E621 VanDerWaalsContact CG2-OE2 3.3Å; T517-E621 WeakPolarHBondContact CG2-OE2 3.45Å; T517-E621 PolarHBondContact N-OE2 2.95Å; T517-E621 VanDerWaalsContact OG1-CD 3.27Å; T517-E621 PolarHBondContact OG1-OE1 3.37Å; T517-E621 PolarHBondContact OG1-OE2 3.35Å; L599-E621 HydrophobicContact CD1-CB 4.14Å; L599-E621 HydrophobicContact CD1-CG 4.22Å
622	Q	88	Confident	84.1	Confident	70 Å²	70	53.1 Å²	53.1	33%	0.327	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	144.8	178.1	60.6	176.6	5.9	0	0	110.7	A600 K602 K624	A600-Q622 HydrophobicContact CB-CG 4.04Å; A600-Q622 PolarHBondContact N-O 3.2Å; A600-Q622 VanDerWaalsContact O-CG 3.32Å; A600-Q622 WeakPolarHBondContact O-CG 3.4Å; A600-Q622 PolarHBondContact O-N 2.57Å; A600-Q622 VanDerWaalsContact O-O 3.12Å; K602-Q622 HydrophobicContact CB-CG 4.38Å; Q622-K624 PolarHBondContact O-N 2.83Å
623	C	90.8	Very high	85.7	Confident	52 Å²	52	53.4 Å²	53.4	35%	0.351	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	102.6	168.1	-58	0	0	0	0	107.8	C529	C529-C623 VanDerWaalsContact CA-SG 3.54Å; C529-C623 HydrophobicContact CB-CB 3.6Å; C529-C623 WeakPolarHBondContact CB-SG 3.32Å; C529-C623 WeakPolarHBondContact SG-CB 3.45Å; C529-C623 CovalentContact SG-SG 2.03Å; C529-C623 PolarHBondContact SG-SG 3.18Å
624	K	90.5	Very high	87.1	Confident	129 Å²	129	55.4 Å²	55.4	56%	0.561	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.8	137.3	-177.5	-172.7	178.6	179.2	-174	0	110.7	R598 A600 Q622	R598-K624 PolarHBondContact N-O 3.45Å; R598-K624 PolarHBondContact O-N 2.99Å; A600-K624 HydrophobicContact CB-CB 3.58Å; A600-K624 HydrophobicContact CB-CD 4.04Å; A600-K624 HydrophobicContact CB-CG 4.44Å; Q622-K624 PolarHBondContact O-N 2.83Å
625	A	90.8	Very high	88.3	Confident	12 Å²	12	54.1 Å²	54.1	10%	0.099	29%	0.293	C	S	.	.			trans	-138	143.6	171.8	0	0	0	0	0	106.6	D595 M597 H627 A628	D595-A625 WeakPolarHBondContact OD2-CB 3.34Å; M597-A625 HydrophobicContact CG-CB 4.24Å; A625-H627 VanDerWaalsContact C-N 3.33Å; A625-H627 PolarHBondContact O-N 3.37Å; A625-A628 HydrophobicContact CB-CB 3.95Å
626	E	90.1	Very high	89.4	Confident	161 Å²	161	57.5 Å²	57.5	75%	0.752	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-34	-171.4	-167.9	176.2	164.4	0	0	112.5	D595	D595-E626 PolarHBondContact OD1-N 3.15Å; D595-E626 PolarHBondContact OD2-N 3.39Å
627	H	90.7	Very high	90.3	Very high	92 Å²	92	57.3 Å²	57.3	43%	0.426	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	28.3	-176.3	-57.5	-26.7	0	0	0	111.6	D595 A625 V629 V630	D595-H627 WeakPolarHBondContact OD2-CA 3.27Å; D595-H627 PolarHBondContact OD2-N 3.18Å; A625-H627 VanDerWaalsContact C-N 3.33Å; A625-H627 PolarHBondContact O-N 3.37Å; H627-V629 PolarHBondContact O-N 3.01Å; H627-V629 VanDerWaalsContact O-N 3.12Å; H627-V630 HydrophobicContact CB-CG2 4.46Å; H627-V630 WeakPolarHBondContact O-CB 3.47Å; H627-V630 PolarHBondContact O-N 3.04Å
628	A	88.4	Confident	91	Very high	21 Å²	21	58.4 Å²	58.4	17%	0.174	32%	0.316	C	S	.	.	H	α-helix	trans	-51.7	-38.3	-179.2	0	0	0	0	0	113.4	W591 A625 V630 F631 Q632	W591-A628 HydrophobicContact CZ2-CB 4.24Å; A625-A628 HydrophobicContact CB-CB 3.95Å; A628-V630 VanDerWaalsContact C-N 3.29Å; A628-V630 PolarHBondContact O-N 3.31Å; A628-F631 PolarHBondContact O-N 2.97Å; A628-Q632 WeakPolarHBondContact O-CB 3.42Å; A628-Q632 VanDerWaalsContact O-CG 3.22Å; A628-Q632 WeakPolarHBondContact O-CG 3.47Å; A628-Q632 PolarHBondContact O-N 3.34Å
629	V	90.4	Very high	91.4	Very high	117 Å²	117	59.3 Å²	59.3	71%	0.709	32%	0.32	S	S	*	.	H	α-helix	trans	-61.4	-37.2	-179.3	-179.5	0	0	0	0	111.8	H627 G633	H627-V629 PolarHBondContact O-N 3.01Å; H627-V629 VanDerWaalsContact O-N 3.12Å; V629-G633 PolarHBondContact O-N 2.64Å
630	V	93.2	Very high	91.6	Very high	89 Å²	89	60.4 Å²	60.4	54%	0.539	33%	0.332	S	S	.	.	H	α-helix	trans	-66.6	-49.9	-179.6	-179.3	0	0	0	0	110	H627 A628 G633 L634	H627-V630 HydrophobicContact CB-CG2 4.46Å; H627-V630 WeakPolarHBondContact O-CB 3.47Å; H627-V630 PolarHBondContact O-N 3.04Å; A628-V630 VanDerWaalsContact C-N 3.29Å; A628-V630 PolarHBondContact O-N 3.31Å; V630-G633 PolarHBondContact O-N 3.22Å; V630-L634 HydrophobicContact CG1-CD1 4.44Å; V630-L634 WeakPolarHBondContact O-CG 3.14Å; V630-L634 PolarHBondContact O-N 2.87Å
631	F	92.7	Very high	91.8	Very high	19 Å²	19	65.1 Å²	65.1	8%	0.083	36%	0.356	C	S	.	.	H	α-helix	trans	-68.2	-38.7	179.8	-68.7	-77.3	0	0	0	112.7	T590 W591 V594 D595 A628 L634 L635	T590-F631 HydrophobicContact CG2-CE1 4.13Å; W591-F631 HydrophobicContact CB-CB 4.46Å; W591-F631 HydrophobicContact CB-CD1 3.64Å; W591-F631 HydrophobicContact CB-CD2 4.4Å; W591-F631 HydrophobicContact CB-CE1 3.89Å; W591-F631 HydrophobicContact CB-CG 3.92Å; W591-F631 HydrophobicContact CB-CZ 4.37Å; W591-F631 AromaticContact CD1-CD2 3.45Å; W591-F631 VanDerWaalsContact CD1-CD2 3.45Å; W591-F631 AromaticContact CD1-CE2 3.81Å; W591-F631 AromaticContact CD1-CG 3.7Å; W591-F631 HydrophobicContact CD2-CB 3.41Å; W591-F631 VanDerWaalsContact CD2-CB 3.41Å; W591-F631 HydrophobicContact CD2-CD1 4.28Å; W591-F631 HydrophobicContact CD2-CD2 4.17Å; W591-F631 AromaticContact CD2-CG 3.71Å; W591-F631 HydrophobicContact CD2-CG 3.71Å; W591-F631 AromaticContact CE2-CG 4Å; W591-F631 HydrophobicContact CE3-CB 3.62Å; W591-F631 HydrophobicContact CE3-CG 4.31Å; W591-F631 HydrophobicContact CG-CB 3.82Å; W591-F631 AromaticContact CG-CD1 3.8Å; W591-F631 HydrophobicContact CG-CD1 3.8Å; W591-F631 AromaticContact CG-CD2 3.79Å; W591-F631 HydrophobicContact CG-CD2 3.79Å; W591-F631 HydrophobicContact CG-CE1 4.3Å; W591-F631 HydrophobicContact CG-CE2 4.29Å; W591-F631 AromaticContact CG-CG 3.52Å; W591-F631 HydrophobicContact CG-CG 3.52Å; W591-F631 HydrophobicContact CH2-CB 4.16Å; W591-F631 HydrophobicContact CZ2-CB 3.97Å; W591-F631 HydrophobicContact CZ3-CB 3.99Å; W591-F631 AromaticContact NE1-CD2 3.65Å; W591-F631 AromaticContact NE1-CG 3.99Å; V594-F631 HydrophobicContact CB-CZ 4.12Å; V594-F631 HydrophobicContact CG1-CZ 4.25Å; D595-F631 HydrophobicContact CB-CE2 4.13Å; A628-F631 PolarHBondContact O-N 2.97Å; F631-L634 PolarHBondContact O-N 3.26Å; F631-L635 WeakPolarHBondContact O-CG 3.46Å; F631-L635 PolarHBondContact O-N 2.01Å
632	Q	91.4	Very high	92	Very high	65 Å²	65	63.8 Å²	63.8	30%	0.304	35%	0.35	S	S	.	.	H	α-helix	trans	-61.5	-44	172.2	-73.8	174.9	-10.2	0	0	111.5	W591 A628 L635 Y636	W591-Q632 HydrophobicContact CH2-CG 3.81Å; W591-Q632 HydrophobicContact CZ2-CG 4.5Å; A628-Q632 WeakPolarHBondContact O-CB 3.42Å; A628-Q632 VanDerWaalsContact O-CG 3.22Å; A628-Q632 WeakPolarHBondContact O-CG 3.47Å; A628-Q632 PolarHBondContact O-N 3.34Å; Q632-L635 PolarHBondContact O-N 3.09Å; Q632-Y636 HydrophobicContact CB-CD2 4.42Å; Q632-Y636 HydrophobicContact CB-CE2 4.18Å; Q632-Y636 WeakPolarHBondContact O-CB 3.31Å; Q632-Y636 VanDerWaalsContact O-CD2 3.29Å; Q632-Y636 WeakPolarHBondContact O-CD2 3.42Å; Q632-Y636 PolarHBondContact O-N 2.93Å
633	G	91.9	Very high	92.2	Very high	43 Å²	43	61.4 Å²	61.4	44%	0.443	34%	0.339	S	S	.	.	H	α-helix	trans	-61.4	-43.7	176.4	0	0	0	0	0	112.8	V629 V630 G637	V629-G633 PolarHBondContact O-N 2.64Å; V630-G633 PolarHBondContact O-N 3.22Å; G633-G637 PolarHBondContact O-N 3.48Å
634	L	94.1	Very high	92.3	Very high	97 Å²	97	63.7 Å²	63.7	51%	0.508	35%	0.352	S	S	.	.	H	α-helix	trans	-61.3	-46.2	175.2	-73.3	173.2	0	0	0	112	V630 F631 Y638	V630-L634 HydrophobicContact CG1-CD1 4.44Å; V630-L634 WeakPolarHBondContact O-CG 3.14Å; V630-L634 PolarHBondContact O-N 2.87Å; F631-L634 PolarHBondContact O-N 3.26Å; L634-Y638 WeakPolarHBondContact O-CB 3.41Å; L634-Y638 PolarHBondContact O-N 3.47Å
635	L	93.4	Very high	92.4	Very high	15 Å²	15	61.6 Å²	61.6	8%	0.079	35%	0.346	C	S	.	.	H	α-helix	trans	-64.1	-52.4	177.8	-74.9	172	0	0	0	111.5	I587 L588 W591 F631 Q632 G637 Y638 K639	I587-L635 HydrophobicContact CB-CD2 4.2Å; I587-L635 HydrophobicContact CD1-CD2 4.24Å; I587-L635 HydrophobicContact CG2-CD2 3.69Å; I587-L635 HydrophobicContact CG2-CG 3.86Å; L588-L635 HydrophobicContact CD2-CD1 4.08Å; W591-L635 HydrophobicContact CE3-CD1 4.14Å; W591-L635 HydrophobicContact CZ3-CD1 3.76Å; F631-L635 WeakPolarHBondContact O-CG 3.46Å; F631-L635 PolarHBondContact O-N 2.01Å; Q632-L635 PolarHBondContact O-N 3.09Å; L635-G637 VanDerWaalsContact C-N 3.34Å; L635-G637 PolarHBondContact O-N 2.91Å; L635-Y638 PolarHBondContact O-N 2.8Å; L635-K639 WeakPolarHBondContact O-CB 2.89Å; L635-K639 VanDerWaalsContact O-CG 3.27Å; L635-K639 WeakPolarHBondContact O-CG 3.47Å; L635-K639 PolarHBondContact O-N 3.05Å
636	Y	92.6	Very high	92.4	Very high	107 Å²	107	61 Å²	61	42%	0.42	34%	0.342	S	S	.	.	H	α-helix	trans	-63.6	-38.7	-179.2	-66.4	-33.3	0	0	0	112.6	Q632 G640 V682	Q632-Y636 HydrophobicContact CB-CD2 4.42Å; Q632-Y636 HydrophobicContact CB-CE2 4.18Å; Q632-Y636 WeakPolarHBondContact O-CB 3.31Å; Q632-Y636 VanDerWaalsContact O-CD2 3.29Å; Q632-Y636 WeakPolarHBondContact O-CD2 3.42Å; Q632-Y636 PolarHBondContact O-N 2.93Å; Y636-G640 PolarHBondContact O-N 3.3Å; Y636-V682 HydrophobicContact CE1-CG2 4.29Å; Y636-V682 HydrophobicContact CE2-CG1 4.43Å
637	G	93.7	Very high	92.4	Very high	39 Å²	39	54.7 Å²	54.7	40%	0.402	31%	0.314	S	S	.	.	H	α-helix	trans	-61.1	-49.9	174.6	0	0	0	0	0	112.1	G633 L635 G640 I641	G633-G637 PolarHBondContact O-N 3.48Å; L635-G637 VanDerWaalsContact C-N 3.34Å; L635-G637 PolarHBondContact O-N 2.91Å; G637-G640 PolarHBondContact O-N 3.21Å; G637-I641 WeakPolarHBondContact O-CG1 3.46Å; G637-I641 PolarHBondContact O-N 3.07Å
638	Y	94.6	Very high	92.5	Very high	41 Å²	41	55.7 Å²	55.7	16%	0.161	32%	0.318	C	S	.	.	H	α-helix	trans	-60.3	-47.1	176.8	166.7	-116.9	0	0	0	112.4	L580 I583 D584 L634 L635 G640 I641 M642	L580-Y638 WeakPolarHBondContact CA-OH 3.06Å; L580-Y638 VanDerWaalsContact CD2-OH 3.24Å; L580-Y638 WeakPolarHBondContact CD2-OH 3.31Å; L580-Y638 PolarHBondContact O-OH 3.05Å; I583-Y638 HydrophobicContact CB-CE1 4.45Å; I583-Y638 HydrophobicContact CB-CE2 4.49Å; I583-Y638 HydrophobicContact CD1-CE2 4.08Å; I583-Y638 HydrophobicContact CG2-CD1 4.32Å; I583-Y638 HydrophobicContact CG2-CD2 4.26Å; I583-Y638 HydrophobicContact CG2-CE1 3.93Å; I583-Y638 HydrophobicContact CG2-CE2 3.88Å; I583-Y638 HydrophobicContact CG2-CG 4.47Å; D584-Y638 VanDerWaalsContact OD1-CE1 3.25Å; D584-Y638 WeakPolarHBondContact OD1-CE1 3.33Å; L634-Y638 WeakPolarHBondContact O-CB 3.41Å; L634-Y638 PolarHBondContact O-N 3.47Å; L635-Y638 PolarHBondContact O-N 2.8Å; Y638-G640 VanDerWaalsContact C-N 3.32Å; Y638-G640 PolarHBondContact O-N 3.34Å; Y638-I641 PolarHBondContact O-N 3.33Å; Y638-M642 PolarHBondContact O-N 2.68Å
639	K	94.4	Very high	92.5	Very high	22 Å²	22	55.3 Å²	55.3	10%	0.096	31%	0.313	C	S	.	.	H	α-helix	trans	-64	-37.5	176.3	-63.3	-52.9	-179.7	-169.9	0	112.1	F540 T541 D584 L635 M642 L643	F540-K639 HydrophobicContact CD1-CD 3.77Å; F540-K639 HydrophobicContact CE1-CB 4.41Å; F540-K639 HydrophobicContact CE1-CD 3.69Å; F540-K639 HydrophobicContact CE1-CG 4.32Å; T541-K639 PolarHBondContact OG1-NZ 3.01Å; D584-K639 WeakPolarHBondContact OD1-CE 3.19Å; D584-K639 IonicContact OD1-NZ 2.8Å; D584-K639 PolarHBondContact OD1-NZ 2.96Å; D584-K639 IonicContact OD2-NZ 2.94Å; D584-K639 PolarHBondContact OD2-NZ 3.14Å; L635-K639 WeakPolarHBondContact O-CB 2.89Å; L635-K639 VanDerWaalsContact O-CG 3.27Å; L635-K639 WeakPolarHBondContact O-CG 3.47Å; L635-K639 PolarHBondContact O-N 3.05Å; K639-M642 WeakPolarHBondContact O-CB 3.49Å; K639-M642 PolarHBondContact O-N 2.97Å; K639-L643 WeakPolarHBondContact O-CB 3.08Å; K639-L643 WeakPolarHBondContact O-CG 3.38Å; K639-L643 PolarHBondContact O-N 3.13Å
640	G	93.3	Very high	92.5	Very high	31 Å²	31	50 Å²	50	32%	0.32	28%	0.281	S	S	.	.	H	α-helix	trans	-60	-47	175.4	0	0	0	0	0	112.3	Y636 G637 Y638 M642 L643 V644	Y636-G640 PolarHBondContact O-N 3.3Å; G637-G640 PolarHBondContact O-N 3.21Å; Y638-G640 VanDerWaalsContact C-N 3.32Å; Y638-G640 PolarHBondContact O-N 3.34Å; G640-M642 VanDerWaalsContact C-N 3.31Å; G640-M642 PolarHBondContact O-N 2.84Å; G640-L643 WeakPolarHBondContact O-CB 3.01Å; G640-L643 PolarHBondContact O-N 2.76Å; G640-V644 WeakPolarHBondContact O-CG2 3.49Å; G640-V644 PolarHBondContact O-N 2.46Å
641	I	93.6	Very high	92.2	Very high	109 Å²	109	51.8 Å²	51.8	56%	0.559	28%	0.278	S	S	*	.	H	α-helix	trans	-60	-44.5	174.8	-66.6	163.4	0	0	0	110.4	G637 Y638 L643 V644 L645	G637-I641 WeakPolarHBondContact O-CG1 3.46Å; G637-I641 PolarHBondContact O-N 3.07Å; Y638-I641 PolarHBondContact O-N 3.33Å; I641-L643 VanDerWaalsContact C-N 3.33Å; I641-L643 PolarHBondContact O-N 2.62Å; I641-V644 PolarHBondContact O-N 3.13Å; I641-L645 HydrophobicContact CG2-CD1 4.02Å; I641-L645 HydrophobicContact CG2-CG 4.42Å; I641-L645 WeakPolarHBondContact O-CG 3.42Å; I641-L645 PolarHBondContact O-N 2.97Å
642	M	92.7	Very high	92.1	Very high	8 Å²	8	55.4 Å²	55.4	4%	0.039	30%	0.296	C	S	.	.	H	α-helix	trans	-59.5	-43.8	178.1	-158.8	-163.8	165.2	0	0	111.9	F540 F544 G545 F548 L580 Y638 K639 G640 L645 G646	F540-M642 HydrophobicContact CE1-SD 4.48Å; F544-M642 HydrophobicContact CD1-CE 3.34Å; F544-M642 HydrophobicContact CD1-CG 4.03Å; F544-M642 HydrophobicContact CD1-SD 3.56Å; F544-M642 VanDerWaalsContact CD1-SD 3.56Å; F544-M642 HydrophobicContact CE1-CB 4.23Å; F544-M642 HydrophobicContact CE1-CE 3.82Å; F544-M642 HydrophobicContact CE1-CG 3.73Å; F544-M642 WeakPolarHBondContact CE1-O 3.29Å; F544-M642 HydrophobicContact CE1-SD 3.92Å; F544-M642 HydrophobicContact CG-CE 4.35Å; G545-M642 VanDerWaalsContact CA-CE 3.42Å; F548-M642 HydrophobicContact CB-CE 4.48Å; L580-M642 HydrophobicContact CD1-CE 3.52Å; L580-M642 HydrophobicContact CD2-CE 4.27Å; L580-M642 HydrophobicContact CD2-SD 4.44Å; L580-M642 HydrophobicContact CG-CE 4.4Å; Y638-M642 PolarHBondContact O-N 2.68Å; K639-M642 WeakPolarHBondContact O-CB 3.49Å; K639-M642 PolarHBondContact O-N 2.97Å; G640-M642 VanDerWaalsContact C-N 3.31Å; G640-M642 PolarHBondContact O-N 2.84Å; M642-L645 PolarHBondContact O-N 3.1Å; M642-G646 PolarHBondContact O-N 2.9Å
643	L	92.6	Very high	91.7	Very high	20 Å²	20	52.7 Å²	52.7	11%	0.105	28%	0.283	C	S	.	.	H	α-helix	trans	-62.6	-45.4	176.8	-76.7	-179.4	0	0	0	112.1	F540 F544 K639 G640 I641 G646 C647 V674 V675 C678	F540-L643 HydrophobicContact CE2-CD2 4.47Å; F540-L643 HydrophobicContact CZ-CD1 4.49Å; F540-L643 HydrophobicContact CZ-CD2 3.78Å; F540-L643 HydrophobicContact CZ-CG 4.18Å; F544-L643 HydrophobicContact CD1-CD2 4.16Å; F544-L643 HydrophobicContact CD2-CD2 4.06Å; F544-L643 HydrophobicContact CE1-CD2 3.8Å; F544-L643 HydrophobicContact CE1-CG 4.49Å; F544-L643 HydrophobicContact CE2-CD2 3.64Å; F544-L643 HydrophobicContact CG-CD2 4.33Å; F544-L643 HydrophobicContact CZ-CD2 3.53Å; F544-L643 HydrophobicContact CZ-CG 4.47Å; K639-L643 WeakPolarHBondContact O-CB 3.08Å; K639-L643 WeakPolarHBondContact O-CG 3.38Å; K639-L643 PolarHBondContact O-N 3.13Å; G640-L643 WeakPolarHBondContact O-CB 3.01Å; G640-L643 PolarHBondContact O-N 2.76Å; I641-L643 VanDerWaalsContact C-N 3.33Å; I641-L643 PolarHBondContact O-N 2.62Å; L643-G646 PolarHBondContact O-N 3.2Å; L643-C647 PolarHBondContact O-N 3.39Å; L643-V674 HydrophobicContact CD2-CG1 4.07Å; L643-V675 HydrophobicContact CB-CG2 3.89Å; L643-V675 HydrophobicContact CD1-CG2 4.27Å; L643-V675 HydrophobicContact CD2-CG2 3.78Å; L643-V675 HydrophobicContact CG-CG2 4.17Å; L643-C678 HydrophobicContact CD1-CB 4.37Å
644	V	92.9	Very high	91.3	Very high	100 Å²	100	56.5 Å²	56.5	61%	0.606	28%	0.284	S	S	*	.	H	α-helix	trans	-61.7	-45.3	177.4	172.2	0	0	0	0	111.1	G640 I641 G646 C647 F648	G640-V644 WeakPolarHBondContact O-CG2 3.49Å; G640-V644 PolarHBondContact O-N 2.46Å; I641-V644 PolarHBondContact O-N 3.13Å; V644-G646 VanDerWaalsContact C-N 3.33Å; V644-G646 PolarHBondContact O-N 3.33Å; V644-C647 PolarHBondContact O-N 3.5Å; V644-F648 PolarHBondContact O-N 2.92Å
645	L	92.1	Very high	90.6	Very high	86 Å²	86	58.1 Å²	58.1	45%	0.45	29%	0.293	S	S	.	.	H	α-helix	trans	-63.2	-38.9	175.9	-69.4	174.8	0	0	0	112	F548 I641 M642 F648 L649	F548-L645 HydrophobicContact CE2-CB 4.03Å; I641-L645 HydrophobicContact CG2-CD1 4.02Å; I641-L645 HydrophobicContact CG2-CG 4.42Å; I641-L645 WeakPolarHBondContact O-CG 3.42Å; I641-L645 PolarHBondContact O-N 2.97Å; M642-L645 PolarHBondContact O-N 3.1Å; L645-F648 PolarHBondContact O-N 3.33Å; L645-L649 WeakPolarHBondContact O-CG 3.35Å; L645-L649 PolarHBondContact O-N 2.9Å
646	G	91	Very high	89.6	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.7	-43.7	174.5	0	0	0	0	0	112.8	M642 L643 V644 F648 L649 A650	M642-G646 PolarHBondContact O-N 2.9Å; L643-G646 PolarHBondContact O-N 3.2Å; V644-G646 VanDerWaalsContact C-N 3.33Å; V644-G646 PolarHBondContact O-N 3.33Å; G646-F648 VanDerWaalsContact C-N 3.35Å; G646-L649 PolarHBondContact O-N 2.94Å; G646-A650 WeakPolarHBondContact O-CB 3.08Å; G646-A650 PolarHBondContact O-N 2.84Å
647	C	91.1	Very high	88.4	Confident	27 Å²	27	58.6 Å²	58.6	18%	0.182	31%	0.305	C	S	.	.	H	α-helix	trans	-61.4	-41.8	173.7	-81.6	0	0	0	0	112.3	L643 V644 A650 W651 Y672	L643-C647 PolarHBondContact O-N 3.39Å; V644-C647 PolarHBondContact O-N 3.5Å; C647-A650 PolarHBondContact O-N 3.38Å; C647-W651 WeakPolarHBondContact O-CB 3.16Å; C647-W651 PolarHBondContact O-N 3Å; C647-Y672 HydrophobicContact CB-CE1 4.43Å
648	F	91.6	Very high	87.1	Confident	113 Å²	113	57 Å²	57	50%	0.496	29%	0.287	S	S	.	.	H	α-helix	trans	-60.8	-47.9	176.7	175.8	-100	0	0	0	111.7	V644 L645 G646 A650 W651 E652	V644-F648 PolarHBondContact O-N 2.92Å; L645-F648 PolarHBondContact O-N 3.33Å; G646-F648 VanDerWaalsContact C-N 3.35Å; F648-A650 VanDerWaalsContact C-N 3.35Å; F648-A650 PolarHBondContact O-N 2.96Å; F648-W651 WeakPolarHBondContact O-CB 3.33Å; F648-W651 PolarHBondContact O-N 3.49Å; F648-E652 HydrophobicContact CE1-CG 4.24Å; F648-E652 HydrophobicContact CE2-CG 4.34Å; F648-E652 HydrophobicContact CZ-CG 4.03Å; F648-E652 PolarHBondContact O-N 3Å
649	L	89.8	Confident	85.5	Confident	13 Å²	13	59.2 Å²	59.2	7%	0.068	31%	0.306	C	S	.	.	H	α-helix	trans	-65.3	-37.2	176.8	-67.4	-178.1	0	0	0	112.7	F548 W552 H555 L645 G646 W651 T653	F548-L649 HydrophobicContact CD2-CD1 3.85Å; F548-L649 HydrophobicContact CE2-CD1 3.29Å; F548-L649 HydrophobicContact CE2-CG 4.27Å; F548-L649 HydrophobicContact CZ-CD1 3.69Å; W552-L649 HydrophobicContact CB-CD1 3.96Å; H555-L649 HydrophobicContact CB-CD2 4.28Å; L645-L649 WeakPolarHBondContact O-CG 3.35Å; L645-L649 PolarHBondContact O-N 2.9Å; G646-L649 PolarHBondContact O-N 2.94Å; L649-W651 VanDerWaalsContact C-N 3.31Å; L649-T653 WeakPolarHBondContact O-CB 2.96Å; L649-T653 WeakPolarHBondContact O-CG2 2.99Å; L649-T653 PolarHBondContact O-N 2.93Å; L649-T653 PolarHBondContact O-OG1 3.26Å
650	A	88.8	Confident	83.7	Confident	5 Å²	5	59 Å²	59	4%	0.041	31%	0.309	C	S	.	.	H	α-helix	trans	-63.4	-38.6	174.6	0	0	0	0	0	111.6	G646 C647 F648 T653 R654	G646-A650 WeakPolarHBondContact O-CB 3.08Å; G646-A650 PolarHBondContact O-N 2.84Å; C647-A650 PolarHBondContact O-N 3.38Å; F648-A650 VanDerWaalsContact C-N 3.35Å; F648-A650 PolarHBondContact O-N 2.96Å; A650-T653 PolarHBondContact O-N 3.41Å; A650-T653 PolarHBondContact O-OG1 3.46Å; A650-R654 PolarHBondContact O-N 3.5Å
651	W	89	Confident	82.3	Confident	127 Å²	127	59.8 Å²	59.8	48%	0.481	31%	0.305	S	S	.	.	H	α-helix	trans	-66	-47.8	177.1	-178.5	-97.3	0	0	0	112.6	C647 F648 L649 T653 R654	C647-W651 WeakPolarHBondContact O-CB 3.16Å; C647-W651 PolarHBondContact O-N 3Å; F648-W651 WeakPolarHBondContact O-CB 3.33Å; F648-W651 PolarHBondContact O-N 3.49Å; L649-W651 VanDerWaalsContact C-N 3.31Å; W651-T653 PolarHBondContact O-N 3.28Å; W651-R654 VanDerWaalsContact CZ2-NH1 3.34Å; W651-R654 WeakPolarHBondContact O-CB 3.47Å; W651-R654 WeakPolarHBondContact O-CD 3.31Å; W651-R654 WeakPolarHBondContact O-CG 3.18Å; W651-R654 PolarHBondContact O-N 3.4Å
652	E	88.9	Confident	81.2	Confident	96 Å²	96	57.7 Å²	57.7	45%	0.449	30%	0.295	S	S	.	.	H	α-helix	trans	-62.2	-31.7	178.8	-75.4	-61.8	131.5	0	0	112.4	F648	F648-E652 HydrophobicContact CE1-CG 4.24Å; F648-E652 HydrophobicContact CE2-CG 4.34Å; F648-E652 HydrophobicContact CZ-CG 4.03Å; F648-E652 PolarHBondContact O-N 3Å
653	T	83.8	Confident	80.6	Confident	8 Å²	8	58.8 Å²	58.8	5%	0.049	30%	0.301	C	S	.	.	H	α-helix	trans	-88.8	-2.9	-177.3	54.6	0	0	0	0	114.5	V554 H555 L649 A650 W651 N655 V656	V554-T653 HydrophobicContact CB-CG2 4.29Å; V554-T653 HydrophobicContact CG1-CG2 3.87Å; H555-T653 HydrophobicContact CB-CG2 3.88Å; L649-T653 WeakPolarHBondContact O-CB 2.96Å; L649-T653 WeakPolarHBondContact O-CG2 2.99Å; L649-T653 PolarHBondContact O-N 2.93Å; L649-T653 PolarHBondContact O-OG1 3.26Å; A650-T653 PolarHBondContact O-N 3.41Å; A650-T653 PolarHBondContact O-OG1 3.46Å; W651-T653 PolarHBondContact O-N 3.28Å; T653-N655 VanDerWaalsContact C-N 3.32Å; T653-N655 PolarHBondContact O-N 3.39Å; T653-V656 PolarHBondContact O-N 3.15Å
654	R	84.1	Confident	80.1	Confident	122 Å²	122	58.2 Å²	58.2	46%	0.46	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-30.2	-172.4	78.3	-172.2	174.4	156.6	-3.1	115.4	A650 W651 V656	A650-R654 PolarHBondContact O-N 3.5Å; W651-R654 VanDerWaalsContact CZ2-NH1 3.34Å; W651-R654 WeakPolarHBondContact O-CB 3.47Å; W651-R654 WeakPolarHBondContact O-CD 3.31Å; W651-R654 WeakPolarHBondContact O-CG 3.18Å; W651-R654 PolarHBondContact O-N 3.4Å; R654-V656 VanDerWaalsContact C-N 3.31Å
655	N	78.8	Confident	79.7	Confident	131 Å²	131	58.9 Å²	58.9	70%	0.701	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	2.5	-174.7	-72.5	-22.1	0	0	0	113.1	T653 N657	T653-N655 VanDerWaalsContact C-N 3.32Å; T653-N655 PolarHBondContact O-N 3.39Å; N655-N657 PolarHBondContact O-N 3.44Å
656	V	72.5	Confident	79.6	Confident	29 Å²	29	58.2 Å²	58.2	18%	0.176	29%	0.286	C	S	.	.			trans	-92.1	92.2	-176.5	-179.3	0	0	0	0	110.4	F558 T653 R654 V658	F558-V656 HydrophobicContact CD1-CG1 4.02Å; F558-V656 HydrophobicContact CD1-CG2 4.23Å; F558-V656 HydrophobicContact CD2-CG1 3.75Å; F558-V656 HydrophobicContact CD2-CG2 4.15Å; F558-V656 HydrophobicContact CE1-CG1 3.53Å; F558-V656 HydrophobicContact CE2-CB 4.47Å; F558-V656 HydrophobicContact CE2-CG1 3.29Å; F558-V656 HydrophobicContact CG-CG1 4.14Å; F558-V656 HydrophobicContact CG-CG2 4.05Å; F558-V656 HydrophobicContact CZ-CG1 3.15Å; T653-V656 PolarHBondContact O-N 3.15Å; R654-V656 VanDerWaalsContact C-N 3.31Å; V656-V658 HydrophobicContact CG1-CG2 4.39Å; V656-V658 PolarHBondContact O-N 2.79Å
657	N	66.3	Low	79.4	Confident	104 Å²	104	58.3 Å²	58.3	56%	0.556	29%	0.286	S	S	*	.			trans	-98.9	73	-178.6	-68.5	-24.6	0	0	0	112.1	N655 M744	N655-N657 PolarHBondContact O-N 3.44Å; N657-M744 WeakPolarHBondContact O-CE 3.05Å
658	V	66.6	Low	79.1	Confident	5 Å²	5	57.3 Å²	57.3	3%	0.03	28%	0.281	C	S	.	.			trans	-100.8	123.1	169.5	175.8	0	0	0	0	108.1	F558 V656 A660 L661 N662 L741 M744	F558-V658 HydrophobicContact CZ-CG2 4.1Å; V656-V658 HydrophobicContact CG1-CG2 4.39Å; V656-V658 PolarHBondContact O-N 2.79Å; V658-A660 HydrophobicContact CG1-CB 4.28Å; V658-A660 PolarHBondContact O-N 3.08Å; V658-A660 VanDerWaalsContact O-N 3.14Å; V658-L661 HydrophobicContact CB-CB 3.93Å; V658-L661 HydrophobicContact CG1-CB 4.26Å; V658-L661 CarbonylContact O-C 3.55Å; V658-L661 VanDerWaalsContact O-C 3.31Å; V658-L661 WeakPolarHBondContact O-CA 3.47Å; V658-L661 PolarHBondContact O-N 3.27Å; V658-N662 PolarHBondContact O-N 3.39Å; V658-L741 HydrophobicContact CG1-CD2 4.03Å; V658-L741 HydrophobicContact CG1-CG 4.42Å; V658-L741 HydrophobicContact CG2-CD2 3.98Å; V658-M744 HydrophobicContact CB-CE 4.32Å; V658-M744 HydrophobicContact CG2-CE 3.46Å; V658-M744 VanDerWaalsContact CG2-CE 3.46Å; V658-M744 HydrophobicContact CG2-SD 4.45Å
659	P	61.2	Low	79	Confident	87 Å²	87	55.7 Å²	55.7	57%	0.565	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-54.6	-37.4	-176.6	-27.9	34	0	0	0	113.9	L661	P659-L661 PolarHBondContact O-N 3.38Å
660	A	57.8	Low	79	Confident	19 Å²	19	55 Å²	55	16%	0.157	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-71.5	-12	175.5	0	0	0	0	0	114.7	M490 V658 M737	M490-A660 HydrophobicContact CE-CB 3.88Å; M490-A660 HydrophobicContact SD-CB 3.91Å; V658-A660 HydrophobicContact CG1-CB 4.28Å; V658-A660 PolarHBondContact O-N 3.08Å; V658-A660 VanDerWaalsContact O-N 3.14Å; A660-M737 HydrophobicContact CB-CE 3.31Å; A660-M737 HydrophobicContact CB-SD 3.92Å
661	L	63.6	Low	79.2	Confident	46 Å²	46	54.9 Å²	54.9	24%	0.241	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-120.8	13	-177.8	-111.1	78.5	0	0	0	112.4	V554 F558 V658 P659 D663 S664	V554-L661 HydrophobicContact CG1-CD2 4.05Å; V554-L661 HydrophobicContact CG2-CD2 4.01Å; F558-L661 HydrophobicContact CE2-CD2 3.56Å; F558-L661 HydrophobicContact CZ-CD2 4.13Å; V658-L661 HydrophobicContact CB-CB 3.93Å; V658-L661 HydrophobicContact CG1-CB 4.26Å; V658-L661 CarbonylContact O-C 3.55Å; V658-L661 VanDerWaalsContact O-C 3.31Å; V658-L661 WeakPolarHBondContact O-CA 3.47Å; V658-L661 PolarHBondContact O-N 3.27Å; P659-L661 PolarHBondContact O-N 3.38Å; L661-D663 PolarHBondContact O-N 2.96Å; L661-S664 WeakPolarHBondContact O-CB 3.36Å; L661-S664 PolarHBondContact O-N 2.88Å; L661-S664 PolarHBondContact O-OG 3.21Å
662	N	71	Confident	79.2	Confident	65 Å²	65	53.5 Å²	53.5	35%	0.348	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-15.7	177.1	-153.9	8.8	0	0	0	112.4	V658 S664 K665 Y666	V658-N662 PolarHBondContact O-N 3.39Å; N662-S664 PolarHBondContact O-N 3.25Å; N662-K665 PolarHBondContact O-N 3.2Å; N662-K665 VanDerWaalsContact O-N 3.16Å; N662-Y666 VanDerWaalsContact O-CD2 3.23Å; N662-Y666 WeakPolarHBondContact O-CD2 3.31Å
663	D	78.7	Confident	79.2	Confident	31 Å²	31	50.1 Å²	50.1	17%	0.166	25%	0.251	C	S	.	.	H	α-helix	trans	-50.4	-36.4	167.7	-165.6	39.5	0	0	0	111.9	S491 K550 L661 K665 Y666 I667 K718	S491-D663 PolarHBondContact OG-OD2 2.96Å; K550-D663 IonicContact NZ-OD2 3.56Å; K550-D663 PolarHBondContact NZ-OD2 3.3Å; L661-D663 PolarHBondContact O-N 2.96Å; D663-K665 VanDerWaalsContact C-N 3.32Å; D663-K665 PolarHBondContact O-N 2.9Å; D663-Y666 PolarHBondContact O-N 2.96Å; D663-I667 WeakPolarHBondContact O-CD1 3.06Å; D663-I667 VanDerWaalsContact O-CG1 3.25Å; D663-I667 WeakPolarHBondContact O-CG1 3.45Å; D663-I667 PolarHBondContact O-N 2.87Å; D663-K718 WeakPolarHBondContact OD1-CE 3.33Å; D663-K718 IonicContact OD1-NZ 2.77Å; D663-K718 PolarHBondContact OD1-NZ 2.89Å; D663-K718 IonicContact OD2-NZ 3.68Å
664	S	82.8	Confident	79.7	Confident	8 Å²	8	50.1 Å²	50.1	6%	0.056	25%	0.251	C	S	.	.	H	α-helix	trans	-61.6	-38.7	-178.8	-32.8	0	0	0	0	112.5	V554 L661 N662 G668	V554-S664 WeakPolarHBondContact CG2-OG 3.42Å; L661-S664 WeakPolarHBondContact O-CB 3.36Å; L661-S664 PolarHBondContact O-N 2.88Å; L661-S664 PolarHBondContact O-OG 3.21Å; N662-S664 PolarHBondContact O-N 3.25Å; S664-G668 PolarHBondContact O-N 3.49Å
665	K	84.4	Confident	80	Confident	115 Å²	115	46.6 Å²	46.6	50%	0.5	24%	0.243	S	C	.	.	H	α-helix	trans	-69.1	-44.5	-178	-172.8	-175.1	176.3	179.1	0	111.2	N662 D663 G668 M669	N662-K665 PolarHBondContact O-N 3.2Å; N662-K665 VanDerWaalsContact O-N 3.16Å; D663-K665 VanDerWaalsContact C-N 3.32Å; D663-K665 PolarHBondContact O-N 2.9Å; K665-G668 PolarHBondContact O-N 3.5Å; K665-M669 HydrophobicContact CD-CE 4.05Å; K665-M669 HydrophobicContact CG-CE 3.71Å; K665-M669 PolarHBondContact O-N 3.02Å
666	Y	88.8	Confident	80.7	Confident	71 Å²	71	46 Å²	46	28%	0.278	24%	0.239	S	C	.	.	H	α-helix	trans	-67.6	-37.6	177.2	-63	-70.6	0	0	0	112.1	N662 D663 M669 S670 L713 P717	N662-Y666 VanDerWaalsContact O-CD2 3.23Å; N662-Y666 WeakPolarHBondContact O-CD2 3.31Å; D663-Y666 PolarHBondContact O-N 2.96Å; Y666-M669 HydrophobicContact CD1-CE 4Å; Y666-M669 HydrophobicContact CE1-CE 4.29Å; Y666-M669 PolarHBondContact O-N 3.13Å; Y666-S670 WeakPolarHBondContact O-CB 3.06Å; Y666-S670 PolarHBondContact O-N 2.96Å; Y666-L713 WeakPolarHBondContact CB-O 3.43Å; Y666-P717 HydrophobicContact CD1-CG 3.97Å; Y666-P717 HydrophobicContact CD2-CB 4.17Å; Y666-P717 HydrophobicContact CD2-CG 3.85Å; Y666-P717 HydrophobicContact CE1-CG 3.87Å; Y666-P717 HydrophobicContact CE2-CB 3.79Å; Y666-P717 HydrophobicContact CE2-CG 3.74Å; Y666-P717 HydrophobicContact CG-CG 3.97Å
667	I	87.1	Confident	81.6	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-63.4	-42.8	171.9	-66.8	165.8	0	0	0	110.5	M547 K550 T551 D663 M669 S670 V671 V714	M547-I667 HydrophobicContact CB-CG2 3.78Å; M547-I667 HydrophobicContact CG-CG2 4.08Å; K550-I667 HydrophobicContact CB-CD1 3.97Å; K550-I667 HydrophobicContact CD-CD1 3.49Å; K550-I667 VanDerWaalsContact CD-CD1 3.49Å; K550-I667 HydrophobicContact CG-CD1 4.41Å; T551-I667 HydrophobicContact CG2-CB 4.45Å; T551-I667 HydrophobicContact CG2-CG2 3.66Å; D663-I667 WeakPolarHBondContact O-CD1 3.06Å; D663-I667 VanDerWaalsContact O-CG1 3.25Å; D663-I667 WeakPolarHBondContact O-CG1 3.45Å; D663-I667 PolarHBondContact O-N 2.87Å; I667-M669 PolarHBondContact O-N 3.31Å; I667-S670 WeakPolarHBondContact O-CB 3.1Å; I667-S670 PolarHBondContact O-N 3.03Å; I667-S670 VanDerWaalsContact O-N 3.14Å; I667-V671 WeakPolarHBondContact O-CG2 3.5Å; I667-V671 PolarHBondContact O-N 3.06Å; I667-V714 HydrophobicContact CG1-CG2 4.18Å
668	G	86.3	Confident	82.9	Confident	7 Å²	7	42.3 Å²	42.3	7%	0.072	22%	0.221	C	C	.	.	H	α-helix	trans	-58.4	-45.4	174.8	0	0	0	0	0	112.9	S664 K665 S670 V671 Y672	S664-G668 PolarHBondContact O-N 3.49Å; K665-G668 PolarHBondContact O-N 3.5Å; G668-S670 VanDerWaalsContact C-N 3.31Å; G668-S670 PolarHBondContact O-N 2.98Å; G668-V671 PolarHBondContact O-N 2.91Å; G668-Y672 WeakPolarHBondContact O-CD2 3.43Å; G668-Y672 PolarHBondContact O-N 3Å
669	M	87.8	Confident	84	Confident	78 Å²	78	44.3 Å²	44.3	38%	0.384	24%	0.243	S	C	.	.	H	α-helix	trans	-60.2	-40.7	173.1	-71.5	-173.9	-116.8	0	0	112.4	K665 Y666 I667 V671 Y672 N673 L713	K665-M669 HydrophobicContact CD-CE 4.05Å; K665-M669 HydrophobicContact CG-CE 3.71Å; K665-M669 PolarHBondContact O-N 3.02Å; Y666-M669 HydrophobicContact CD1-CE 4Å; Y666-M669 HydrophobicContact CE1-CE 4.29Å; Y666-M669 PolarHBondContact O-N 3.13Å; I667-M669 PolarHBondContact O-N 3.31Å; M669-V671 VanDerWaalsContact C-N 3.34Å; M669-V671 PolarHBondContact O-N 2.88Å; M669-Y672 PolarHBondContact O-N 3.2Å; M669-N673 PolarHBondContact O-N 3.31Å; M669-L713 HydrophobicContact CB-CD1 4.32Å
670	S	91.3	Very high	85.5	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.5	-40.4	176.7	-165	0	0	0	0	112.2	Y666 I667 G668 N673 V674 T710	Y666-S670 WeakPolarHBondContact O-CB 3.06Å; Y666-S670 PolarHBondContact O-N 2.96Å; I667-S670 WeakPolarHBondContact O-CB 3.1Å; I667-S670 PolarHBondContact O-N 3.03Å; I667-S670 VanDerWaalsContact O-N 3.14Å; G668-S670 VanDerWaalsContact C-N 3.31Å; G668-S670 PolarHBondContact O-N 2.98Å; S670-N673 PolarHBondContact O-N 2.86Å; S670-V674 VanDerWaalsContact O-CG2 3.28Å; S670-V674 WeakPolarHBondContact O-CG2 3.5Å; S670-V674 PolarHBondContact O-N 3.39Å; S670-T710 WeakPolarHBondContact OG-CA 3.46Å; S670-T710 WeakPolarHBondContact OG-CB 3.26Å; S670-T710 VanDerWaalsContact OG-CG2 3.31Å; S670-T710 WeakPolarHBondContact OG-CG2 3.33Å; S670-T710 PolarHBondContact OG-OG1 3.47Å
671	V	91.7	Very high	87	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.006	24%	0.235	C	C	.	.	H	α-helix	trans	-60.8	-45.6	177.3	168.2	0	0	0	0	111.1	F544 I667 G668 M669 N673 V674 V675	F544-V671 HydrophobicContact CE2-CB 4.45Å; F544-V671 HydrophobicContact CE2-CG1 4.03Å; F544-V671 HydrophobicContact CE2-CG2 4.01Å; F544-V671 HydrophobicContact CZ-CG1 4.49Å; I667-V671 WeakPolarHBondContact O-CG2 3.5Å; I667-V671 PolarHBondContact O-N 3.06Å; G668-V671 PolarHBondContact O-N 2.91Å; M669-V671 VanDerWaalsContact C-N 3.34Å; M669-V671 PolarHBondContact O-N 2.88Å; V671-N673 VanDerWaalsContact C-N 3.33Å; V671-N673 PolarHBondContact O-N 3.02Å; V671-V674 PolarHBondContact O-N 3.45Å; V671-V675 WeakPolarHBondContact O-CG2 3.33Å; V671-V675 PolarHBondContact O-N 2.84Å
672	Y	89	Confident	88.3	Confident	99 Å²	99	43.4 Å²	43.4	39%	0.388	24%	0.238	S	C	.	.	H	α-helix	trans	-61.1	-41.6	177.3	-68.5	-59.2	0	0	0	112.6	C647 G668 M669 V675 L676	C647-Y672 HydrophobicContact CB-CE1 4.43Å; G668-Y672 WeakPolarHBondContact O-CD2 3.43Å; G668-Y672 PolarHBondContact O-N 3Å; M669-Y672 PolarHBondContact O-N 3.2Å; Y672-V675 PolarHBondContact O-N 2.81Å; Y672-L676 PolarHBondContact O-N 3.39Å; Y672-L676 VanDerWaalsContact O-N 3.14Å
673	N	90.2	Very high	89.2	Confident	24 Å²	24	42.8 Å²	42.8	13%	0.128	24%	0.242	C	C	.	.	H	α-helix	trans	-62.5	-44.5	176.9	-179.5	52.3	0	0	0	112.2	M669 S670 V671 V675 L676 I677 L709	M669-N673 PolarHBondContact O-N 3.31Å; S670-N673 PolarHBondContact O-N 2.86Å; V671-N673 VanDerWaalsContact C-N 3.33Å; V671-N673 PolarHBondContact O-N 3.02Å; N673-V675 VanDerWaalsContact C-N 3.34Å; N673-V675 PolarHBondContact O-N 2.86Å; N673-L676 PolarHBondContact O-N 2.74Å; N673-I677 WeakPolarHBondContact O-CG1 3.47Å; N673-I677 PolarHBondContact O-N 3.47Å; N673-I677 VanDerWaalsContact O-N 3.09Å; N673-I677 WeakPolarHBondContact OD1-CD1 3.25Å; N673-L709 HydrophobicContact CB-CD2 4.5Å; N673-L709 VanDerWaalsContact CG-CD2 3.5Å; N673-L709 WeakPolarHBondContact ND2-CD2 3.41Å
674	V	92.8	Very high	89.8	Confident	9 Å²	9	43.5 Å²	43.5	6%	0.055	25%	0.246	C	C	.	.	H	α-helix	trans	-60.5	-44.1	177.7	172.7	0	0	0	0	110.9	F540 F544 L643 S670 V671 L676 C678	F540-V674 HydrophobicContact CE2-CG1 4.03Å; F544-V674 HydrophobicContact CD2-CG1 4.37Å; L643-V674 HydrophobicContact CD2-CG1 4.07Å; S670-V674 VanDerWaalsContact O-CG2 3.28Å; S670-V674 WeakPolarHBondContact O-CG2 3.5Å; S670-V674 PolarHBondContact O-N 3.39Å; V671-V674 PolarHBondContact O-N 3.45Å; V674-L676 PolarHBondContact O-N 2.79Å; V674-C678 VanDerWaalsContact O-CB 3.23Å; V674-C678 WeakPolarHBondContact O-CB 3.31Å; V674-C678 PolarHBondContact O-N 3.45Å; V674-C678 PolarHBondContact O-SG 3.1Å
675	V	92	Very high	90	Very high	48 Å²	48	44.3 Å²	44.3	29%	0.291	25%	0.251	S	S	.	.	H	α-helix	trans	-61.8	-46.2	179.3	173.2	0	0	0	0	112.2	L643 V671 Y672 N673 G679	L643-V675 HydrophobicContact CB-CG2 3.89Å; L643-V675 HydrophobicContact CD1-CG2 4.27Å; L643-V675 HydrophobicContact CD2-CG2 3.78Å; L643-V675 HydrophobicContact CG-CG2 4.17Å; V671-V675 WeakPolarHBondContact O-CG2 3.33Å; V671-V675 PolarHBondContact O-N 2.84Å; Y672-V675 PolarHBondContact O-N 2.81Å; N673-V675 VanDerWaalsContact C-N 3.34Å; N673-V675 PolarHBondContact O-N 2.86Å; V675-G679 PolarHBondContact O-N 3.3Å
676	L	92	Very high	90.1	Very high	117 Å²	117	43.9 Å²	43.9	61%	0.613	25%	0.25	S	C	*	.	H	α-helix	trans	-60.8	-50.6	-180	-178.7	67.4	0	0	0	111.3	Y672 N673 V674 G679 V680	Y672-L676 PolarHBondContact O-N 3.39Å; Y672-L676 VanDerWaalsContact O-N 3.14Å; N673-L676 PolarHBondContact O-N 2.74Å; V674-L676 PolarHBondContact O-N 2.79Å; L676-G679 PolarHBondContact O-N 2.86Å; L676-V680 WeakPolarHBondContact O-CG2 3.38Å; L676-V680 PolarHBondContact O-N 3.29Å; L676-V680 VanDerWaalsContact O-N 3.12Å
677	I	93.1	Very high	90.1	Very high	19 Å²	19	47 Å²	47	10%	0.097	27%	0.269	C	S	.	.	H	α-helix	trans	-69.1	-41.3	-176.2	-62.4	165.7	0	0	0	111.1	N673 V680 G681 F702 F705 C706	N673-I677 WeakPolarHBondContact O-CG1 3.47Å; N673-I677 PolarHBondContact O-N 3.47Å; N673-I677 VanDerWaalsContact O-N 3.09Å; N673-I677 WeakPolarHBondContact OD1-CD1 3.25Å; I677-V680 PolarHBondContact O-N 2.78Å; I677-G681 PolarHBondContact O-N 3.02Å; I677-F702 HydrophobicContact CG2-CB 3.77Å; I677-F702 HydrophobicContact CG2-CD1 4.37Å; I677-F702 HydrophobicContact CG2-CG 4.1Å; I677-F705 HydrophobicContact CD1-CD1 3.54Å; I677-F705 HydrophobicContact CD1-CE1 3.82Å; I677-F705 HydrophobicContact CG1-CD1 4.46Å; I677-C706 HydrophobicContact CB-CB 4.3Å; I677-C706 HydrophobicContact CD1-CB 3.69Å; I677-C706 HydrophobicContact CG2-CB 3.98Å
678	C	91.9	Very high	90.2	Very high	38 Å²	38	48.2 Å²	48.2	26%	0.257	28%	0.276	S	S	.	.	H	α-helix	trans	-64.3	-41.1	177.4	-72.4	0	0	0	0	112	L643 V674 G681 V682	L643-C678 HydrophobicContact CD1-CB 4.37Å; V674-C678 VanDerWaalsContact O-CB 3.23Å; V674-C678 WeakPolarHBondContact O-CB 3.31Å; V674-C678 PolarHBondContact O-N 3.45Å; V674-C678 PolarHBondContact O-SG 3.1Å; C678-G681 PolarHBondContact O-N 3.15Å; C678-V682 WeakPolarHBondContact O-CG2 3.47Å; C678-V682 PolarHBondContact O-N 2.85Å; C678-V682 VanDerWaalsContact O-N 3.07Å
679	G	90	Very high	89.9	Confident	47 Å²	47	53.3 Å²	53.3	49%	0.485	30%	0.298	S	S	.	.	H	α-helix	trans	-61.6	-48.3	177.2	0	0	0	0	0	112.4	V675 L676 A683	V675-G679 PolarHBondContact O-N 3.3Å; L676-G679 PolarHBondContact O-N 2.86Å; G679-A683 PolarHBondContact O-N 2.94Å
680	V	92.4	Very high	89.6	Confident	65 Å²	65	53.5 Å²	53.5	39%	0.394	30%	0.301	S	S	.	.	H	α-helix	trans	-67.2	-40.7	178	173.3	0	0	0	0	111.7	L676 I677 V682 A683 I684 F702	L676-V680 WeakPolarHBondContact O-CG2 3.38Å; L676-V680 PolarHBondContact O-N 3.29Å; L676-V680 VanDerWaalsContact O-N 3.12Å; I677-V680 PolarHBondContact O-N 2.78Å; V680-V682 PolarHBondContact O-N 3.28Å; V680-A683 PolarHBondContact O-N 3.42Å; V680-I684 HydrophobicContact CG1-CD1 3.72Å; V680-I684 HydrophobicContact CG1-CG1 4.47Å; V680-I684 PolarHBondContact O-N 3.4Å; V680-F702 HydrophobicContact CG1-CE2 4.05Å; V680-F702 HydrophobicContact CG1-CZ 3.92Å
681	G	90.9	Very high	89.4	Confident	16 Å²	16	57.9 Å²	57.9	17%	0.165	32%	0.321	C	S	.	.	H	α-helix	trans	-62.9	-42.1	-179.5	0	0	0	0	0	113.4	I677 C678 I684 S685	I677-G681 PolarHBondContact O-N 3.02Å; C678-G681 PolarHBondContact O-N 3.15Å; G681-I684 PolarHBondContact O-N 3.3Å; G681-S685 WeakPolarHBondContact O-CB 3.19Å; G681-S685 PolarHBondContact O-N 2.9Å
682	V	89.7	Confident	89.3	Confident	51 Å²	51	60 Å²	60	31%	0.309	33%	0.334	S	S	.	.	H	α-helix	trans	-63.1	-46.6	175.7	172.1	0	0	0	0	110.5	Y636 C678 V680 I684 S685 F686	Y636-V682 HydrophobicContact CE1-CG2 4.29Å; Y636-V682 HydrophobicContact CE2-CG1 4.43Å; C678-V682 WeakPolarHBondContact O-CG2 3.47Å; C678-V682 PolarHBondContact O-N 2.85Å; C678-V682 VanDerWaalsContact O-N 3.07Å; V680-V682 PolarHBondContact O-N 3.28Å; V682-I684 PolarHBondContact O-N 3.49Å; V682-S685 PolarHBondContact O-N 2.97Å; V682-S685 PolarHBondContact O-OG 3.31Å; V682-F686 HydrophobicContact CG1-CD2 4.23Å; V682-F686 HydrophobicContact CG1-CE2 3.86Å; V682-F686 VanDerWaalsContact O-CD2 3.3Å; V682-F686 WeakPolarHBondContact O-CD2 3.48Å; V682-F686 PolarHBondContact O-N 3.05Å
683	A	90.4	Very high	89.4	Confident	53 Å²	53	57.7 Å²	57.7	44%	0.438	33%	0.328	S	S	.	.	H	α-helix	trans	-58.8	-45.5	179	0	0	0	0	0	112.3	G679 V680 S685 F686	G679-A683 PolarHBondContact O-N 2.94Å; V680-A683 PolarHBondContact O-N 3.42Å; A683-S685 VanDerWaalsContact C-N 3.34Å; A683-S685 PolarHBondContact O-N 2.88Å; A683-F686 PolarHBondContact O-N 3.43Å
684	I	91.6	Very high	89.4	Confident	46 Å²	46	60.5 Å²	60.5	24%	0.236	34%	0.34	C	S	.	.	H	α-helix	trans	-67.4	-35.6	179.8	-71.8	172.9	0	0	0	111.8	V680 G681 V682 F686 I687 L688 I698 F702	V680-I684 HydrophobicContact CG1-CD1 3.72Å; V680-I684 HydrophobicContact CG1-CG1 4.47Å; V680-I684 PolarHBondContact O-N 3.4Å; G681-I684 PolarHBondContact O-N 3.3Å; V682-I684 PolarHBondContact O-N 3.49Å; I684-F686 PolarHBondContact O-N 3.47Å; I684-I687 PolarHBondContact O-N 3.5Å; I684-L688 HydrophobicContact CG2-CD1 3.59Å; I684-L688 HydrophobicContact CG2-CG 4.23Å; I684-L688 PolarHBondContact O-N 3.32Å; I684-L688 VanDerWaalsContact O-N 3.11Å; I684-I698 HydrophobicContact CG2-CG2 3.85Å; I684-F702 HydrophobicContact CD1-CE2 3.69Å; I684-F702 HydrophobicContact CD1-CZ 3.8Å
685	S	86.6	Confident	89.4	Confident	24 Å²	24	61.2 Å²	61.2	17%	0.168	35%	0.346	C	S	.	.	H	α-helix	trans	-61.4	-28.4	178.8	75.8	0	0	0	0	113.5	G681 V682 A683 Q689	G681-S685 WeakPolarHBondContact O-CB 3.19Å; G681-S685 PolarHBondContact O-N 2.9Å; V682-S685 PolarHBondContact O-N 2.97Å; V682-S685 PolarHBondContact O-OG 3.31Å; A683-S685 VanDerWaalsContact C-N 3.34Å; A683-S685 PolarHBondContact O-N 2.88Å; S685-Q689 WeakPolarHBondContact O-CG 3.43Å
686	F	85.7	Confident	89.5	Confident	107 Å²	107	59.6 Å²	59.6	47%	0.469	34%	0.335	S	S	.	.	H	α-helix	trans	-77.7	-31.5	174.4	-78.4	-72.5	0	0	0	113	V682 A683 I684	V682-F686 HydrophobicContact CG1-CD2 4.23Å; V682-F686 HydrophobicContact CG1-CE2 3.86Å; V682-F686 VanDerWaalsContact O-CD2 3.3Å; V682-F686 WeakPolarHBondContact O-CD2 3.48Å; V682-F686 PolarHBondContact O-N 3.05Å; A683-F686 PolarHBondContact O-N 3.43Å; I684-F686 PolarHBondContact O-N 3.47Å
687	I	89.9	Confident	89.6	Confident	135 Å²	135	56.5 Å²	56.5	69%	0.692	32%	0.318	S	S	*	.	H	α-helix	trans	-77.7	-38.4	-176.5	-63.3	168.4	0	0	0	111.2	I684	I684-I687 PolarHBondContact O-N 3.5Å
688	L	88.1	Confident	89.6	Confident	29 Å²	29	58 Å²	58	15%	0.152	33%	0.326	C	S	.	.	S	Bend	trans	-97.7	19.4	-171.2	-64.6	176.5	0	0	0	114.6	I684 D690 Q691 C695 I698	I684-L688 HydrophobicContact CG2-CD1 3.59Å; I684-L688 HydrophobicContact CG2-CG 4.23Å; I684-L688 PolarHBondContact O-N 3.32Å; I684-L688 VanDerWaalsContact O-N 3.11Å; L688-D690 PolarHBondContact O-N 3.03Å; L688-D690 VanDerWaalsContact O-N 3.12Å; L688-Q691 PolarHBondContact O-N 2.84Å; L688-C695 HydrophobicContact CB-CB 4.02Å; L688-C695 WeakPolarHBondContact O-CB 3.28Å; L688-I698 HydrophobicContact CD1-CD1 3.44Å; L688-I698 VanDerWaalsContact CD1-CD1 3.44Å
689	Q	80.4	Confident	89.7	Confident	113 Å²	113	58.3 Å²	58.3	53%	0.528	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-27.9	-173.3	-67.1	-174.3	-11.5	0	0	114.7	S685	S685-Q689 WeakPolarHBondContact O-CG 3.43Å
690	D	82.7	Confident	89.9	Confident	83 Å²	83	56 Å²	56	44%	0.444	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-10.8	-179.2	-67.6	-29.2	0	0	0	113.6	K602 L604 L688	K602-D690 IonicContact NZ-OD1 3.61Å; K602-D690 PolarHBondContact NZ-OD1 3.24Å; L604-D690 HydrophobicContact CD2-CB 4.15Å; L688-D690 PolarHBondContact O-N 3.03Å; L688-D690 VanDerWaalsContact O-N 3.12Å
691	Q	87	Confident	90	Very high	92 Å²	92	56.7 Å²	56.7	43%	0.43	30%	0.302	S	S	.	.			trans	-107	86.5	-175.4	-81.8	-168.8	-6.5	0	0	110.6	L688 N693 E694 C695	L688-Q691 PolarHBondContact O-N 2.84Å; Q691-N693 PolarHBondContact O-N 3.02Å; Q691-E694 HydrophobicContact CB-CB 4.08Å; Q691-E694 HydrophobicContact CB-CG 4.34Å; Q691-E694 VanDerWaalsContact CB-OE2 3.3Å; Q691-E694 WeakPolarHBondContact CB-OE2 3.49Å; Q691-E694 PolarHBondContact O-N 3.28Å; Q691-C695 WeakPolarHBondContact O-CB 3.46Å; Q691-C695 PolarHBondContact O-N 3.08Å
692	V	88.5	Confident	90.2	Very high	44 Å²	44	58.6 Å²	58.6	27%	0.267	31%	0.306	S	S	.	.	H	α-helix	trans	-58.1	-44.8	-169.3	-179.3	0	0	0	0	113	V453 V620 Y696	V453-V692 HydrophobicContact CG2-CG1 3.7Å; V620-V692 HydrophobicContact CB-CG2 4.24Å; V620-V692 HydrophobicContact CG1-CG2 3.58Å; V692-Y696 WeakPolarHBondContact O-CB 3.46Å; V692-Y696 PolarHBondContact O-N 3.16Å
693	N	91.4	Very high	90.4	Very high	52 Å²	52	57.4 Å²	57.4	28%	0.278	30%	0.297	S	S	.	.	H	α-helix	trans	-71.2	-49.5	-177.5	-76.8	-23.9	0	0	0	111.3	V453 D454 Q691 C695 Y696 I697	V453-N693 VanDerWaalsContact CA-OD1 3.31Å; V453-N693 WeakPolarHBondContact CA-OD1 3.2Å; D454-N693 PolarHBondContact N-OD1 2.9Å; Q691-N693 PolarHBondContact O-N 3.02Å; N693-C695 PolarHBondContact O-N 3.02Å; N693-Y696 PolarHBondContact O-N 3.11Å; N693-I697 WeakPolarHBondContact O-CB 3.23Å; N693-I697 WeakPolarHBondContact O-CD1 3.27Å; N693-I697 VanDerWaalsContact O-CG1 3.24Å; N693-I697 WeakPolarHBondContact O-CG1 3.45Å; N693-I697 PolarHBondContact O-N 3.46Å
694	E	91.4	Very high	90.6	Very high	82 Å²	82	55.3 Å²	55.3	38%	0.383	28%	0.279	S	S	.	.	H	α-helix	trans	-63.5	-44	-176.6	-59.7	86.1	162.5	0	0	110.8	Q691 I697 I698	Q691-E694 HydrophobicContact CB-CB 4.08Å; Q691-E694 HydrophobicContact CB-CG 4.34Å; Q691-E694 VanDerWaalsContact CB-OE2 3.3Å; Q691-E694 WeakPolarHBondContact CB-OE2 3.49Å; Q691-E694 PolarHBondContact O-N 3.28Å; E694-I697 PolarHBondContact O-N 2.82Å; E694-I698 WeakPolarHBondContact O-CB 3.31Å; E694-I698 WeakPolarHBondContact O-CG1 3.38Å; E694-I698 PolarHBondContact O-N 2.81Å
695	C	91.6	Very high	90.8	Very high	24 Å²	24	58.7 Å²	58.7	16%	0.162	29%	0.292	C	S	.	.	H	α-helix	trans	-61.3	-48.2	176	-171.5	0	0	0	0	111.6	L688 Q691 N693 I699	L688-C695 HydrophobicContact CB-CB 4.02Å; L688-C695 WeakPolarHBondContact O-CB 3.28Å; Q691-C695 WeakPolarHBondContact O-CB 3.46Å; Q691-C695 PolarHBondContact O-N 3.08Å; N693-C695 PolarHBondContact O-N 3.02Å; C695-I699 WeakPolarHBondContact O-CB 3.14Å; C695-I699 VanDerWaalsContact O-CG1 3.28Å; C695-I699 WeakPolarHBondContact O-CG1 3.28Å; C695-I699 PolarHBondContact O-N 2.86Å; C695-I699 WeakPolarHBondContact SG-CD1 3.48Å
696	Y	93.8	Very high	91.2	Very high	15 Å²	15	58.2 Å²	58.2	6%	0.059	29%	0.288	C	S	.	.	H	α-helix	trans	-62.2	-45.8	179	179	-110.9	0	0	0	112.3	V453 V457 F458 M461 V510 L513 G514 V692 N693 S700	V453-Y696 HydrophobicContact CG1-CD1 3.61Å; V453-Y696 HydrophobicContact CG1-CE1 4.08Å; V453-Y696 HydrophobicContact CG1-CG 4.24Å; V453-Y696 HydrophobicContact CG2-CD1 4.34Å; V453-Y696 HydrophobicContact CG2-CG 4.13Å; V457-Y696 HydrophobicContact CG1-CD1 4.01Å; V457-Y696 HydrophobicContact CG1-CE1 4.35Å; F458-Y696 HydrophobicContact CD2-CE1 4.44Å; M461-Y696 HydrophobicContact CB-CE1 4.02Å; M461-Y696 HydrophobicContact CG-CE1 3.87Å; V510-Y696 PolarHBondContact O-OH 2.83Å; L513-Y696 HydrophobicContact CB-CD2 4.39Å; L513-Y696 HydrophobicContact CB-CE2 4.07Å; G514-Y696 VanDerWaalsContact CA-CE2 3.42Å; V692-Y696 WeakPolarHBondContact O-CB 3.46Å; V692-Y696 PolarHBondContact O-N 3.16Å; N693-Y696 PolarHBondContact O-N 3.11Å; Y696-S700 WeakPolarHBondContact CE2-OG 3.35Å; Y696-S700 WeakPolarHBondContact O-CB 3.33Å; Y696-S700 PolarHBondContact O-N 3.43Å; Y696-S700 PolarHBondContact O-OG 2.94Å
697	I	94.2	Very high	91.6	Very high	51 Å²	51	53.6 Å²	53.6	26%	0.262	27%	0.269	S	S	.	.	H	α-helix	trans	-60.6	-52.5	179.8	-69.9	165.6	0	0	0	110.6	V457 M461 N693 E694 S700 L701	V457-I697 HydrophobicContact CG1-CD1 3.75Å; V457-I697 HydrophobicContact CG1-CG1 3.4Å; V457-I697 VanDerWaalsContact CG1-CG1 3.4Å; V457-I697 HydrophobicContact CG2-CD1 4.12Å; M461-I697 HydrophobicContact CE-CB 4.49Å; M461-I697 HydrophobicContact CE-CG1 4.36Å; M461-I697 HydrophobicContact CE-CG2 4.06Å; N693-I697 WeakPolarHBondContact O-CB 3.23Å; N693-I697 WeakPolarHBondContact O-CD1 3.27Å; N693-I697 VanDerWaalsContact O-CG1 3.24Å; N693-I697 WeakPolarHBondContact O-CG1 3.45Å; N693-I697 PolarHBondContact O-N 3.46Å; E694-I697 PolarHBondContact O-N 2.82Å; I697-S700 PolarHBondContact O-N 2.99Å; I697-L701 HydrophobicContact CG2-CD1 3.78Å; I697-L701 HydrophobicContact CG2-CG 4.4Å; I697-L701 WeakPolarHBondContact O-CB 3.38Å; I697-L701 VanDerWaalsContact O-CG 3.27Å; I697-L701 WeakPolarHBondContact O-CG 3.42Å; I697-L701 PolarHBondContact O-N 2.94Å
698	I	93.8	Very high	91.9	Very high	52 Å²	52	50.1 Å²	50.1	27%	0.267	25%	0.254	S	S	.	.	H	α-helix	trans	-67.6	-44.3	-172.6	-67.7	164.6	0	0	0	111.1	I684 L688 E694 L701 F702	I684-I698 HydrophobicContact CG2-CG2 3.85Å; L688-I698 HydrophobicContact CD1-CD1 3.44Å; L688-I698 VanDerWaalsContact CD1-CD1 3.44Å; E694-I698 WeakPolarHBondContact O-CB 3.31Å; E694-I698 WeakPolarHBondContact O-CG1 3.38Å; E694-I698 PolarHBondContact O-N 2.81Å; I698-L701 PolarHBondContact O-N 3.07Å; I698-F702 HydrophobicContact CG2-CD2 4Å; I698-F702 HydrophobicContact CG2-CE2 3.59Å; I698-F702 HydrophobicContact CG2-CZ 3.89Å; I698-F702 WeakPolarHBondContact O-CG 3.47Å; I698-F702 PolarHBondContact O-N 2.79Å
699	I	92.9	Very high	92.2	Very high	43 Å²	43	51.6 Å²	51.6	22%	0.221	26%	0.262	C	S	.	.	H	α-helix	trans	-63.8	-43.9	177.7	-66.6	175.3	0	0	0	110.7	L513 C695 L701 F702 I703	L513-I699 HydrophobicContact CD1-CG2 4.21Å; C695-I699 WeakPolarHBondContact O-CB 3.14Å; C695-I699 VanDerWaalsContact O-CG1 3.28Å; C695-I699 WeakPolarHBondContact O-CG1 3.28Å; C695-I699 PolarHBondContact O-N 2.86Å; C695-I699 WeakPolarHBondContact SG-CD1 3.48Å; I699-L701 PolarHBondContact O-N 3.4Å; I699-F702 PolarHBondContact O-N 2.81Å; I699-I703 HydrophobicContact CG2-CD1 3.85Å; I699-I703 WeakPolarHBondContact O-CG1 3.32Å; I699-I703 PolarHBondContact O-N 2.77Å
700	S	94.7	Very high	92.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61	-45.5	178.2	-61.5	0	0	0	0	111.7	V510 Y696 I697 F702 I703 I704	V510-S700 WeakPolarHBondContact CG1-OG 3.31Å; Y696-S700 WeakPolarHBondContact CE2-OG 3.35Å; Y696-S700 WeakPolarHBondContact O-CB 3.33Å; Y696-S700 PolarHBondContact O-N 3.43Å; Y696-S700 PolarHBondContact O-OG 2.94Å; I697-S700 PolarHBondContact O-N 2.99Å; S700-F702 PolarHBondContact O-N 3.35Å; S700-I703 PolarHBondContact O-N 2.74Å; S700-I704 WeakPolarHBondContact O-CB 3.3Å; S700-I704 WeakPolarHBondContact O-CD1 3.39Å; S700-I704 WeakPolarHBondContact O-CG1 3.34Å; S700-I704 PolarHBondContact O-N 3.49Å
701	L	94.5	Very high	93.3	Very high	78 Å²	78	42.7 Å²	42.7	41%	0.408	22%	0.218	S	C	.	.	H	α-helix	trans	-62.8	-42	177.9	-73.8	175	0	0	0	112.2	M461 I697 I698 I699 I704 F705	M461-L701 HydrophobicContact CE-CD2 4.16Å; M461-L701 HydrophobicContact CE-CG 4.14Å; M461-L701 HydrophobicContact SD-CD2 4.5Å; I697-L701 HydrophobicContact CG2-CD1 3.78Å; I697-L701 HydrophobicContact CG2-CG 4.4Å; I697-L701 WeakPolarHBondContact O-CB 3.38Å; I697-L701 VanDerWaalsContact O-CG 3.27Å; I697-L701 WeakPolarHBondContact O-CG 3.42Å; I697-L701 PolarHBondContact O-N 2.94Å; I698-L701 PolarHBondContact O-N 3.07Å; I699-L701 PolarHBondContact O-N 3.4Å; L701-I704 PolarHBondContact O-N 3.32Å; L701-F705 WeakPolarHBondContact O-CB 3.31Å; L701-F705 PolarHBondContact O-N 3.43Å
702	F	94.5	Very high	93.6	Very high	57 Å²	57	39.6 Å²	39.6	25%	0.25	21%	0.211	C	C	.	.	H	α-helix	trans	-63.5	-42.7	175.9	-74.6	-19.2	0	0	0	112.9	I677 V680 I684 I698 I699 S700 C706	I677-F702 HydrophobicContact CG2-CB 3.77Å; I677-F702 HydrophobicContact CG2-CD1 4.37Å; I677-F702 HydrophobicContact CG2-CG 4.1Å; V680-F702 HydrophobicContact CG1-CE2 4.05Å; V680-F702 HydrophobicContact CG1-CZ 3.92Å; I684-F702 HydrophobicContact CD1-CE2 3.69Å; I684-F702 HydrophobicContact CD1-CZ 3.8Å; I698-F702 HydrophobicContact CG2-CD2 4Å; I698-F702 HydrophobicContact CG2-CE2 3.59Å; I698-F702 HydrophobicContact CG2-CZ 3.89Å; I698-F702 WeakPolarHBondContact O-CG 3.47Å; I698-F702 PolarHBondContact O-N 2.79Å; I699-F702 PolarHBondContact O-N 2.81Å; S700-F702 PolarHBondContact O-N 3.35Å; F702-C706 WeakPolarHBondContact O-CB 2.95Å; F702-C706 PolarHBondContact O-N 2.9Å
703	I	94.8	Very high	93.8	Very high	25 Å²	25	39.4 Å²	39.4	13%	0.128	21%	0.208	C	C	.	.	H	α-helix	trans	-62.6	-51.9	176.6	-66.2	168.3	0	0	0	109.7	V510 L513 L536 I699 S700 F705 C706 T707	V510-I703 HydrophobicContact CG2-CB 3.92Å; V510-I703 HydrophobicContact CG2-CD1 4.2Å; V510-I703 HydrophobicContact CG2-CG2 3.56Å; L513-I703 HydrophobicContact CD1-CD1 4Å; L536-I703 HydrophobicContact CD1-CD1 4.1Å; I699-I703 HydrophobicContact CG2-CD1 3.85Å; I699-I703 WeakPolarHBondContact O-CG1 3.32Å; I699-I703 PolarHBondContact O-N 2.77Å; S700-I703 PolarHBondContact O-N 2.74Å; I703-F705 PolarHBondContact O-N 2.85Å; I703-C706 PolarHBondContact O-N 2.91Å; I703-T707 HydrophobicContact CG2-CG2 4.4Å; I703-T707 WeakPolarHBondContact O-CG2 3.45Å; I703-T707 PolarHBondContact O-N 2.84Å; I703-T707 PolarHBondContact O-OG1 3.34Å
704	I	95.6	Very high	93.8	Very high	10 Å²	10	37 Å²	37	5%	0.051	20%	0.195	C	C	.	.	H	α-helix	trans	-60	-47.2	-178.5	-67.1	167.2	0	0	0	111.2	M461 L464 V465 V510 S700 L701 T707 T708	M461-I704 HydrophobicContact SD-CD1 4.48Å; L464-I704 HydrophobicContact CD2-CD1 3.75Å; L464-I704 HydrophobicContact CD2-CG2 4.13Å; L464-I704 HydrophobicContact CG-CD1 4.15Å; L464-I704 HydrophobicContact CG-CG2 4.3Å; V465-I704 HydrophobicContact CG2-CD1 3.64Å; V465-I704 HydrophobicContact CG2-CG1 4.01Å; V510-I704 HydrophobicContact CG1-CD1 4.42Å; V510-I704 HydrophobicContact CG2-CG1 4.42Å; S700-I704 WeakPolarHBondContact O-CB 3.3Å; S700-I704 WeakPolarHBondContact O-CD1 3.39Å; S700-I704 WeakPolarHBondContact O-CG1 3.34Å; S700-I704 PolarHBondContact O-N 3.49Å; L701-I704 PolarHBondContact O-N 3.32Å; I704-T707 PolarHBondContact O-OG1 3.34Å; I704-T708 WeakPolarHBondContact O-CB 3.49Å; I704-T708 PolarHBondContact O-N 3.46Å; I704-T708 PolarHBondContact O-OG1 2.89Å
705	F	94.7	Very high	93.8	Very high	117 Å²	117	33.4 Å²	33.4	51%	0.513	18%	0.178	S	C	.	.	H	α-helix	trans	-64.2	-46	-179.3	179.3	-108.4	0	0	0	111.4	I677 L701 I703 L709	I677-F705 HydrophobicContact CD1-CD1 3.54Å; I677-F705 HydrophobicContact CD1-CE1 3.82Å; I677-F705 HydrophobicContact CG1-CD1 4.46Å; L701-F705 WeakPolarHBondContact O-CB 3.31Å; L701-F705 PolarHBondContact O-N 3.43Å; I703-F705 PolarHBondContact O-N 2.85Å; F705-L709 HydrophobicContact CE1-CD2 4.13Å; F705-L709 HydrophobicContact CZ-CD2 3.88Å; F705-L709 WeakPolarHBondContact O-CB 3.44Å; F705-L709 PolarHBondContact O-N 3.22Å
706	C	94.7	Very high	93.7	Very high	13 Å²	13	36.2 Å²	36.2	9%	0.088	19%	0.194	C	C	.	.	H	α-helix	trans	-59.8	-49.7	179.3	-174.9	0	0	0	0	112	I677 F702 I703 T710	I677-C706 HydrophobicContact CB-CB 4.3Å; I677-C706 HydrophobicContact CD1-CB 3.69Å; I677-C706 HydrophobicContact CG2-CB 3.98Å; F702-C706 WeakPolarHBondContact O-CB 2.95Å; F702-C706 PolarHBondContact O-N 2.9Å; I703-C706 PolarHBondContact O-N 2.91Å; C706-T710 WeakPolarHBondContact O-CB 3.36Å; C706-T710 PolarHBondContact O-N 3.46Å; C706-T710 PolarHBondContact O-OG1 3.06Å
707	T	94.6	Very high	93.4	Very high	11 Å²	11	37.2 Å²	37.2	7%	0.067	20%	0.203	C	C	.	.	H	α-helix	trans	-72.1	-38.7	-177	55.1	0	0	0	0	112	T506 Y507 I703 I704 T710 L711	T506-T707 HydrophobicContact CG2-CG2 4.4Å; T506-T707 WeakPolarHBondContact OG1-CG2 3.43Å; Y507-T707 WeakPolarHBondContact CE1-OG1 3.47Å; Y507-T707 VanDerWaalsContact CZ-OG1 3.25Å; Y507-T707 PolarHBondContact OH-OG1 2.86Å; I703-T707 HydrophobicContact CG2-CG2 4.4Å; I703-T707 WeakPolarHBondContact O-CG2 3.45Å; I703-T707 PolarHBondContact O-N 2.84Å; I703-T707 PolarHBondContact O-OG1 3.34Å; I704-T707 PolarHBondContact O-OG1 3.34Å; T707-T710 WeakPolarHBondContact O-CB 3.46Å; T707-T710 PolarHBondContact O-N 2.82Å; T707-L711 PolarHBondContact O-N 2.88Å
708	T	95.3	Very high	93.1	Very high	62 Å²	62	36 Å²	36	38%	0.38	20%	0.196	S	C	.	.	H	α-helix	trans	-66	-46.6	177.4	-56.7	0	0	0	0	111.2	Y507 I704 T710 L711 G712	Y507-T708 WeakPolarHBondContact OH-CA 3.38Å; Y507-T708 PolarHBondContact OH-N 2.92Å; Y507-T708 PolarHBondContact OH-OG1 3.37Å; I704-T708 WeakPolarHBondContact O-CB 3.49Å; I704-T708 PolarHBondContact O-N 3.46Å; I704-T708 PolarHBondContact O-OG1 2.89Å; T708-T710 VanDerWaalsContact C-N 3.28Å; T708-T710 PolarHBondContact O-N 2.81Å; T708-L711 PolarHBondContact O-N 2.86Å; T708-G712 PolarHBondContact O-N 2.61Å
709	L	94.4	Very high	92.8	Very high	60 Å²	60	36.4 Å²	36.4	31%	0.314	20%	0.198	S	C	.	.	H	α-helix	trans	-63.2	-39.1	178	-178	52.9	0	0	0	111.1	N673 F705 G712 L713	N673-L709 HydrophobicContact CB-CD2 4.5Å; N673-L709 VanDerWaalsContact CG-CD2 3.5Å; N673-L709 WeakPolarHBondContact ND2-CD2 3.41Å; F705-L709 HydrophobicContact CE1-CD2 4.13Å; F705-L709 HydrophobicContact CZ-CD2 3.88Å; F705-L709 WeakPolarHBondContact O-CB 3.44Å; F705-L709 PolarHBondContact O-N 3.22Å; L709-G712 PolarHBondContact O-N 3.43Å; L709-L713 HydrophobicContact CD1-CD1 4.24Å; L709-L713 HydrophobicContact CD1-CG 4.13Å; L709-L713 HydrophobicContact CG-CD1 4.21Å; L709-L713 WeakPolarHBondContact O-CB 3.25Å; L709-L713 VanDerWaalsContact O-CG 3.31Å; L709-L713 WeakPolarHBondContact O-CG 3.46Å; L709-L713 PolarHBondContact O-N 2.93Å
710	T	93.3	Very high	92.5	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.012	21%	0.213	C	C	.	.	H	α-helix	trans	-60.5	-48.7	174.5	-68.2	0	0	0	0	112.6	T543 M547 S670 C706 T707 T708 V714	T543-T710 HydrophobicContact CG2-CG2 4.24Å; M547-T710 HydrophobicContact CE-CG2 3.05Å; M547-T710 HydrophobicContact SD-CG2 3.97Å; S670-T710 WeakPolarHBondContact OG-CA 3.46Å; S670-T710 WeakPolarHBondContact OG-CB 3.26Å; S670-T710 VanDerWaalsContact OG-CG2 3.31Å; S670-T710 WeakPolarHBondContact OG-CG2 3.33Å; S670-T710 PolarHBondContact OG-OG1 3.47Å; C706-T710 WeakPolarHBondContact O-CB 3.36Å; C706-T710 PolarHBondContact O-N 3.46Å; C706-T710 PolarHBondContact O-OG1 3.06Å; T707-T710 WeakPolarHBondContact O-CB 3.46Å; T707-T710 PolarHBondContact O-N 2.82Å; T708-T710 VanDerWaalsContact C-N 3.28Å; T708-T710 PolarHBondContact O-N 2.81Å; T710-V714 VanDerWaalsContact O-CG2 3.3Å; T710-V714 WeakPolarHBondContact O-CG2 3.23Å; T710-V714 PolarHBondContact O-N 3.33Å; T710-V714 VanDerWaalsContact O-N 3.14Å
711	L	94	Very high	91.8	Very high	6 Å²	6	41.1 Å²	41.1	3%	0.031	23%	0.225	C	C	.	.	H	α-helix	trans	-63.1	-42.1	174.9	-74.9	175.9	0	0	0	111.7	A472 L475 I499 I500 Y507 T707 T708 V714 F715	A472-L711 HydrophobicContact CB-CD1 4.07Å; L475-L711 HydrophobicContact CD1-CB 4.36Å; I499-L711 HydrophobicContact CG2-CD2 4.41Å; I500-L711 HydrophobicContact CG1-CD2 4.08Å; Y507-L711 HydrophobicContact CE2-CD1 4.05Å; T707-L711 PolarHBondContact O-N 2.88Å; T708-L711 PolarHBondContact O-N 2.86Å; L711-V714 PolarHBondContact O-N 2.97Å; L711-F715 HydrophobicContact CD2-CD2 3.93Å; L711-F715 HydrophobicContact CD2-CE2 3.78Å; L711-F715 WeakPolarHBondContact O-CB 3.47Å; L711-F715 WeakPolarHBondContact O-CD2 3.48Å; L711-F715 PolarHBondContact O-N 2.88Å
712	G	93.1	Very high	91.3	Very high	27 Å²	27	38.1 Å²	38.1	28%	0.278	21%	0.209	S	C	.	.	H	α-helix	trans	-56.5	-53.5	176.5	0	0	0	0	0	112	T708 L709 V714 V716	T708-G712 PolarHBondContact O-N 2.61Å; L709-G712 PolarHBondContact O-N 3.43Å; G712-V714 VanDerWaalsContact C-N 3.32Å; G712-V714 PolarHBondContact O-N 3.34Å; G712-V716 WeakPolarHBondContact O-CB 3.36Å; G712-V716 WeakPolarHBondContact O-CG2 3.32Å; G712-V716 PolarHBondContact O-N 3.03Å
713	L	92.5	Very high	90.8	Very high	41 Å²	41	38.8 Å²	38.8	22%	0.215	22%	0.217	C	C	.	.	H	α-helix	trans	-61.4	-38.4	-179.7	-70.7	173.5	0	0	0	112.7	Y666 M669 L709 P717	Y666-L713 WeakPolarHBondContact CB-O 3.43Å; M669-L713 HydrophobicContact CB-CD1 4.32Å; L709-L713 HydrophobicContact CD1-CD1 4.24Å; L709-L713 HydrophobicContact CD1-CG 4.13Å; L709-L713 HydrophobicContact CG-CD1 4.21Å; L709-L713 WeakPolarHBondContact O-CB 3.25Å; L709-L713 VanDerWaalsContact O-CG 3.31Å; L709-L713 WeakPolarHBondContact O-CG 3.46Å; L709-L713 PolarHBondContact O-N 2.93Å; L713-P717 VanDerWaalsContact O-CD 3.27Å; L713-P717 WeakPolarHBondContact O-CD 3.33Å; L713-P717 WeakPolarHBondContact O-CG 3.44Å
714	V	91	Very high	90.1	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-80.2	-33.6	-176	175	0	0	0	0	113.1	I499 M547 I667 T710 L711 G712 K718	I499-V714 HydrophobicContact CD1-CG1 4.4Å; M547-V714 HydrophobicContact CE-CG2 4.44Å; I667-V714 HydrophobicContact CG1-CG2 4.18Å; T710-V714 VanDerWaalsContact O-CG2 3.3Å; T710-V714 WeakPolarHBondContact O-CG2 3.23Å; T710-V714 PolarHBondContact O-N 3.33Å; T710-V714 VanDerWaalsContact O-N 3.14Å; L711-V714 PolarHBondContact O-N 2.97Å; G712-V714 VanDerWaalsContact C-N 3.32Å; G712-V714 PolarHBondContact O-N 3.34Å; V714-K718 WeakPolarHBondContact O-CD 3.27Å; V714-K718 WeakPolarHBondContact O-CE 3.44Å; V714-K718 PolarHBondContact O-NZ 3.12Å
715	F	91.7	Very high	89	Confident	7 Å²	7	42.4 Å²	42.4	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-109.6	-29.4	-170.9	-69.8	-81.7	0	0	0	114.8	L475 N479 N496 I499 I500 L711 K718 I719	L475-F715 HydrophobicContact CD1-CB 4.22Å; L475-F715 HydrophobicContact CD1-CD2 4.39Å; L475-F715 HydrophobicContact CD1-CG 4.39Å; L475-F715 HydrophobicContact CD2-CB 4.14Å; N479-F715 HydrophobicContact CB-CE1 4.46Å; N496-F715 HydrophobicContact CB-CE1 3.97Å; N496-F715 HydrophobicContact CB-CZ 3.89Å; I499-F715 HydrophobicContact CG2-CE2 4.29Å; I500-F715 HydrophobicContact CD1-CD1 4.47Å; I500-F715 HydrophobicContact CD1-CE1 3.64Å; I500-F715 HydrophobicContact CD1-CE2 3.9Å; I500-F715 HydrophobicContact CD1-CZ 3.32Å; I500-F715 HydrophobicContact CG1-CD2 4.46Å; I500-F715 HydrophobicContact CG1-CE1 4.22Å; I500-F715 HydrophobicContact CG1-CE2 3.53Å; I500-F715 HydrophobicContact CG1-CZ 3.39Å; L711-F715 HydrophobicContact CD2-CD2 3.93Å; L711-F715 HydrophobicContact CD2-CE2 3.78Å; L711-F715 WeakPolarHBondContact O-CB 3.47Å; L711-F715 WeakPolarHBondContact O-CD2 3.48Å; L711-F715 PolarHBondContact O-N 2.88Å; F715-K718 HydrophobicContact CD1-CD 4.4Å; F715-K718 WeakPolarHBondContact O-CB 3.32Å; F715-K718 PolarHBondContact O-N 3.27Å; F715-K718 VanDerWaalsContact O-N 3.11Å; F715-I719 WeakPolarHBondContact O-CG1 3.41Å; F715-I719 PolarHBondContact O-N 2.75Å
716	V	89.9	Confident	87.9	Confident	82 Å²	82	45.5 Å²	45.5	50%	0.497	25%	0.245	S	C	.	.	H	α-helix	trans	-58.7	-47.5	179.4	173.1	0	0	0	0	111.8	G712 K718 I719 V720	G712-V716 WeakPolarHBondContact O-CB 3.36Å; G712-V716 WeakPolarHBondContact O-CG2 3.32Å; G712-V716 PolarHBondContact O-N 3.03Å; V716-K718 PolarHBondContact O-N 3.19Å; V716-I719 PolarHBondContact O-N 3.45Å; V716-V720 HydrophobicContact CG1-CG2 4.25Å; V716-V720 WeakPolarHBondContact O-CG2 3.4Å; V716-V720 PolarHBondContact O-N 3.22Å
717	P	87.3	Confident	86.8	Confident	37 Å²	37	54.1 Å²	54.1	24%	0.24	28%	0.276	C	S	.	.	H	α-helix	trans	-59.8	-33.8	177.3	-23.7	34.7	0	0	0	113	Y666 L713 E721	Y666-P717 HydrophobicContact CD1-CG 3.97Å; Y666-P717 HydrophobicContact CD2-CB 4.17Å; Y666-P717 HydrophobicContact CD2-CG 3.85Å; Y666-P717 HydrophobicContact CE1-CG 3.87Å; Y666-P717 HydrophobicContact CE2-CB 3.79Å; Y666-P717 HydrophobicContact CE2-CG 3.74Å; Y666-P717 HydrophobicContact CG-CG 3.97Å; L713-P717 VanDerWaalsContact O-CD 3.27Å; L713-P717 WeakPolarHBondContact O-CD 3.33Å; L713-P717 WeakPolarHBondContact O-CG 3.44Å; P717-E721 WeakPolarHBondContact O-CB 3.39Å; P717-E721 PolarHBondContact O-N 3.35Å; P717-E721 VanDerWaalsContact O-N 3.11Å
718	K	87	Confident	85.3	Confident	25 Å²	25	57.2 Å²	57.2	11%	0.109	29%	0.292	C	S	.	.	H	α-helix	trans	-69.8	-41	178.5	-65.6	173.6	179.7	135.5	0	111.7	S491 N496 D663 V714 F715 V716 L722	S491-K718 WeakPolarHBondContact OG-CE 3.36Å; S491-K718 PolarHBondContact OG-NZ 2.82Å; N496-K718 PolarHBondContact OD1-NZ 3.07Å; D663-K718 WeakPolarHBondContact OD1-CE 3.33Å; D663-K718 IonicContact OD1-NZ 2.77Å; D663-K718 PolarHBondContact OD1-NZ 2.89Å; D663-K718 IonicContact OD2-NZ 3.68Å; V714-K718 WeakPolarHBondContact O-CD 3.27Å; V714-K718 WeakPolarHBondContact O-CE 3.44Å; V714-K718 PolarHBondContact O-NZ 3.12Å; F715-K718 HydrophobicContact CD1-CD 4.4Å; F715-K718 WeakPolarHBondContact O-CB 3.32Å; F715-K718 PolarHBondContact O-N 3.27Å; F715-K718 VanDerWaalsContact O-N 3.11Å; V716-K718 PolarHBondContact O-N 3.19Å; K718-L722 WeakPolarHBondContact O-CD1 3.37Å; K718-L722 VanDerWaalsContact O-CG 3.22Å; K718-L722 WeakPolarHBondContact O-CG 3.39Å; K718-L722 PolarHBondContact O-N 3.43Å
719	I	87.7	Confident	83.7	Confident	60 Å²	60	59.8 Å²	59.8	31%	0.308	31%	0.31	S	S	.	.	H	α-helix	trans	-68.2	-43.6	178.3	-67.2	171	0	0	0	110.6	L475 F715 V716 E721 L722 V723	L475-I719 HydrophobicContact CD2-CD1 3.39Å; F715-I719 WeakPolarHBondContact O-CG1 3.41Å; F715-I719 PolarHBondContact O-N 2.75Å; V716-I719 PolarHBondContact O-N 3.45Å; I719-E721 VanDerWaalsContact C-N 3.31Å; I719-E721 PolarHBondContact O-N 3.33Å; I719-L722 WeakPolarHBondContact O-CB 3.46Å; I719-L722 PolarHBondContact O-N 3.42Å; I719-V723 HydrophobicContact CG2-CG2 4.42Å; I719-V723 WeakPolarHBondContact O-CG2 3.39Å; I719-V723 PolarHBondContact O-N 2.91Å
720	V	86.4	Confident	81.8	Confident	90 Å²	90	62.3 Å²	62.3	55%	0.545	33%	0.328	S	S	.	.	H	α-helix	trans	-58.1	-45.4	176.3	173.3	0	0	0	0	110.7	V716 L722 V723 H724	V716-V720 HydrophobicContact CG1-CG2 4.25Å; V716-V720 WeakPolarHBondContact O-CG2 3.4Å; V716-V720 PolarHBondContact O-N 3.22Å; V720-L722 PolarHBondContact O-N 3.32Å; V720-V723 PolarHBondContact O-N 2.9Å; V720-H724 WeakPolarHBondContact O-CB 3.16Å; V720-H724 PolarHBondContact O-N 3.41Å
721	E	81.5	Confident	80	Confident	53 Å²	53	65.1 Å²	65.1	25%	0.248	34%	0.342	C	S	.	.	H	α-helix	trans	-65.2	-36.9	177.6	-166.1	65.3	-158.1	0	0	112.5	F487 P717 I719 H724 S725 Y733	F487-E721 HydrophobicContact CD1-CG 4.04Å; F487-E721 HydrophobicContact CD2-CG 3.97Å; F487-E721 HydrophobicContact CE1-CG 3.99Å; F487-E721 HydrophobicContact CE2-CG 3.92Å; F487-E721 HydrophobicContact CG-CG 4.02Å; F487-E721 HydrophobicContact CZ-CG 3.92Å; F487-E721 WeakPolarHBondContact CZ-OE1 3.33Å; P717-E721 WeakPolarHBondContact O-CB 3.39Å; P717-E721 PolarHBondContact O-N 3.35Å; P717-E721 VanDerWaalsContact O-N 3.11Å; I719-E721 VanDerWaalsContact C-N 3.31Å; I719-E721 PolarHBondContact O-N 3.33Å; E721-H724 PolarHBondContact O-N 2.7Å; E721-S725 VanDerWaalsContact O-CB 3.26Å; E721-S725 WeakPolarHBondContact O-CB 3.21Å; E721-S725 PolarHBondContact O-N 3.21Å; E721-Y733 PolarHBondContact OE1-OH 3.18Å
722	L	83.7	Confident	77.9	Confident	15 Å²	15	71.7 Å²	71.7	8%	0.079	37%	0.373	C	S	.	.	H	α-helix	trans	-65	-40.7	174.8	-73.6	162.1	0	0	0	112.3	F482 H485 I488 K718 I719 V720 R726	F482-L722 HydrophobicContact CB-CD2 4.28Å; F482-L722 HydrophobicContact CD1-CD2 4.34Å; F482-L722 HydrophobicContact CD2-CD1 4.49Å; F482-L722 HydrophobicContact CG-CD2 4.29Å; H485-L722 HydrophobicContact CB-CD2 4.14Å; H485-L722 WeakPolarHBondContact ND1-CD2 3.1Å; I488-L722 HydrophobicContact CD1-CD1 3.57Å; I488-L722 HydrophobicContact CD1-CD2 4.11Å; I488-L722 HydrophobicContact CD1-CG 4.35Å; I488-L722 HydrophobicContact CG1-CD1 4.32Å; K718-L722 WeakPolarHBondContact O-CD1 3.37Å; K718-L722 VanDerWaalsContact O-CG 3.22Å; K718-L722 WeakPolarHBondContact O-CG 3.39Å; K718-L722 PolarHBondContact O-N 3.43Å; I719-L722 WeakPolarHBondContact O-CB 3.46Å; I719-L722 PolarHBondContact O-N 3.42Å; V720-L722 PolarHBondContact O-N 3.32Å; L722-R726 PolarHBondContact O-N 2.87Å; L722-R726 VanDerWaalsContact O-N 3.12Å
723	V	84.5	Confident	76.1	Confident	70 Å²	70	73.6 Å²	73.6	42%	0.424	37%	0.372	S	S	.	.	H	α-helix	trans	-68	-41.4	176.8	173.6	0	0	0	0	110.4	I719 V720 R726 R727	I719-V723 HydrophobicContact CG2-CG2 4.42Å; I719-V723 WeakPolarHBondContact O-CG2 3.39Å; I719-V723 PolarHBondContact O-N 2.91Å; V720-V723 PolarHBondContact O-N 2.9Å; V723-R726 PolarHBondContact O-N 3.27Å; V723-R727 PolarHBondContact O-N 3.47Å
724	H	80.2	Confident	74.3	Confident	82 Å²	82	74.7 Å²	74.7	38%	0.38	38%	0.382	S	S	.	.	H	α-helix	trans	-64.4	-45.1	176.5	-164.7	64.8	0	0	0	111.6	V720 E721 R726 R727 D728	V720-H724 WeakPolarHBondContact O-CB 3.16Å; V720-H724 PolarHBondContact O-N 3.41Å; E721-H724 PolarHBondContact O-N 2.7Å; H724-R726 PolarHBondContact O-N 3.48Å; H724-R727 PolarHBondContact O-N 2.89Å; H724-D728 PolarHBondContact O-N 3.47Å; H724-D728 VanDerWaalsContact O-N 3.15Å
725	S	71.4	Confident	72.3	Confident	30 Å²	30	83.5 Å²	83.5	21%	0.21	42%	0.415	C	S	.	.	H	α-helix	trans	-66.1	-22	177.5	-172.2	0	0	0	0	113.9	E721	E721-S725 VanDerWaalsContact O-CB 3.26Å; E721-S725 WeakPolarHBondContact O-CB 3.21Å; E721-S725 PolarHBondContact O-N 3.21Å
726	R	72.5	Confident	70.5	Confident	182 Å²	182	86.2 Å²	86.2	69%	0.687	44%	0.439	S	S	*	.	H	α-helix	trans	-76.6	-28.2	170.4	-93.3	-166	178	-169.2	0.2	112.9	L722 V723 H724	L722-R726 PolarHBondContact O-N 2.87Å; L722-R726 VanDerWaalsContact O-N 3.12Å; V723-R726 PolarHBondContact O-N 3.27Å; H724-R726 PolarHBondContact O-N 3.48Å
727	R	71.6	Confident	68.7	Low	194 Å²	194	84.5 Å²	84.5	73%	0.732	43%	0.426	S	S	*	.	H	α-helix	trans	-80.3	-39.1	-179.7	-71.9	-177.9	-178	168.4	0.9	112.1	V723 H724	V723-R727 PolarHBondContact O-N 3.47Å; H724-R727 PolarHBondContact O-N 2.89Å
728	D	62.3	Low	67.1	Low	75 Å²	75	89.6 Å²	89.6	40%	0.401	45%	0.448	S	S	.	.			trans	-121.4	91.1	179.3	-82.1	-48.7	0	0	0	112.4	H724 T730 I731	H724-D728 PolarHBondContact O-N 3.47Å; H724-D728 VanDerWaalsContact O-N 3.15Å; D728-T730 PolarHBondContact O-N 3.48Å; D728-I731 HydrophobicContact CB-CD1 3.82Å; D728-I731 HydrophobicContact CB-CG1 3.86Å
729	P	60.9	Low	65.6	Low	116 Å²	116	97.4 Å²	97.4	75%	0.753	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-9.1	175	26.5	-32.3	0	0	0	113.5
730	T	56.3	Low	64.2	Low	113 Å²	113	96 Å²	96	69%	0.693	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-8.2	-178.2	52.5	0	0	0	0	113.8	D728 Q732	D728-T730 PolarHBondContact O-N 3.48Å; T730-Q732 VanDerWaalsContact C-N 3.29Å; T730-Q732 PolarHBondContact O-N 2.97Å
731	I	54.7	Low	62.7	Low	61 Å²	61	94.9 Å²	94.9	31%	0.313	46%	0.463	S	S	.	.			trans	-76.1	82.8	178.6	-49.9	177.1	0	0	0	110.1	D728 Y733	D728-I731 HydrophobicContact CB-CD1 3.82Å; D728-I731 HydrophobicContact CB-CG1 3.86Å; I731-Y733 VanDerWaalsContact C-N 3.28Å; I731-Y733 HydrophobicContact CB-CD2 4.26Å; I731-Y733 HydrophobicContact CB-CE2 3.77Å; I731-Y733 HydrophobicContact CG2-CD1 4.19Å; I731-Y733 HydrophobicContact CG2-CD2 3.67Å; I731-Y733 HydrophobicContact CG2-CE1 3.84Å; I731-Y733 HydrophobicContact CG2-CE2 3.26Å; I731-Y733 HydrophobicContact CG2-CG 4.12Å; I731-Y733 WeakPolarHBondContact O-CD2 3.14Å; I731-Y733 PolarHBondContact O-N 3.33Å
732	Q	50	Low	61.7	Low	145 Å²	145	100.7 Å²	100.7	68%	0.678	48%	0.484	S	S	*	.			trans	-72.7	82	167.1	-102.3	178	0.9	0	0	110.3	T730 P734	T730-Q732 VanDerWaalsContact C-N 3.29Å; T730-Q732 PolarHBondContact O-N 2.97Å; Q732-P734 VanDerWaalsContact C-N 3.26Å; Q732-P734 VanDerWaalsContact CA-CD 3.48Å; Q732-P734 WeakPolarHBondContact O-CD 3.45Å; Q732-P734 VanDerWaalsContact O-N 3.16Å
733	Y	55.2	Low	60.6	Low	66 Å²	66	102.6 Å²	102.6	26%	0.259	50%	0.502	S	S	.	.	H	α-helix	trans	-51.9	-22.2	165.4	-65.7	-83.5	0	0	0	116.7	F487 E721 I731 R735 M737	F487-Y733 HydrophobicContact CE2-CD2 4.11Å; F487-Y733 AromaticContact CE2-CE2 3.87Å; F487-Y733 HydrophobicContact CE2-CE2 3.87Å; F487-Y733 HydrophobicContact CZ-CD1 4.19Å; F487-Y733 AromaticContact CZ-CD2 3.71Å; F487-Y733 HydrophobicContact CZ-CD2 3.71Å; F487-Y733 HydrophobicContact CZ-CE1 4.03Å; F487-Y733 AromaticContact CZ-CE2 3.52Å; F487-Y733 HydrophobicContact CZ-CE2 3.52Å; F487-Y733 HydrophobicContact CZ-CG 4.04Å; F487-Y733 AromaticContact CZ-CZ 3.69Å; E721-Y733 PolarHBondContact OE1-OH 3.18Å; I731-Y733 VanDerWaalsContact C-N 3.28Å; I731-Y733 HydrophobicContact CB-CD2 4.26Å; I731-Y733 HydrophobicContact CB-CE2 3.77Å; I731-Y733 HydrophobicContact CG2-CD1 4.19Å; I731-Y733 HydrophobicContact CG2-CD2 3.67Å; I731-Y733 HydrophobicContact CG2-CE1 3.84Å; I731-Y733 HydrophobicContact CG2-CE2 3.26Å; I731-Y733 HydrophobicContact CG2-CG 4.12Å; I731-Y733 WeakPolarHBondContact O-CD2 3.14Å; I731-Y733 PolarHBondContact O-N 3.33Å; Y733-R735 VanDerWaalsContact C-N 3.34Å; Y733-R735 PolarHBondContact O-N 3.48Å; Y733-M737 WeakPolarHBondContact O-CB 3.35Å; Y733-M737 PolarHBondContact O-N 3.41Å
734	P	54.1	Low	59.4	Low	65 Å²	65	102.4 Å²	102.4	42%	0.422	50%	0.497	S	S	.	.	H	α-helix	trans	-59.3	-36.1	-174.2	-23.7	32.8	0	0	0	115.1	Q732 M738	Q732-P734 VanDerWaalsContact C-N 3.26Å; Q732-P734 VanDerWaalsContact CA-CD 3.48Å; Q732-P734 WeakPolarHBondContact O-CD 3.45Å; Q732-P734 VanDerWaalsContact O-N 3.16Å; P734-M738 WeakPolarHBondContact O-CB 3.48Å; P734-M738 WeakPolarHBondContact O-CG 3.45Å; P734-M738 PolarHBondContact O-N 3Å
735	R	50.6	Low	58.4	Low	185 Å²	185	102.3 Å²	102.3	70%	0.698	50%	0.5	S	S	*	.	H	α-helix	trans	-82.4	-39.9	-176.2	-73.4	-178.2	179.2	166.9	0	112.5	Y733 R739	Y733-R735 VanDerWaalsContact C-N 3.34Å; Y733-R735 PolarHBondContact O-N 3.48Å; R735-R739 WeakPolarHBondContact O-CB 3.41Å; R735-R739 VanDerWaalsContact O-CG 3.24Å; R735-R739 WeakPolarHBondContact O-CG 3.32Å; R735-R739 PolarHBondContact O-N 3.4Å
736	A	53.9	Low	58.2	Low	65 Å²	65	106.6 Å²	106.6	54%	0.537	52%	0.515	S	S	.	.	H	α-helix	trans	-68.9	-38.6	176.6	0	0	0	0	0	112	R739 S740	A736-R739 PolarHBondContact O-N 2.93Å; A736-S740 PolarHBondContact O-N 3.12Å; A736-S740 PolarHBondContact O-OG 2.84Å
737	M	50.5	Low	57.7	Low	45 Å²	45	100.7 Å²	100.7	22%	0.222	50%	0.501	C	S	.	.	H	α-helix	trans	-68.2	-42.6	178.4	-178.4	-179.7	173.1	0	0	112.8	M490 A660 Y733 R739 S740 L741	M490-M737 HydrophobicContact SD-CE 3.98Å; A660-M737 HydrophobicContact CB-CE 3.31Å; A660-M737 HydrophobicContact CB-SD 3.92Å; Y733-M737 WeakPolarHBondContact O-CB 3.35Å; Y733-M737 PolarHBondContact O-N 3.41Å; M737-R739 VanDerWaalsContact C-N 3.35Å; M737-S740 PolarHBondContact O-N 3.15Å; M737-S740 PolarHBondContact O-OG 2.62Å; M737-S740 VanDerWaalsContact O-OG 3.05Å; M737-L741 HydrophobicContact CE-CD1 4.14Å; M737-L741 HydrophobicContact CG-CD1 4.11Å; M737-L741 WeakPolarHBondContact O-CB 3.39Å; M737-L741 WeakPolarHBondContact O-CG 3.45Å; M737-L741 PolarHBondContact O-N 3.02Å
738	M	53.6	Low	57.1	Low	145 Å²	145	97.9 Å²	97.9	71%	0.714	49%	0.49	S	S	*	.	H	α-helix	trans	-65.6	-39.4	172.8	-81	-115.3	-87.6	0	0	111	P734 Y742	P734-M738 WeakPolarHBondContact O-CB 3.48Å; P734-M738 WeakPolarHBondContact O-CG 3.45Å; P734-M738 PolarHBondContact O-N 3Å; M738-Y742 WeakPolarHBondContact O-CB 3.21Å; M738-Y742 PolarHBondContact O-N 3.12Å
739	R	55.6	Low	57.1	Low	188 Å²	188	100.2 Å²	100.2	71%	0.709	50%	0.5	S	S	*	.	H	α-helix	trans	-63.6	-41.7	174.4	-77.5	176.3	-178.9	173.9	-0.4	112.7	R735 A736 M737 A743	R735-R739 WeakPolarHBondContact O-CB 3.41Å; R735-R739 VanDerWaalsContact O-CG 3.24Å; R735-R739 WeakPolarHBondContact O-CG 3.32Å; R735-R739 PolarHBondContact O-N 3.4Å; A736-R739 PolarHBondContact O-N 2.93Å; M737-R739 VanDerWaalsContact C-N 3.35Å; R739-A743 WeakPolarHBondContact O-CB 3.5Å; R739-A743 PolarHBondContact O-N 3.38Å
740	S	58.7	Low	57.4	Low	32 Å²	32	99.8 Å²	99.8	22%	0.224	49%	0.488	C	S	.	.	H	α-helix	trans	-70.2	-40.5	179.2	68.7	0	0	0	0	112.4	A736 M737 M744	A736-S740 PolarHBondContact O-N 3.12Å; A736-S740 PolarHBondContact O-OG 2.84Å; M737-S740 PolarHBondContact O-N 3.15Å; M737-S740 PolarHBondContact O-OG 2.62Å; M737-S740 VanDerWaalsContact O-OG 3.05Å; S740-M744 WeakPolarHBondContact O-CB 3.35Å; S740-M744 PolarHBondContact O-N 3.14Å
741	L	55.1	Low	57.9	Low	66 Å²	66	98.1 Å²	98.1	35%	0.346	48%	0.478	S	S	.	.	H	α-helix	trans	-66.3	-41.7	174.6	-78.1	164.8	0	0	0	111.4	V658 M737 N745	V658-L741 HydrophobicContact CG1-CD2 4.03Å; V658-L741 HydrophobicContact CG1-CG 4.42Å; V658-L741 HydrophobicContact CG2-CD2 3.98Å; M737-L741 HydrophobicContact CE-CD1 4.14Å; M737-L741 HydrophobicContact CG-CD1 4.11Å; M737-L741 WeakPolarHBondContact O-CB 3.39Å; M737-L741 WeakPolarHBondContact O-CG 3.45Å; M737-L741 PolarHBondContact O-N 3.02Å; L741-N745 WeakPolarHBondContact O-CB 3.47Å; L741-N745 PolarHBondContact O-N 3.26Å
742	Y	60.8	Low	58.2	Low	174 Å²	174	100.8 Å²	100.8	68%	0.682	49%	0.488	S	S	*	.	H	α-helix	trans	-67.7	-41.9	176.3	-169.7	-95.2	0	0	0	112	M738 N745 K746	M738-Y742 WeakPolarHBondContact O-CB 3.21Å; M738-Y742 PolarHBondContact O-N 3.12Å; Y742-N745 PolarHBondContact O-N 3.42Å; Y742-K746 WeakPolarHBondContact O-CB 3.46Å; Y742-K746 PolarHBondContact O-N 2.97Å
743	A	61.2	Low	59	Low	56 Å²	56	98.1 Å²	98.1	46%	0.463	48%	0.478	S	S	.	.	H	α-helix	trans	-66.9	-38.6	176.9	0	0	0	0	0	112.8	R739 K746 S747	R739-A743 WeakPolarHBondContact O-CB 3.5Å; R739-A743 PolarHBondContact O-N 3.38Å; A743-K746 PolarHBondContact O-N 2.8Å; A743-S747 PolarHBondContact O-N 3.28Å; A743-S747 PolarHBondContact O-OG 3.47Å
744	M	59.1	Low	59.7	Low	66 Å²	66	99.9 Å²	99.9	33%	0.325	49%	0.491	S	S	.	.	H	α-helix	trans	-68.2	-38.7	171.9	-82.7	-169.6	-77.4	0	0	112.3	N657 V658 S740 S747 R748	N657-M744 WeakPolarHBondContact O-CE 3.05Å; V658-M744 HydrophobicContact CB-CE 4.32Å; V658-M744 HydrophobicContact CG2-CE 3.46Å; V658-M744 VanDerWaalsContact CG2-CE 3.46Å; V658-M744 HydrophobicContact CG2-SD 4.45Å; S740-M744 WeakPolarHBondContact O-CB 3.35Å; S740-M744 PolarHBondContact O-N 3.14Å; M744-S747 WeakPolarHBondContact CA-OG 3.46Å; M744-S747 PolarHBondContact O-OG 2.83Å; M744-S747 VanDerWaalsContact O-OG 3.07Å; M744-R748 VanDerWaalsContact O-CB 3.3Å; M744-R748 WeakPolarHBondContact O-CB 3.48Å; M744-R748 PolarHBondContact O-N 3.28Å
745	N	58.9	Low	60.4	Low	79 Å²	79	104.5 Å²	104.5	42%	0.422	51%	0.505	S	S	.	.	H	α-helix	trans	-62.9	-43.2	173	-92.8	-3.1	0	0	0	111.8	L741 Y742 R748 M749	L741-N745 WeakPolarHBondContact O-CB 3.47Å; L741-N745 PolarHBondContact O-N 3.26Å; Y742-N745 PolarHBondContact O-N 3.42Å; N745-R748 PolarHBondContact O-N 2.91Å; N745-M749 WeakPolarHBondContact O-CB 3.48Å; N745-M749 WeakPolarHBondContact O-CG 3.26Å; N745-M749 PolarHBondContact O-N 3.35Å
746	K	66.1	Low	61.2	Low	121 Å²	121	101.4 Å²	101.4	53%	0.526	50%	0.498	S	S	.	.	H	α-helix	trans	-61.6	-51.2	178.2	-173.2	176.5	178	-178.4	0	111.5	Y742 A743 R748 M749 E750	Y742-K746 WeakPolarHBondContact O-CB 3.46Å; Y742-K746 PolarHBondContact O-N 2.97Å; A743-K746 PolarHBondContact O-N 2.8Å; K746-R748 VanDerWaalsContact C-N 3.32Å; K746-R748 PolarHBondContact O-N 3.05Å; K746-M749 PolarHBondContact O-N 2.86Å; K746-E750 WeakPolarHBondContact CE-OE1 3.5Å; K746-E750 WeakPolarHBondContact O-CB 3.39Å; K746-E750 VanDerWaalsContact O-CG 3.29Å; K746-E750 WeakPolarHBondContact O-CG 3.2Å; K746-E750 PolarHBondContact O-N 3.45Å
747	S	61.9	Low	62	Low	57 Å²	57	104.7 Å²	104.7	40%	0.399	50%	0.5	S	S	.	.	H	α-helix	trans	-63.7	-32.9	178.6	52.2	0	0	0	0	113.7	A743 M744 T751	A743-S747 PolarHBondContact O-N 3.28Å; A743-S747 PolarHBondContact O-OG 3.47Å; M744-S747 WeakPolarHBondContact CA-OG 3.46Å; M744-S747 PolarHBondContact O-OG 2.83Å; M744-S747 VanDerWaalsContact O-OG 3.07Å; S747-T751 PolarHBondContact O-N 3.28Å; S747-T751 PolarHBondContact O-OG1 3.48Å
748	R	60	Low	62.8	Low	136 Å²	136	105.7 Å²	105.7	51%	0.513	51%	0.506	S	S	.	.	H	α-helix	trans	-76.5	-35.6	177.4	-156.3	178	-163.8	-163	3.4	112.9	F558 M744 N745 K746 T751 K752	F558-R748 PolarHBondContact O-NH1 2.81Å; M744-R748 VanDerWaalsContact O-CB 3.3Å; M744-R748 WeakPolarHBondContact O-CB 3.48Å; M744-R748 PolarHBondContact O-N 3.28Å; N745-R748 PolarHBondContact O-N 2.91Å; K746-R748 VanDerWaalsContact C-N 3.32Å; K746-R748 PolarHBondContact O-N 3.05Å; R748-T751 WeakPolarHBondContact CA-OG1 3.4Å; R748-T751 PolarHBondContact O-OG1 2.75Å; R748-K752 PolarHBondContact O-N 3.22Å; R748-K752 VanDerWaalsContact O-N 3.08Å
749	M	62.5	Low	63.3	Low	124 Å²	124	101.3 Å²	101.3	61%	0.611	49%	0.49	S	S	*	.	H	α-helix	trans	-65.3	-45.2	170.1	-78.5	-174.7	160.4	0	0	110.5	N745 K746 T751 K752 D753	N745-M749 WeakPolarHBondContact O-CB 3.48Å; N745-M749 WeakPolarHBondContact O-CG 3.26Å; N745-M749 PolarHBondContact O-N 3.35Å; K746-M749 PolarHBondContact O-N 2.86Å; M749-T751 PolarHBondContact O-N 3.35Å; M749-K752 PolarHBondContact O-N 2.75Å; M749-D753 WeakPolarHBondContact O-CB 3.33Å; M749-D753 PolarHBondContact O-N 2.87Å
750	E	67.6	Low	63.8	Low	106 Å²	106	97.4 Å²	97.4	50%	0.495	48%	0.483	S	S	.	.	H	α-helix	trans	-60.8	-40.3	176.6	-73.9	168.7	173.8	0	0	112.6	K746 L754	K746-E750 WeakPolarHBondContact CE-OE1 3.5Å; K746-E750 WeakPolarHBondContact O-CB 3.39Å; K746-E750 VanDerWaalsContact O-CG 3.29Å; K746-E750 WeakPolarHBondContact O-CG 3.2Å; K746-E750 PolarHBondContact O-N 3.45Å; E750-L754 VanDerWaalsContact O-CB 3.25Å; E750-L754 WeakPolarHBondContact O-CB 3.49Å; E750-L754 PolarHBondContact O-N 3.27Å
751	T	65.4	Low	63.9	Low	79 Å²	79	103.9 Å²	103.9	49%	0.485	50%	0.502	S	S	.	.	H	α-helix	trans	-72.5	-31.3	176.2	27.9	0	0	0	0	113.6	S747 R748 M749 K755	S747-T751 PolarHBondContact O-N 3.28Å; S747-T751 PolarHBondContact O-OG1 3.48Å; R748-T751 WeakPolarHBondContact CA-OG1 3.4Å; R748-T751 PolarHBondContact O-OG1 2.75Å; M749-T751 PolarHBondContact O-N 3.35Å; T751-K755 WeakPolarHBondContact O-CB 3.19Å; T751-K755 WeakPolarHBondContact O-CG 3.32Å; T751-K755 PolarHBondContact O-N 3.19Å
752	K	61.1	Low	64.1	Low	117 Å²	117	109.3 Å²	109.3	51%	0.509	52%	0.519	S	S	.	.	H	α-helix	trans	-69	-47.6	171.9	-88.5	-170.2	172.5	-172.4	0	111.1	R748 M749 L754 K755 E756	R748-K752 PolarHBondContact O-N 3.22Å; R748-K752 VanDerWaalsContact O-N 3.08Å; M749-K752 PolarHBondContact O-N 2.75Å; K752-L754 VanDerWaalsContact C-N 3.25Å; K752-L754 PolarHBondContact O-N 3.23Å; K752-K755 PolarHBondContact O-N 3.44Å; K752-K755 VanDerWaalsContact O-N 3.11Å; K752-E756 WeakPolarHBondContact O-CB 3.38Å; K752-E756 PolarHBondContact O-N 3.27Å
753	D	67.7	Low	63.9	Low	89 Å²	89	108.4 Å²	108.4	48%	0.476	52%	0.519	S	S	.	.	H	α-helix	trans	-60.2	-37.2	175.9	-77.1	-4.7	0	0	0	111.5	M749 K757	M749-D753 WeakPolarHBondContact O-CB 3.33Å; M749-D753 PolarHBondContact O-N 2.87Å; D753-K757 VanDerWaalsContact O-CB 3.23Å; D753-K757 WeakPolarHBondContact O-CB 3.47Å; D753-K757 VanDerWaalsContact O-CG 3.3Å; D753-K757 WeakPolarHBondContact O-CG 3.49Å; D753-K757 PolarHBondContact O-N 2.98Å
754	L	69.4	Low	63.8	Low	102 Å²	102	108.8 Å²	108.8	53%	0.534	52%	0.522	S	S	.	.	H	α-helix	trans	-69.5	-40.1	175.3	-161.9	76.8	0	0	0	112	E750 K752 N758	E750-L754 VanDerWaalsContact O-CB 3.25Å; E750-L754 WeakPolarHBondContact O-CB 3.49Å; E750-L754 PolarHBondContact O-N 3.27Å; K752-L754 VanDerWaalsContact C-N 3.25Å; K752-L754 PolarHBondContact O-N 3.23Å; L754-N758 WeakPolarHBondContact O-CB 3.25Å; L754-N758 PolarHBondContact O-N 3.4Å; L754-N758 PolarHBondContact O-ND2 3.45Å
755	K	67.8	Low	63.5	Low	163 Å²	163	114.3 Å²	114.3	71%	0.709	54%	0.541	S	S	*	.	H	α-helix	trans	-65.6	-39.7	174.2	-86	-173	176.6	-174.3	0	111.9	T751 K752 N758 S759	T751-K755 WeakPolarHBondContact O-CB 3.19Å; T751-K755 WeakPolarHBondContact O-CG 3.32Å; T751-K755 PolarHBondContact O-N 3.19Å; K752-K755 PolarHBondContact O-N 3.44Å; K752-K755 VanDerWaalsContact O-N 3.11Å; K755-N758 PolarHBondContact O-N 3.01Å; K755-S759 WeakPolarHBondContact O-CB 3.44Å; K755-S759 PolarHBondContact O-N 3.03Å; K755-S759 PolarHBondContact O-OG 2.57Å
756	E	68.9	Low	63.3	Low	119 Å²	119	113.8 Å²	113.8	56%	0.556	55%	0.548	S	S	*	.	H	α-helix	trans	-72	-41.2	178.8	-164.9	169.6	-177.1	0	0	111.4	K752 N758 S759 L760	K752-E756 WeakPolarHBondContact O-CB 3.38Å; K752-E756 PolarHBondContact O-N 3.27Å; E756-N758 VanDerWaalsContact C-N 3.35Å; E756-N758 PolarHBondContact O-N 3.19Å; E756-S759 WeakPolarHBondContact CA-OG 3.3Å; E756-S759 PolarHBondContact O-N 2.75Å; E756-S759 PolarHBondContact O-OG 3.4Å; E756-L760 HydrophobicContact CG-CD1 4.27Å; E756-L760 VanDerWaalsContact O-CB 3.27Å; E756-L760 WeakPolarHBondContact O-CB 3.24Å; E756-L760 WeakPolarHBondContact O-CD1 3.19Å; E756-L760 VanDerWaalsContact O-CG 3.31Å; E756-L760 WeakPolarHBondContact O-CG 3.21Å; E756-L760 PolarHBondContact O-N 3.08Å
757	K	69.5	Low	62.6	Low	135 Å²	135	115 Å²	115	59%	0.587	56%	0.56	S	S	*	*	H	α-helix	trans	-63.8	-38.2	170.1	-79.6	177.8	179.4	174.2	0	112.4	D753 R761	D753-K757 VanDerWaalsContact O-CB 3.23Å; D753-K757 WeakPolarHBondContact O-CB 3.47Å; D753-K757 VanDerWaalsContact O-CG 3.3Å; D753-K757 WeakPolarHBondContact O-CG 3.49Å; D753-K757 PolarHBondContact O-N 2.98Å; K757-R761 WeakPolarHBondContact O-CB 3.35Å; K757-R761 WeakPolarHBondContact O-CG 3.4Å; K757-R761 PolarHBondContact O-N 2.96Å
758	N	68.8	Low	62.2	Low	65 Å²	65	117.1 Å²	117.1	35%	0.348	58%	0.575	S	S	.	*	H	α-helix	trans	-70.8	-42.7	176.4	-75.6	-14.1	0	0	0	111.2	L754 K755 E756 L760 R761 Y762	L754-N758 WeakPolarHBondContact O-CB 3.25Å; L754-N758 PolarHBondContact O-N 3.4Å; L754-N758 PolarHBondContact O-ND2 3.45Å; K755-N758 PolarHBondContact O-N 3.01Å; E756-N758 VanDerWaalsContact C-N 3.35Å; E756-N758 PolarHBondContact O-N 3.19Å; N758-L760 VanDerWaalsContact C-N 3.34Å; N758-L760 PolarHBondContact O-N 3.12Å; N758-R761 PolarHBondContact O-N 2.94Å; N758-Y762 WeakPolarHBondContact O-CD2 3.33Å; N758-Y762 PolarHBondContact O-N 2.69Å
759	S	63.5	Low	61.4	Low	53 Å²	53	114.9 Å²	114.9	37%	0.371	58%	0.58	S	S	.	*	H	α-helix	trans	-62.6	-43	174.6	62.8	0	0	0	0	110.9	K755 E756 R761 Y762 F763	K755-S759 WeakPolarHBondContact O-CB 3.44Å; K755-S759 PolarHBondContact O-N 3.03Å; K755-S759 PolarHBondContact O-OG 2.57Å; E756-S759 WeakPolarHBondContact CA-OG 3.3Å; E756-S759 PolarHBondContact O-N 2.75Å; E756-S759 PolarHBondContact O-OG 3.4Å; S759-R761 VanDerWaalsContact C-N 3.34Å; S759-R761 PolarHBondContact O-N 2.83Å; S759-Y762 PolarHBondContact O-N 3.11Å; S759-F763 WeakPolarHBondContact O-CB 3.36Å; S759-F763 VanDerWaalsContact O-CD2 3.3Å; S759-F763 WeakPolarHBondContact O-CD2 3.4Å; S759-F763 PolarHBondContact O-N 3.05Å
760	L	64.7	Low	60.1	Low	107 Å²	107	120.7 Å²	120.7	56%	0.56	60%	0.595	S	S	*	*	H	α-helix	trans	-63.4	-37	174.1	-77.7	162.2	0	0	0	112.3	E756 N758 F763 A764	E756-L760 HydrophobicContact CG-CD1 4.27Å; E756-L760 VanDerWaalsContact O-CB 3.27Å; E756-L760 WeakPolarHBondContact O-CB 3.24Å; E756-L760 WeakPolarHBondContact O-CD1 3.19Å; E756-L760 VanDerWaalsContact O-CG 3.31Å; E756-L760 WeakPolarHBondContact O-CG 3.21Å; E756-L760 PolarHBondContact O-N 3.08Å; N758-L760 VanDerWaalsContact C-N 3.34Å; N758-L760 PolarHBondContact O-N 3.12Å; L760-F763 PolarHBondContact O-N 3.34Å; L760-A764 WeakPolarHBondContact O-CB 3.23Å; L760-A764 PolarHBondContact O-N 2.85Å
761	R	62.8	Low	58.7	Low	167 Å²	167	123.1 Å²	123.1	63%	0.63	61%	0.61	S	S	*	*	H	α-helix	trans	-66.2	-43.8	172	-83.1	179.3	172.3	-174.7	-3	112	K757 N758 S759 F763 A764 Y765	K757-R761 WeakPolarHBondContact O-CB 3.35Å; K757-R761 WeakPolarHBondContact O-CG 3.4Å; K757-R761 PolarHBondContact O-N 2.96Å; N758-R761 PolarHBondContact O-N 2.94Å; S759-R761 VanDerWaalsContact C-N 3.34Å; S759-R761 PolarHBondContact O-N 2.83Å; R761-F763 VanDerWaalsContact C-N 3.34Å; R761-F763 PolarHBondContact O-N 3.25Å; R761-A764 PolarHBondContact O-N 3.21Å; R761-Y765 WeakPolarHBondContact O-CB 3.19Å; R761-Y765 WeakPolarHBondContact O-CD2 3.47Å; R761-Y765 PolarHBondContact O-N 2.76Å
762	Y	58.4	Low	57.3	Low	180 Å²	180	124.8 Å²	124.8	71%	0.706	62%	0.62	S	S	*	*	H	α-helix	trans	-63.5	-39.6	175.6	-84.3	-74.6	0	0	0	111.6	N758 S759 A766	N758-Y762 WeakPolarHBondContact O-CD2 3.33Å; N758-Y762 PolarHBondContact O-N 2.69Å; S759-Y762 PolarHBondContact O-N 3.11Å; Y762-A766 WeakPolarHBondContact O-CB 3.47Å; Y762-A766 PolarHBondContact O-N 2.97Å
763	F	57	Low	56.3	Low	155 Å²	155	126.6 Å²	126.6	68%	0.68	63%	0.633	S	S	*	*	H	α-helix	trans	-68.1	-36.2	172.6	-90.3	-81.5	0	0	0	112.8	S759 L760 R761 N767	S759-F763 WeakPolarHBondContact O-CB 3.36Å; S759-F763 VanDerWaalsContact O-CD2 3.3Å; S759-F763 WeakPolarHBondContact O-CD2 3.4Å; S759-F763 PolarHBondContact O-N 3.05Å; L760-F763 PolarHBondContact O-N 3.34Å; R761-F763 VanDerWaalsContact C-N 3.34Å; R761-F763 PolarHBondContact O-N 3.25Å; F763-N767 WeakPolarHBondContact O-CB 3.37Å; F763-N767 PolarHBondContact O-N 2.88Å; F763-N767 VanDerWaalsContact O-N 3.13Å
764	A	58.1	Low	54.7	Low	64 Å²	64	131 Å²	131	53%	0.529	65%	0.649	S	S	.	*	H	α-helix	trans	-73.4	-35.3	177.3	0	0	0	0	0	113.1	L760 R761	L760-A764 WeakPolarHBondContact O-CB 3.23Å; L760-A764 PolarHBondContact O-N 2.85Å; R761-A764 PolarHBondContact O-N 3.21Å
765	Y	54	Low	52.9	Low	182 Å²	182	131.6 Å²	131.6	71%	0.714	66%	0.659	S	S	*	*	H	α-helix	trans	-73.2	-35.6	172.9	-90.2	-87.4	0	0	0	112	R761 N767 S768	R761-Y765 WeakPolarHBondContact O-CB 3.19Å; R761-Y765 WeakPolarHBondContact O-CD2 3.47Å; R761-Y765 PolarHBondContact O-N 2.76Å; Y765-N767 VanDerWaalsContact C-N 3.33Å; Y765-N767 PolarHBondContact O-N 2.96Å; Y765-S768 PolarHBondContact O-N 2.98Å
766	A	53.4	Low	51.4	Low	69 Å²	69	131 Å²	131	57%	0.57	66%	0.662	S	S	*	*	H	α-helix	trans	-68.7	-28.6	175.4	0	0	0	0	0	113.1	Y762	Y762-A766 WeakPolarHBondContact O-CB 3.47Å; Y762-A766 PolarHBondContact O-N 2.97Å
767	N	51.1	Low	49.6	Very low	145 Å²	145	130.5 Å²	130.5	78%	0.775	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-6.2	177	-98.2	-12.8	0	0	0	115.1	F763 Y765	F763-N767 WeakPolarHBondContact O-CB 3.37Å; F763-N767 PolarHBondContact O-N 2.88Å; F763-N767 VanDerWaalsContact O-N 3.13Å; Y765-N767 VanDerWaalsContact C-N 3.33Å; Y765-N767 PolarHBondContact O-N 2.96Å
768	S	54.4	Low	47.9	Very low	102 Å²	102	133.4 Å²	133.4	71%	0.713	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	-10.2	178.2	-169.5	0	0	0	0	113.5	Y765	Y765-S768 PolarHBondContact O-N 2.98Å
769	S	44	Very low	46.1	Very low	90 Å²	90	134.5 Å²	134.5	63%	0.629	70%	0.697	S	S	*	*			trans	-112.7	85.3	-178	-52.7	0	0	0	0	110.4	I771	S769-I771 PolarHBondContact O-N 3.24Å
770	R	35.5	Very low	44.7	Very low	246 Å²	246	141.1 Å²	141.1	93%	0.928	72%	0.719	S	S	*	*			trans	-68.6	91.7	166.5	-79.4	-175.8	-178.8	178.9	0.9	109.4
771	I	37.4	Very low	43.3	Very low	156 Å²	156	140.1 Å²	140.1	80%	0.8	73%	0.726	S	S	*	*			trans	-129.4	115.4	157	-64.7	-179.8	0	0	0	108.2	S769	S769-I771 PolarHBondContact O-N 3.24Å
772	V	36.4	Very low	41.9	Very low	115 Å²	115	143.7 Å²	143.7	70%	0.697	74%	0.74	S	S	*	*			trans	-55.9	136.7	170.2	175.3	0	0	0	0	109.8
773	I	39.1	Very low	40.5	Very low	154 Å²	154	144.5 Å²	144.5	79%	0.79	75%	0.747	S	S	*	*			trans	-178.5	113	133.3	-84.1	146.8	0	0	0	109.8
774	F	34	Very low	39.7	Very low	182 Å²	182	141.8 Å²	141.8	80%	0.798	75%	0.747	S	S	*	*			trans	30.1	140.8	147.5	-73.5	-92.2	0	0	0	124.4
775	P	33	Very low	38.7	Very low	115 Å²	115	148.4 Å²	148.4	75%	0.747	79%	0.79	S	S	*	*			trans	-90	143.9	-178.4	37.3	-31.4	0	0	0	112.3
776	I	35	Very low	37.9	Very low	151 Å²	151	146.7 Å²	146.7	77%	0.774	79%	0.793	S	S	*	*			trans	-129.2	112.2	166.4	-61	176.9	0	0	0	109.1	F778	I776-F778 HydrophobicContact CG2-CD2 3.9Å; I776-F778 HydrophobicContact CG2-CE2 4.45Å
777	S	30.8	Very low	37.1	Very low	108 Å²	108	150.8 Å²	150.8	76%	0.755	81%	0.805	S	S	*	*			trans	-69.1	132.5	160.4	169	0	0	0	0	109.6
778	F	34.1	Very low	36.3	Very low	196 Å²	196	151.1 Å²	151.1	86%	0.86	81%	0.807	S	S	*	*			trans	-136.4	104.3	156.8	-112.5	-87.2	0	0	0	110.8	I776	I776-F778 HydrophobicContact CG2-CD2 3.9Å; I776-F778 HydrophobicContact CG2-CE2 4.45Å
779	S	32.1	Very low	35.2	Very low	87 Å²	87	154 Å²	154	61%	0.608	81%	0.812	S	S	*	*			trans	-66.8	163.6	155.5	167.6	0	0	0	0	111.2
780	K	34.6	Very low	34.7	Very low	192 Å²	192	158 Å²	158	84%	0.835	82%	0.824	S	S	*	*			trans	91.7	105.2	170.3	-60.8	178.3	177.4	176.6	0	115.3
781	A	34.4	Very low	34.6	Very low	86 Å²	86	152.1 Å²	152.1	71%	0.711	82%	0.817	S	S	*	*				77.7	124.8	77	0	0	0	0	0	113.4
782	W	32.4	Very low	34.4	Very low	243 Å²	243	151.9 Å²	151.9	92%	0.92	82%	0.818	S	S	*	*			trans	-144.7	106.9	136.7	-106.4	84	0	0	0	108.9
783	K	30.8	Very low	34.3	Very low	197 Å²	197	154.7 Å²	154.7	86%	0.857	83%	0.827	S	S	*	*			trans	-79.9	149.6	160.7	-100.1	177	171.5	179.1	0	107.4
784	S	39	Very low	33.9	Very low	98 Å²	98	154.8 Å²	154.8	69%	0.685	83%	0.83	S	S	*	*			trans	77.4	96.2	178.7	87.2	0	0	0	0	117.9
785	S	36.7	Very low	33.9	Very low	202 Å²	202	152.3 Å²	152.3	100%	1.413	83%	0.833	S	S	*	*				-143.5	0	106.2	-70.6	0	0	0	0	108.5

Retrieved 785 of 785 residues in 4481.6 ms (Link to these results)

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