A0A3Q0KSZ1_SCHMA Loading...

RNA helicase

AlphaFold DB , UniProt , Accession A0A3Q0KSZ1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 622 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	31.9	Very low	30.4	Very low	248 Å²	248	172.8 Å²	172.8	100%	1.222	86%	0.856	S	S	*	*				0	110.1	0	-74.6	168.8	161.5	0	0	107
2	Q	30	Very low	30.3	Very low	191 Å²	191	173.6 Å²	173.6	89%	0.893	86%	0.864	S	S	*	*			trans	-114.6	147	172.7	-85.7	176.6	-25.8	0	0	108.7
3	P	31.9	Very low	30.4	Very low	119 Å²	119	167.7 Å²	167.7	77%	0.773	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-75	148.3	-167.6	30.5	-34.5	0	0	0	111.8
4	R	31.9	Very low	30.4	Very low	243 Å²	243	166.3 Å²	166.3	92%	0.917	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-71.9	128	172.3	-73.2	177.7	170.3	174.8	-5.3	109.1
5	H	30.9	Very low	30.7	Very low	166 Å²	166	165.2 Å²	165.2	77%	0.769	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-60	138.5	168	-94	-111.9	0	0	0	110.5
6	L	28.8	Very low	30.9	Very low	175 Å²	175	159.6 Å²	159.6	92%	0.916	82%	0.822	S	S	*	*			trans	-90.4	93.6	165.6	-77.5	158.5	0	0	0	107	K8	L6-K8 PolarHBondContact O-N 2.9Å
7	D	32.7	Very low	31.4	Very low	128 Å²	128	159.5 Å²	159.5	68%	0.684	82%	0.823	S	S	*	*			trans	-88.6	106.6	171.1	-82.4	-50.4	0	0	0	110.5
8	K	31.6	Very low	31.9	Very low	183 Å²	183	158.3 Å²	158.3	80%	0.796	82%	0.819	S	S	*	*			trans	42.3	94.5	138.2	-58.7	-176.7	179.8	-175.8	0	117.3	L6 D10	L6-K8 PolarHBondContact O-N 2.9Å; K8-D10 PolarHBondContact O-N 2.96Å
9	S	27.3	Very low	32.3	Very low	107 Å²	107	157.6 Å²	157.6	75%	0.748	82%	0.816	S	S	*	*			trans	-63	117	130.4	50.3	0	0	0	0	108.8
10	D	28.6	Very low	33.2	Very low	152 Å²	152	156.9 Å²	156.9	81%	0.813	80%	0.803	S	S	*	*			trans	167.4	68.1	144.4	-81.5	-15.1	0	0	0	109.7	K8	K8-D10 PolarHBondContact O-N 2.96Å
11	E	28.5	Very low	34	Very low	189 Å²	189	154 Å²	154	88%	0.883	79%	0.793	S	S	*	*			trans	-134.2	69	170.3	-75.6	-173.5	176.5	0	0	109.3
12	L	29.7	Very low	35.1	Very low	182 Å²	182	145.5 Å²	145.5	95%	0.953	76%	0.756	S	S	*	*			trans	-143.1	21	175.5	-89.6	178	0	0	0	113.6
13	S	31.8	Very low	36.5	Very low	97 Å²	97	137.8 Å²	137.8	68%	0.678	72%	0.719	S	S	*	*			trans	-102.9	-16	176.6	50.8	0	0	0	0	115	L15	S13-L15 PolarHBondContact O-N 2.89Å
14	D	30.6	Very low	38.4	Very low	148 Å²	148	134 Å²	134	79%	0.791	69%	0.692	S	S	*	*			trans	-99.7	62.9	-162.8	-65.6	14.1	0	0	0	111.9
15	L	33.7	Very low	40.2	Very low	150 Å²	150	123.3 Å²	123.3	79%	0.785	65%	0.654	S	S	*	*			trans	-93.5	92.1	157.1	-68.7	177.7	0	0	0	107.5	S13	S13-L15 PolarHBondContact O-N 2.89Å
16	S	34.9	Very low	42.1	Very low	75 Å²	75	116.5 Å²	116.5	52%	0.524	62%	0.624	S	S	.	*			trans	-68.3	160.4	172.7	64.1	0	0	0	0	111.3	D18	S16-D18 VanDerWaalsContact CB-OD2 3.29Å; S16-D18 WeakPolarHBondContact CB-OD2 3.15Å; S16-D18 PolarHBondContact O-N 3.3Å; S16-D18 PolarHBondContact OG-OD2 3.18Å
17	D	39.1	Very low	44.1	Very low	158 Å²	158	115 Å²	115	85%	0.845	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-65.6	3.9	179.1	-75.1	-44.1	0	0	0	114.3	D19	D17-D19 PolarHBondContact O-N 3.24Å
18	D	40.7	Very low	45.9	Very low	139 Å²	139	113.6 Å²	113.6	74%	0.743	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-76.3	-17.3	-172.8	-60.9	-62.1	0	0	0	114.5	S16 Y20	S16-D18 VanDerWaalsContact CB-OD2 3.29Å; S16-D18 WeakPolarHBondContact CB-OD2 3.15Å; S16-D18 PolarHBondContact O-N 3.3Å; S16-D18 PolarHBondContact OG-OD2 3.18Å; D18-Y20 PolarHBondContact O-N 3.25Å
19	D	39.8	Very low	47.9	Very low	144 Å²	144	108.8 Å²	108.8	77%	0.77	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-77.9	2.8	176.3	-93.1	-12.3	0	0	0	113.4	D17 V21	D17-D19 PolarHBondContact O-N 3.24Å; D19-V21 PolarHBondContact O-N 3.05Å; D19-V21 VanDerWaalsContact O-N 3.08Å
20	Y	49	Very low	49.9	Very low	143 Å²	143	110.2 Å²	110.2	56%	0.561	57%	0.569	S	S	*	*			trans	-71.9	100.5	178.3	-179.4	-105.2	0	0	0	112.6	D18 P22	D18-Y20 PolarHBondContact O-N 3.25Å; Y20-P22 HydrophobicContact CE1-CB 3.96Å; Y20-P22 VanDerWaalsContact O-CD 3.25Å; Y20-P22 WeakPolarHBondContact O-CD 3.11Å
21	V	51	Low	51.7	Low	98 Å²	98	108.6 Å²	108.6	59%	0.594	56%	0.556	S	S	*	*			trans	-92.4	105.2	173.3	-176.2	0	0	0	0	110.4	D19	D19-V21 PolarHBondContact O-N 3.05Å; D19-V21 VanDerWaalsContact O-N 3.08Å
22	P	55.2	Low	53.8	Low	68 Å²	68	103.9 Å²	103.9	44%	0.442	54%	0.535	S	S	.	.			trans	-68.3	145.7	-177.3	27.2	-35.3	0	0	0	112.8	Y20 I24	Y20-P22 HydrophobicContact CE1-CB 3.96Å; Y20-P22 VanDerWaalsContact O-CD 3.25Å; Y20-P22 WeakPolarHBondContact O-CD 3.11Å; P22-I24 PolarHBondContact O-N 3.08Å
23	Y	59.4	Low	55.8	Low	30 Å²	30	100.8 Å²	100.8	12%	0.118	52%	0.515	C	S	.	.			trans	-57.3	122.5	174.9	175	-98.1	0	0	0	112.7	P25 P435 D486	Y23-P25 HydrophobicContact CD1-CG 4.45Å; Y23-P25 HydrophobicContact CE1-CB 4.41Å; Y23-P25 HydrophobicContact CE1-CG 3.76Å; Y23-P435 HydrophobicContact CD2-CG 4.43Å; Y23-P435 HydrophobicContact CE2-CB 4.28Å; Y23-P435 HydrophobicContact CE2-CG 3.9Å; Y23-D486 PolarHBondContact OH-OD2 3.27Å
24	I	71.4	Confident	57.2	Low	38 Å²	38	102.2 Å²	102.2	20%	0.195	52%	0.515	C	S	.	.			trans	-119.2	115.3	174.9	-62.9	147.2	0	0	0	108.6	P22 Q28 R29	P22-I24 PolarHBondContact O-N 3.08Å; I24-Q28 HydrophobicContact CG2-CB 3.65Å; I24-R29 HydrophobicContact CB-CG 4.27Å; I24-R29 HydrophobicContact CG2-CB 4.11Å; I24-R29 HydrophobicContact CG2-CG 3.87Å; I24-R29 VanDerWaalsContact O-CZ 3.32Å; I24-R29 PolarHBondContact O-NE 3.48Å; I24-R29 PolarHBondContact O-NH2 3.1Å
25	P	69.2	Low	58.5	Low	19 Å²	19	98.2 Å²	98.2	12%	0.123	50%	0.496	C	S	.	.			trans	-53.7	144.9	175.9	-23.3	29.2	0	0	0	112.2	Y23 K27 Q28 R29	Y23-P25 HydrophobicContact CD1-CG 4.45Å; Y23-P25 HydrophobicContact CE1-CB 4.41Å; Y23-P25 HydrophobicContact CE1-CG 3.76Å; P25-K27 PolarHBondContact O-N 3.47Å; P25-Q28 HydrophobicContact CG-CG 4.46Å; P25-Q28 CarbonylContact O-C 3.41Å; P25-Q28 WeakPolarHBondContact O-CA 3.3Å; P25-Q28 PolarHBondContact O-N 3.49Å; P25-R29 PolarHBondContact O-N 2.78Å
26	V	70.7	Confident	59.7	Low	23 Å²	23	94 Å²	94	14%	0.139	48%	0.479	C	S	.	.	H	α-helix	trans	-47.8	-38.8	178.8	158.7	0	0	0	0	113.4	Q28 R29 K30 D486	V26-Q28 PolarHBondContact O-N 2.98Å; V26-R29 PolarHBondContact O-N 2.99Å; V26-K30 HydrophobicContact CG1-CD 4.18Å; V26-K30 WeakPolarHBondContact O-CG 3.48Å; V26-K30 PolarHBondContact O-N 3.17Å; V26-D486 WeakPolarHBondContact CG2-OD1 3.26Å; V26-D486 WeakPolarHBondContact CG2-OD2 3.38Å; V26-D486 PolarHBondContact N-OD2 3.44Å
27	K	71.4	Confident	60.9	Low	145 Å²	145	96.4 Å²	96.4	63%	0.63	49%	0.485	S	S	*	.	H	α-helix	trans	-61.5	-40.6	177	-172.4	176.2	-178.1	177.9	0	112.9	P25 Q31	P25-K27 PolarHBondContact O-N 3.47Å; K27-Q31 WeakPolarHBondContact O-CG 3.35Å; K27-Q31 PolarHBondContact O-N 3.19Å
28	Q	71	Confident	61.5	Low	98 Å²	98	95.3 Å²	95.3	46%	0.458	48%	0.475	S	S	.	.	H	α-helix	trans	-77.1	-36.4	175.8	-67.2	-176.3	7.4	0	0	111.5	I24 P25 V26 K30 Q31 Q32	I24-Q28 HydrophobicContact CG2-CB 3.65Å; P25-Q28 HydrophobicContact CG-CG 4.46Å; P25-Q28 CarbonylContact O-C 3.41Å; P25-Q28 WeakPolarHBondContact O-CA 3.3Å; P25-Q28 PolarHBondContact O-N 3.49Å; V26-Q28 PolarHBondContact O-N 2.98Å; Q28-K30 PolarHBondContact O-N 2.75Å; Q28-Q31 CarbonylContact O-C 3.54Å; Q28-Q31 WeakPolarHBondContact O-CB 3.41Å; Q28-Q31 PolarHBondContact O-N 2.71Å; Q28-Q31 VanDerWaalsContact O-N 3.12Å; Q28-Q32 WeakPolarHBondContact O-CB 3.24Å; Q28-Q32 WeakPolarHBondContact O-CG 3.3Å; Q28-Q32 PolarHBondContact O-N 3.16Å
29	R	72.7	Confident	61.9	Low	81 Å²	81	97 Å²	97	31%	0.306	47%	0.47	S	S	.	.	H	α-helix	trans	-58.7	-46.7	174.3	-117	178	-64.9	147.5	9.4	111.2	I24 P25 V26 Q31 Q32 E33 D486	I24-R29 HydrophobicContact CB-CG 4.27Å; I24-R29 HydrophobicContact CG2-CB 4.11Å; I24-R29 HydrophobicContact CG2-CG 3.87Å; I24-R29 VanDerWaalsContact O-CZ 3.32Å; I24-R29 PolarHBondContact O-NE 3.48Å; I24-R29 PolarHBondContact O-NH2 3.1Å; P25-R29 PolarHBondContact O-N 2.78Å; V26-R29 PolarHBondContact O-N 2.99Å; R29-Q31 VanDerWaalsContact C-N 3.32Å; R29-Q31 PolarHBondContact O-N 2.92Å; R29-Q32 CarbonylContact O-C 3.29Å; R29-Q32 PolarHBondContact O-N 2.96Å; R29-Q32 VanDerWaalsContact O-N 3.1Å; R29-E33 WeakPolarHBondContact O-CG 3.28Å; R29-E33 PolarHBondContact O-N 3.33Å; R29-D486 IonicContact NH2-OD1 3.48Å; R29-D486 PolarHBondContact NH2-OD1 3.1Å; R29-D486 IonicContact NH2-OD2 3.54Å
30	K	69.9	Low	62.6	Low	138 Å²	138	96.4 Å²	96.4	60%	0.6	47%	0.472	S	S	*	.	H	α-helix	trans	-61.1	-36.1	173.5	-73.1	177.6	177.6	177.3	0	113.3	V26 Q28 L34	V26-K30 HydrophobicContact CG1-CD 4.18Å; V26-K30 WeakPolarHBondContact O-CG 3.48Å; V26-K30 PolarHBondContact O-N 3.17Å; Q28-K30 PolarHBondContact O-N 2.75Å; K30-L34 PolarHBondContact O-N 3.02Å
31	Q	64.9	Low	62.4	Low	117 Å²	117	96.9 Å²	96.9	55%	0.547	48%	0.483	S	S	.	.	H	α-helix	trans	-69.7	-39.2	172.8	-74.6	179	-31.8	0	0	111.8	K27 Q28 R29 L34 T35	K27-Q31 WeakPolarHBondContact O-CG 3.35Å; K27-Q31 PolarHBondContact O-N 3.19Å; Q28-Q31 CarbonylContact O-C 3.54Å; Q28-Q31 WeakPolarHBondContact O-CB 3.41Å; Q28-Q31 PolarHBondContact O-N 2.71Å; Q28-Q31 VanDerWaalsContact O-N 3.12Å; R29-Q31 VanDerWaalsContact C-N 3.32Å; R29-Q31 PolarHBondContact O-N 2.92Å; Q31-L34 PolarHBondContact O-N 3.22Å; Q31-T35 WeakPolarHBondContact O-CB 3.4Å; Q31-T35 PolarHBondContact O-N 3.15Å; Q31-T35 PolarHBondContact O-OG1 2.85Å
32	Q	73.4	Confident	61.9	Low	91 Å²	91	94.5 Å²	94.5	43%	0.425	48%	0.479	S	S	.	.	H	α-helix	trans	-68.5	-37.8	176.8	-73.9	176.1	-2.9	0	0	112.4	Q28 R29 T35 S36	Q28-Q32 WeakPolarHBondContact O-CB 3.24Å; Q28-Q32 WeakPolarHBondContact O-CG 3.3Å; Q28-Q32 PolarHBondContact O-N 3.16Å; R29-Q32 CarbonylContact O-C 3.29Å; R29-Q32 PolarHBondContact O-N 2.96Å; R29-Q32 VanDerWaalsContact O-N 3.1Å; Q32-T35 CarbonylContact O-C 3.46Å; Q32-T35 PolarHBondContact O-N 2.86Å; Q32-S36 VanDerWaalsContact O-CB 3.26Å; Q32-S36 WeakPolarHBondContact O-CB 3.16Å; Q32-S36 PolarHBondContact O-N 2.86Å; Q32-S36 PolarHBondContact O-OG 2.8Å
33	E	71.7	Confident	60.8	Low	117 Å²	117	97.5 Å²	97.5	55%	0.547	49%	0.491	S	S	.	.	H	α-helix	trans	-60.9	-44.6	171.5	-74.8	172.3	168.7	0	0	111.5	R29 T35 S36 L37	R29-E33 WeakPolarHBondContact O-CG 3.28Å; R29-E33 PolarHBondContact O-N 3.33Å; E33-T35 VanDerWaalsContact C-N 3.33Å; E33-T35 PolarHBondContact O-N 3.5Å; E33-S36 PolarHBondContact O-N 2.81Å; E33-S36 PolarHBondContact O-OG 3.36Å; E33-L37 PolarHBondContact O-N 3.06Å; E33-L37 VanDerWaalsContact O-N 3.13Å
34	L	62	Low	59.3	Low	127 Å²	127	104.6 Å²	104.6	67%	0.665	53%	0.53	S	S	*	.	H	α-helix	trans	-61.8	-42.9	173.5	-163.8	80.6	0	0	0	111.4	K30 Q31 Q38	K30-L34 PolarHBondContact O-N 3.02Å; Q31-L34 PolarHBondContact O-N 3.22Å; L34-Q38 PolarHBondContact O-N 3.3Å
35	T	57.1	Low	57.3	Low	64 Å²	64	106.4 Å²	106.4	39%	0.393	55%	0.551	S	S	.	*	H	α-helix	trans	-73.6	-30.6	-178.6	-51.4	0	0	0	0	112.5	Q31 Q32 E33 Q38 R39	Q31-T35 WeakPolarHBondContact O-CB 3.4Å; Q31-T35 PolarHBondContact O-N 3.15Å; Q31-T35 PolarHBondContact O-OG1 2.85Å; Q32-T35 CarbonylContact O-C 3.46Å; Q32-T35 PolarHBondContact O-N 2.86Å; E33-T35 VanDerWaalsContact C-N 3.33Å; E33-T35 PolarHBondContact O-N 3.5Å; T35-Q38 CarbonylContact O-C 3.56Å; T35-Q38 WeakPolarHBondContact O-CB 3.29Å; T35-Q38 PolarHBondContact O-N 2.8Å; T35-R39 PolarHBondContact O-N 2.71Å
36	S	59.7	Low	55.3	Low	61 Å²	61	115.4 Å²	115.4	43%	0.427	58%	0.584	S	S	.	*	H	α-helix	trans	-74.1	-41.2	178.1	68.2	0	0	0	0	110.6	Q32 E33 Q38 R39 V40	Q32-S36 VanDerWaalsContact O-CB 3.26Å; Q32-S36 WeakPolarHBondContact O-CB 3.16Å; Q32-S36 PolarHBondContact O-N 2.86Å; Q32-S36 PolarHBondContact O-OG 2.8Å; E33-S36 PolarHBondContact O-N 2.81Å; E33-S36 PolarHBondContact O-OG 3.36Å; S36-Q38 PolarHBondContact O-N 3.29Å; S36-R39 PolarHBondContact O-N 2.86Å; S36-R39 VanDerWaalsContact O-N 3.1Å; S36-V40 WeakPolarHBondContact O-CG2 3.33Å; S36-V40 PolarHBondContact O-N 3.47Å
37	L	60	Low	53.2	Low	125 Å²	125	119.3 Å²	119.3	65%	0.654	61%	0.608	S	S	*	*	H	α-helix	trans	-53.6	-40.4	166.5	-117.7	130.6	0	0	0	111.5	E33	E33-L37 PolarHBondContact O-N 3.06Å; E33-L37 VanDerWaalsContact O-N 3.13Å
38	Q	51.8	Low	51	Low	135 Å²	135	120.9 Å²	120.9	63%	0.631	62%	0.617	S	S	*	*	H	α-helix	trans	-73.6	-31.5	177.6	-155	173.1	13.5	0	0	113.4	L34 T35 S36 G42	L34-Q38 PolarHBondContact O-N 3.3Å; T35-Q38 CarbonylContact O-C 3.56Å; T35-Q38 WeakPolarHBondContact O-CB 3.29Å; T35-Q38 PolarHBondContact O-N 2.8Å; S36-Q38 PolarHBondContact O-N 3.29Å; Q38-G42 PolarHBondContact O-N 2.8Å
39	R	48.2	Very low	48.9	Very low	174 Å²	174	121.6 Å²	121.6	66%	0.657	63%	0.629	S	S	*	*	H	α-helix	trans	-75.8	-37	175.2	-84.8	-177.2	172.1	177.9	-2.5	113.6	T35 S36 L41 G42 N43	T35-R39 PolarHBondContact O-N 2.71Å; S36-R39 PolarHBondContact O-N 2.86Å; S36-R39 VanDerWaalsContact O-N 3.1Å; R39-L41 PolarHBondContact O-N 2.97Å; R39-G42 PolarHBondContact O-N 2.67Å; R39-N43 PolarHBondContact O-N 3.18Å
40	V	54.9	Low	46.8	Very low	132 Å²	132	123.3 Å²	123.3	80%	0.8	65%	0.65	S	S	*	*	H	α-helix	trans	-59.9	-29.9	174	169.7	0	0	0	0	111.1	S36	S36-V40 WeakPolarHBondContact O-CG2 3.33Å; S36-V40 PolarHBondContact O-N 3.47Å
41	L	45.9	Very low	44.6	Very low	153 Å²	153	124.6 Å²	124.6	80%	0.801	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	-17.6	172.3	-71.5	165.3	0	0	0	114.4	R39	R39-L41 PolarHBondContact O-N 2.97Å
42	G	40.1	Very low	42.7	Very low	49 Å²	49	127.7 Å²	127.7	51%	0.505	67%	0.672	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.9	-39.7	-165.4	0	0	0	0	0	116.2	Q38 R39 L44	Q38-G42 PolarHBondContact O-N 2.8Å; R39-G42 PolarHBondContact O-N 2.67Å; G42-L44 PolarHBondContact O-N 2.82Å
43	N	31.4	Very low	40.4	Very low	131 Å²	131	131 Å²	131	70%	0.701	69%	0.688	S	S	*	*			trans	-106.6	62.7	-159.6	-73.8	23.4	0	0	0	113.9	R39 A45	R39-N43 PolarHBondContact O-N 3.18Å; N43-A45 PolarHBondContact O-N 3.34Å; N43-A45 VanDerWaalsContact O-N 3.11Å
44	L	28.5	Very low	38.1	Very low	178 Å²	178	131.7 Å²	131.7	93%	0.932	70%	0.695	S	S	*	*			trans	-79.2	32.9	171.6	-126.7	163	0	0	0	112.3	G42	G42-L44 PolarHBondContact O-N 2.82Å
45	A	29.5	Very low	36.4	Very low	76 Å²	76	131.8 Å²	131.8	63%	0.628	70%	0.696	S	S	*	*			trans	-142.5	109.5	-167	0	0	0	0	0	114.5	N43	N43-A45 PolarHBondContact O-N 3.34Å; N43-A45 VanDerWaalsContact O-N 3.11Å
46	Y	26.4	Very low	34.7	Very low	209 Å²	209	136.9 Å²	136.9	82%	0.82	72%	0.715	S	S	*	*			trans	46.5	106.4	133.8	-70.6	-79.9	0	0	0	119.1
47	T	26	Very low	33	Very low	105 Å²	105	137.1 Å²	137.1	64%	0.644	73%	0.727	S	S	*	*				67.8	137.9	94.1	61.5	0	0	0	0	113.4
48	E	25.4	Very low	31.3	Very low	177 Å²	177	138.4 Å²	138.4	83%	0.827	74%	0.735	S	S	*	*			cis	-171.2	180	39.1	-137.6	148.1	-130.7	0	0	110.8
49	V	27.2	Very low	30.1	Very low	114 Å²	114	138.6 Å²	138.6	69%	0.691	75%	0.746	S	S	*	*			trans	-104.1	152.4	-171.5	-178	0	0	0	0	111.9	E51	V49-E51 HydrophobicContact CG1-CG 4.25Å
50	P	29	Very low	28.9	Very low	116 Å²	116	134.4 Å²	134.4	75%	0.753	75%	0.748	S	S	*	*				-136	141.2	123	8.9	14.3	0	0	0	112.1
51	E	23.2	Very low	27.5	Very low	166 Å²	166	136.2 Å²	136.2	78%	0.776	75%	0.748	S	S	*	*			cis	57.8	105.5	44.8	-70.8	-178.6	172.8	0	0	111.5	V49	V49-E51 HydrophobicContact CG1-CG 4.25Å
52	E	26.1	Very low	26.4	Very low	181 Å²	181	136.7 Å²	136.7	85%	0.846	75%	0.746	S	S	*	*				174	170.4	78.6	-90.9	170.1	145.8	0	0	106.8
53	E	24.7	Very low	25.6	Very low	161 Å²	161	140.8 Å²	140.8	75%	0.752	76%	0.761	S	S	*	*			cis	-149.5	177.7	5.2	-139.9	-166.1	148.2	0	0	113
54	L	23.9	Very low	25.1	Very low	132 Å²	132	143.2 Å²	143.2	69%	0.691	77%	0.768	S	S	*	*			trans	-58	161.8	173	-59.5	159.2	0	0	0	117.9
55	D	24.8	Very low	25	Very low	128 Å²	128	142.1 Å²	142.1	68%	0.684	76%	0.763	S	S	*	*				165.4	110.6	103.7	-138.4	38.1	0	0	0	112
56	Q	23.2	Very low	24.7	Very low	171 Å²	171	145.5 Å²	145.5	80%	0.799	77%	0.77	S	S	*	*				72.8	140.1	95	-68.9	-170	68.8	0	0	119.6
57	G	23.8	Very low	24.8	Very low	66 Å²	66	141.3 Å²	141.3	68%	0.68	77%	0.772	S	S	*	*			trans	117.1	84.9	161.5	0	0	0	0	0	115
58	N	24.4	Very low	24.6	Very low	153 Å²	153	145.9 Å²	145.9	82%	0.818	79%	0.786	S	S	*	*				45.5	134.9	85	-67.3	-21.6	0	0	0	114.1
59	T	25.1	Very low	24.5	Very low	139 Å²	139	140.7 Å²	140.7	85%	0.853	78%	0.78	S	S	*	*			cis	-160.2	157.7	44.4	-39	0	0	0	0	111.3
60	A	23.3	Very low	24.4	Very low	86 Å²	86	142.2 Å²	142.2	71%	0.711	79%	0.79	S	S	*	*			trans	-105.7	162.4	175.9	0	0	0	0	0	112.5
61	E	25.9	Very low	24	Very low	170 Å²	170	142 Å²	142	79%	0.794	79%	0.786	S	S	*	*			trans	-162.2	126.2	153.6	-115.5	164.1	-162	0	0	113.4
62	Q	23	Very low	24	Very low	163 Å²	163	142.9 Å²	142.9	76%	0.762	79%	0.787	S	S	*	*			trans	48.8	124.8	137	-62.7	169.4	13.1	0	0	120.4
63	V	22.4	Very low	23.7	Very low	134 Å²	134	143.6 Å²	143.6	81%	0.812	79%	0.788	S	S	*	*			cis	89.4	145.8	33	-171.1	0	0	0	0	114
64	E	22.3	Very low	23.6	Very low	182 Å²	182	140.6 Å²	140.6	85%	0.85	79%	0.785	S	S	*	*			trans	81.8	136.5	-178.6	-46.4	-169.3	166.1	0	0	114.3
65	D	26.1	Very low	23.5	Very low	155 Å²	155	139.1 Å²	139.1	83%	0.829	79%	0.785	S	S	*	*			cis	-156	170.2	44.6	-156.9	-6.4	0	0	0	114
66	D	22.7	Very low	23.7	Very low	147 Å²	147	139.9 Å²	139.9	79%	0.786	79%	0.789	S	S	*	*			trans	-89	169.2	-171.2	-79.9	-52.6	0	0	0	115.8
67	S	28.3	Very low	23.9	Very low	122 Å²	122	139.2 Å²	139.2	85%	0.853	79%	0.791	S	S	*	*				-175.6	142.7	128.8	31.8	0	0	0	0	117.2
68	E	22.5	Very low	24.1	Very low	200 Å²	200	144.5 Å²	144.5	94%	0.935	80%	0.795	S	S	*	*			trans	-70.8	173.1	174.8	-45.6	173.6	136.1	0	0	112.6
69	G	22.8	Very low	24.4	Very low	69 Å²	69	146.2 Å²	146.2	71%	0.711	80%	0.798	S	S	*	*			cis	159.6	-158.1	3.5	0	0	0	0	0	112.1
70	V	26	Very low	24.9	Very low	146 Å²	146	147.7 Å²	147.7	89%	0.885	80%	0.795	S	S	*	*			trans	92.8	108.3	162.1	-167.1	0	0	0	0	121.2
71	T	20.2	Very low	25.2	Very low	110 Å²	110	146.1 Å²	146.1	68%	0.675	79%	0.787	S	S	*	*			trans	-61.3	159.9	165.8	55.2	0	0	0	0	119
72	K	23	Very low	26.2	Very low	186 Å²	186	144.6 Å²	144.6	81%	0.809	79%	0.792	S	S	*	*				169	136.3	113.8	-95.4	163.6	-173.8	169.1	0	116.3
73	K	20.3	Very low	27.1	Very low	195 Å²	195	143.6 Å²	143.6	85%	0.848	79%	0.792	S	S	*	*				35.4	149.5	124.4	-66.7	-173.8	177.3	-172.7	0	120.6
74	S	22.4	Very low	28.2	Very low	99 Å²	99	140.9 Å²	140.9	69%	0.692	78%	0.784	S	S	*	*			cis	-175	156.2	1.4	42	0	0	0	0	112.5
75	S	22	Very low	29.4	Very low	100 Å²	100	140 Å²	140	70%	0.699	78%	0.78	S	S	*	*			trans	35.9	128.1	147.9	62	0	0	0	0	123.1
76	D	27.7	Very low	31	Very low	145 Å²	145	134.2 Å²	134.2	78%	0.775	76%	0.756	S	S	*	*				-171.2	132.8	118.4	-110.8	5.8	0	0	0	113.5
77	D	27	Very low	33.3	Very low	156 Å²	156	130.1 Å²	130.1	83%	0.834	74%	0.739	S	S	*	*			trans	-92.2	129.2	173.8	-87.2	-57.3	0	0	0	111.9
78	K	29.7	Very low	35.3	Very low	177 Å²	177	131.3 Å²	131.3	77%	0.77	74%	0.735	S	S	*	*			trans	-140.4	121.7	163.1	-72.7	-171.7	-179.3	165.4	0	113.1
79	H	29.1	Very low	37.3	Very low	190 Å²	190	129.5 Å²	129.5	88%	0.88	72%	0.724	S	S	*	*			trans	-66.7	137.3	174	-70.5	18.7	0	0	0	112
80	H	36.7	Very low	39.8	Very low	169 Å²	169	130.7 Å²	130.7	78%	0.782	71%	0.714	S	S	*	*			trans	-106.4	127.3	169.8	-95.9	-94.8	0	0	0	111.7
81	G	29	Very low	42.2	Very low	53 Å²	53	130.7 Å²	130.7	55%	0.546	70%	0.699	S	S	.	*			trans	-78.1	164.1	175	0	0	0	0	0	113.7	N83	G81-N83 PolarHBondContact O-N 2.92Å
82	P	48.1	Very low	44.9	Very low	139 Å²	139	131.9 Å²	131.9	90%	0.903	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	30.2	-158.4	34	-39.1	0	0	0	115.9
83	N	41.8	Very low	47.5	Very low	142 Å²	142	131.5 Å²	131.5	76%	0.759	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.2	20.5	-178.6	-108	-18.2	0	0	0	114.8	G81 Q85	G81-N83 PolarHBondContact O-N 2.92Å; N83-Q85 VanDerWaalsContact C-N 3.34Å; N83-Q85 PolarHBondContact O-N 3.48Å
84	A	45.1	Very low	50.2	Low	77 Å²	77	126.5 Å²	126.5	64%	0.636	67%	0.671	S	S	*	*			trans	-70.8	90.4	166.3	0	0	0	0	0	110	G86	A84-G86 PolarHBondContact O-N 3.5Å
85	Q	47	Very low	53	Low	164 Å²	164	127.4 Å²	127.4	77%	0.766	67%	0.668	S	S	*	*			trans	-71.6	79.3	172.6	-66.1	-179.6	-4.9	0	0	109.9	N83	N83-Q85 VanDerWaalsContact C-N 3.34Å; N83-Q85 PolarHBondContact O-N 3.48Å
86	G	59.7	Low	55.8	Low	33 Å²	33	128.1 Å²	128.1	34%	0.34	66%	0.658	S	S	.	*			trans	-57.4	153	169.5	0	0	0	0	0	111.6	A84 D90	A84-G86 PolarHBondContact O-N 3.5Å; G86-D90 WeakPolarHBondContact CA-OD2 3.28Å
87	S	70.9	Confident	58	Low	60 Å²	60	126.8 Å²	126.8	42%	0.42	64%	0.642	S	S	.	*			trans	-52	157.9	175	-179.5	0	0	0	0	111.5	F89 D90 R91	S87-F89 PolarHBondContact O-N 2.89Å; S87-F89 PolarHBondContact OG-N 2.86Å; S87-D90 VanDerWaalsContact CB-OD2 3.28Å; S87-D90 WeakPolarHBondContact CB-OD2 3.23Å; S87-D90 PolarHBondContact N-OD2 2.82Å; S87-D90 PolarHBondContact O-N 2.64Å; S87-R91 PolarHBondContact O-N 2.85Å
88	L	71.4	Confident	60.4	Low	147 Å²	147	123.2 Å²	123.2	77%	0.77	62%	0.62	S	S	*	*	H	α-helix	trans	-53.5	-34.1	168.2	-82.4	168.3	0	0	0	111.3	M92	L88-M92 VanDerWaalsContact O-CB 3.3Å; L88-M92 WeakPolarHBondContact O-CB 3.39Å; L88-M92 PolarHBondContact O-N 2.9Å
89	F	63.7	Low	62.4	Low	162 Å²	162	117.1 Å²	117.1	71%	0.711	60%	0.602	S	S	*	*	H	α-helix	trans	-65.8	-43.9	172.2	-81.7	-83.3	0	0	0	112.8	S87 R91 M92 W93	S87-F89 PolarHBondContact O-N 2.89Å; S87-F89 PolarHBondContact OG-N 2.86Å; F89-R91 PolarHBondContact O-N 3.1Å; F89-M92 PolarHBondContact O-N 2.78Å; F89-W93 WeakPolarHBondContact O-CB 3.42Å; F89-W93 PolarHBondContact O-N 3.34Å
90	D	76.3	Confident	64.4	Low	94 Å²	94	112.4 Å²	112.4	50%	0.503	58%	0.581	S	S	.	*	H	α-helix	trans	-63.4	-44.3	179.4	-54.9	-31.1	0	0	0	110.7	G86 S87 M92 W93 E94	G86-D90 WeakPolarHBondContact CA-OD2 3.28Å; S87-D90 VanDerWaalsContact CB-OD2 3.28Å; S87-D90 WeakPolarHBondContact CB-OD2 3.23Å; S87-D90 PolarHBondContact N-OD2 2.82Å; S87-D90 PolarHBondContact O-N 2.64Å; D90-M92 VanDerWaalsContact C-N 3.34Å; D90-M92 PolarHBondContact O-N 3.1Å; D90-W93 PolarHBondContact O-N 2.77Å; D90-E94 VanDerWaalsContact O-CB 3.26Å; D90-E94 WeakPolarHBondContact O-CB 3.26Å; D90-E94 PolarHBondContact O-N 2.77Å
91	R	74.6	Confident	66	Low	147 Å²	147	110.1 Å²	110.1	56%	0.555	57%	0.57	S	S	*	*	H	α-helix	trans	-61.6	-41.1	173.5	-75.7	-175.5	173.5	-179.7	-0.8	112.3	S87 F89 L95	S87-R91 PolarHBondContact O-N 2.85Å; F89-R91 PolarHBondContact O-N 3.1Å; R91-L95 VanDerWaalsContact O-CB 3.23Å; R91-L95 WeakPolarHBondContact O-CB 3.31Å; R91-L95 VanDerWaalsContact O-CG 3.24Å; R91-L95 WeakPolarHBondContact O-CG 3.44Å; R91-L95 PolarHBondContact O-N 3.23Å
92	M	78.6	Confident	67.7	Low	134 Å²	134	117.5 Å²	117.5	66%	0.66	58%	0.582	S	S	*	*	H	α-helix	trans	-66.3	-39.3	177.2	-174.1	176.9	-179.8	0	0	111.4	L88 F89 D90 K96	L88-M92 VanDerWaalsContact O-CB 3.3Å; L88-M92 WeakPolarHBondContact O-CB 3.39Å; L88-M92 PolarHBondContact O-N 2.9Å; F89-M92 PolarHBondContact O-N 2.78Å; D90-M92 VanDerWaalsContact C-N 3.34Å; D90-M92 PolarHBondContact O-N 3.1Å; M92-K96 VanDerWaalsContact O-CB 3.23Å; M92-K96 WeakPolarHBondContact O-CB 3.42Å; M92-K96 PolarHBondContact O-N 3.29Å
93	W	76.6	Confident	68.2	Low	179 Å²	179	117.5 Å²	117.5	68%	0.678	57%	0.567	S	S	*	*	H	α-helix	trans	-70.8	-40.3	177.5	-146.8	94.8	0	0	0	111.5	F89 D90 K96 R97	F89-W93 WeakPolarHBondContact O-CB 3.42Å; F89-W93 PolarHBondContact O-N 3.34Å; D90-W93 PolarHBondContact O-N 2.77Å; W93-K96 PolarHBondContact O-N 2.95Å; W93-R97 HydrophobicContact CE3-CB 4.42Å; W93-R97 HydrophobicContact CZ3-CB 4.47Å; W93-R97 HydrophobicContact CZ3-CG 4.31Å; W93-R97 WeakPolarHBondContact O-CB 3.39Å; W93-R97 PolarHBondContact O-N 3.35Å
94	E	77.8	Confident	69.2	Low	90 Å²	90	114.9 Å²	114.9	42%	0.421	55%	0.55	S	S	.	*	H	α-helix	trans	-70.1	-37.5	176.5	-159	-161.9	-169.2	0	0	112	D90 R97 K98	D90-E94 VanDerWaalsContact O-CB 3.26Å; D90-E94 WeakPolarHBondContact O-CB 3.26Å; D90-E94 PolarHBondContact O-N 2.77Å; E94-R97 PolarHBondContact O-N 2.7Å; E94-K98 HydrophobicContact CG-CD 4.46Å; E94-K98 WeakPolarHBondContact O-CB 3.43Å; E94-K98 VanDerWaalsContact O-CG 3.29Å; E94-K98 WeakPolarHBondContact O-CG 3.22Å; E94-K98 PolarHBondContact O-N 3.41Å; E94-K98 IonicContact OE1-NZ 2.78Å; E94-K98 PolarHBondContact OE1-NZ 3.37Å; E94-K98 IonicContact OE2-NZ 3.1Å; E94-K98 PolarHBondContact OE2-NZ 2.82Å; E94-K98 VanDerWaalsContact OE2-NZ 3.1Å
95	L	79.9	Confident	70.5	Confident	118 Å²	118	114.6 Å²	114.6	62%	0.618	54%	0.541	S	S	*	.	H	α-helix	trans	-65.2	-40.5	169.3	-78.6	168	0	0	0	111.7	R91 K98 A99	R91-L95 VanDerWaalsContact O-CB 3.23Å; R91-L95 WeakPolarHBondContact O-CB 3.31Å; R91-L95 VanDerWaalsContact O-CG 3.24Å; R91-L95 WeakPolarHBondContact O-CG 3.44Å; R91-L95 PolarHBondContact O-N 3.23Å; L95-K98 PolarHBondContact O-N 3.28Å; L95-A99 WeakPolarHBondContact O-CB 3.48Å; L95-A99 PolarHBondContact O-N 3.09Å
96	K	80.5	Confident	71.8	Confident	115 Å²	115	114 Å²	114	50%	0.5	54%	0.538	S	S	.	.	H	α-helix	trans	-64.1	-43.9	174.7	-176.2	-178	170.4	-172.4	0	110.9	M92 W93 A99 E100	M92-K96 VanDerWaalsContact O-CB 3.23Å; M92-K96 WeakPolarHBondContact O-CB 3.42Å; M92-K96 PolarHBondContact O-N 3.29Å; W93-K96 PolarHBondContact O-N 2.95Å; K96-A99 CarbonylContact O-C 3.53Å; K96-A99 WeakPolarHBondContact O-CA 3.26Å; K96-A99 WeakPolarHBondContact O-CB 3.48Å; K96-A99 PolarHBondContact O-N 3.05Å; K96-A99 VanDerWaalsContact O-N 3.16Å; K96-E100 WeakPolarHBondContact CE-OE1 3.27Å; K96-E100 IonicContact NZ-OE1 3.88Å; K96-E100 WeakPolarHBondContact O-CB 3.5Å; K96-E100 WeakPolarHBondContact O-CG 3.41Å; K96-E100 PolarHBondContact O-N 3.05Å
97	R	75	Confident	72.3	Confident	117 Å²	117	118.5 Å²	118.5	44%	0.442	55%	0.545	S	S	.	.	H	α-helix	trans	-62.8	-46.8	175.9	-154.6	-165.2	83.4	-169.5	5.8	111.2	W93 E94 A99 E100 E101	W93-R97 HydrophobicContact CE3-CB 4.42Å; W93-R97 HydrophobicContact CZ3-CB 4.47Å; W93-R97 HydrophobicContact CZ3-CG 4.31Å; W93-R97 WeakPolarHBondContact O-CB 3.39Å; W93-R97 PolarHBondContact O-N 3.35Å; E94-R97 PolarHBondContact O-N 2.7Å; R97-A99 VanDerWaalsContact C-N 3.27Å; R97-A99 PolarHBondContact O-N 2.87Å; R97-E100 CarbonylContact O-C 3.46Å; R97-E100 PolarHBondContact O-N 2.64Å; R97-E100 VanDerWaalsContact O-N 3.1Å; R97-E101 IonicContact CZ-OE1 3.18Å; R97-E101 IonicContact NE-OE1 2.64Å; R97-E101 PolarHBondContact NE-OE1 3.44Å; R97-E101 IonicContact NH2-OE1 2.8Å; R97-E101 PolarHBondContact NH2-OE1 2.88Å; R97-E101 WeakPolarHBondContact O-CB 3.49Å; R97-E101 VanDerWaalsContact O-CG 3.26Å; R97-E101 WeakPolarHBondContact O-CG 3.39Å; R97-E101 PolarHBondContact O-N 2.76Å
98	K	77	Confident	72.4	Confident	81 Å²	81	119 Å²	119	35%	0.352	54%	0.543	S	S	.	.	H	α-helix	trans	-63.1	-30.8	172.9	-74.1	167.6	-174.5	161	0	112.7	E94 L95 R102	E94-K98 HydrophobicContact CG-CD 4.46Å; E94-K98 WeakPolarHBondContact O-CB 3.43Å; E94-K98 VanDerWaalsContact O-CG 3.29Å; E94-K98 WeakPolarHBondContact O-CG 3.22Å; E94-K98 PolarHBondContact O-N 3.41Å; E94-K98 IonicContact OE1-NZ 2.78Å; E94-K98 PolarHBondContact OE1-NZ 3.37Å; E94-K98 IonicContact OE2-NZ 3.1Å; E94-K98 PolarHBondContact OE2-NZ 2.82Å; E94-K98 VanDerWaalsContact OE2-NZ 3.1Å; L95-K98 PolarHBondContact O-N 3.28Å; K98-R102 VanDerWaalsContact O-CB 3.22Å; K98-R102 WeakPolarHBondContact O-CB 3.43Å; K98-R102 WeakPolarHBondContact O-CG 2.9Å; K98-R102 PolarHBondContact O-N 2.83Å
99	A	72.3	Confident	72.8	Confident	49 Å²	49	117.7 Å²	117.7	41%	0.405	53%	0.531	S	S	.	.	H	α-helix	trans	-77.3	-27.4	173.6	0	0	0	0	0	112.4	L95 K96 R97 R102 K103	L95-A99 WeakPolarHBondContact O-CB 3.48Å; L95-A99 PolarHBondContact O-N 3.09Å; K96-A99 CarbonylContact O-C 3.53Å; K96-A99 WeakPolarHBondContact O-CA 3.26Å; K96-A99 WeakPolarHBondContact O-CB 3.48Å; K96-A99 PolarHBondContact O-N 3.05Å; K96-A99 VanDerWaalsContact O-N 3.16Å; R97-A99 VanDerWaalsContact C-N 3.27Å; R97-A99 PolarHBondContact O-N 2.87Å; A99-R102 CarbonylContact O-C 3.51Å; A99-K103 WeakPolarHBondContact O-CB 3.18Å; A99-K103 VanDerWaalsContact O-CG 3.26Å; A99-K103 WeakPolarHBondContact O-CG 3.23Å; A99-K103 PolarHBondContact O-N 3.1Å
100	E	71.7	Confident	73.4	Confident	91 Å²	91	113.4 Å²	113.4	43%	0.425	51%	0.512	S	S	.	.	H	α-helix	trans	-79.7	-39.8	173.6	-76.7	167.3	172.4	0	0	111.4	K96 R97 R102 K103	K96-E100 WeakPolarHBondContact CE-OE1 3.27Å; K96-E100 IonicContact NZ-OE1 3.88Å; K96-E100 WeakPolarHBondContact O-CB 3.5Å; K96-E100 WeakPolarHBondContact O-CG 3.41Å; K96-E100 PolarHBondContact O-N 3.05Å; R97-E100 CarbonylContact O-C 3.46Å; R97-E100 PolarHBondContact O-N 2.64Å; R97-E100 VanDerWaalsContact O-N 3.1Å; E100-R102 PolarHBondContact O-N 3.42Å; E100-K103 HydrophobicContact CG-CD 4.15Å; E100-K103 WeakPolarHBondContact O-CB 3.26Å; E100-K103 PolarHBondContact O-N 3.27Å; E100-K103 VanDerWaalsContact O-N 3.1Å; E100-K103 IonicContact OE1-NZ 3.87Å
101	E	69.3	Low	73.5	Confident	121 Å²	121	111.5 Å²	111.5	57%	0.565	50%	0.501	S	S	*	.	H	α-helix	trans	-59.4	-31.3	165.8	-70.1	164.1	-174.4	0	0	112.2	R97	R97-E101 IonicContact CZ-OE1 3.18Å; R97-E101 IonicContact NE-OE1 2.64Å; R97-E101 PolarHBondContact NE-OE1 3.44Å; R97-E101 IonicContact NH2-OE1 2.8Å; R97-E101 PolarHBondContact NH2-OE1 2.88Å; R97-E101 WeakPolarHBondContact O-CB 3.49Å; R97-E101 VanDerWaalsContact O-CG 3.26Å; R97-E101 WeakPolarHBondContact O-CG 3.39Å; R97-E101 PolarHBondContact O-N 2.76Å
102	R	63.7	Low	73.7	Confident	208 Å²	208	109.9 Å²	109.9	79%	0.785	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-6.3	173.7	-73.9	177.5	177.7	-159.8	-0.2	114.4	K98 A99 E100 E104	K98-R102 VanDerWaalsContact O-CB 3.22Å; K98-R102 WeakPolarHBondContact O-CB 3.43Å; K98-R102 WeakPolarHBondContact O-CG 2.9Å; K98-R102 PolarHBondContact O-N 2.83Å; A99-R102 CarbonylContact O-C 3.51Å; E100-R102 PolarHBondContact O-N 3.42Å; R102-E104 PolarHBondContact O-N 3.14Å
103	K	58.5	Low	73.8	Confident	138 Å²	138	108.9 Å²	108.9	60%	0.6	49%	0.492	S	S	*	.	S	Bend	trans	-74.8	91.5	172	-92.5	171.8	-172	174	0	105.6	A99 E100 T105	A99-K103 WeakPolarHBondContact O-CB 3.18Å; A99-K103 VanDerWaalsContact O-CG 3.26Å; A99-K103 WeakPolarHBondContact O-CG 3.23Å; A99-K103 PolarHBondContact O-N 3.1Å; E100-K103 HydrophobicContact CG-CD 4.15Å; E100-K103 WeakPolarHBondContact O-CB 3.26Å; E100-K103 PolarHBondContact O-N 3.27Å; E100-K103 VanDerWaalsContact O-N 3.1Å; E100-K103 IonicContact OE1-NZ 3.87Å; K103-T105 PolarHBondContact O-N 3.18Å; K103-T105 VanDerWaalsContact O-N 3.08Å
104	E	62.7	Low	73.7	Confident	87 Å²	87	101.6 Å²	101.6	41%	0.407	47%	0.466	S	S	.	.			trans	-42.8	120.1	168.9	-58.6	-174.5	-179.5	0	0	108.2	R102 D108 K109 K112	R102-E104 PolarHBondContact O-N 3.14Å; E104-D108 HydrophobicContact CB-CB 4.19Å; E104-K109 HydrophobicContact CB-CG 3.99Å; E104-K109 VanDerWaalsContact O-CE 3.31Å; E104-K109 WeakPolarHBondContact O-CE 3.42Å; E104-K112 IonicContact OE1-NZ 2.86Å; E104-K112 PolarHBondContact OE1-NZ 3.27Å; E104-K112 IonicContact OE2-NZ 2.67Å; E104-K112 PolarHBondContact OE2-NZ 3.02Å
105	T	74.4	Confident	73.6	Confident	72 Å²	72	99.9 Å²	99.9	44%	0.442	47%	0.467	S	S	.	.			trans	-61.1	158.7	-179.7	65.1	0	0	0	0	108.5	K103 R107 D108 K109	K103-T105 PolarHBondContact O-N 3.18Å; K103-T105 VanDerWaalsContact O-N 3.08Å; T105-R107 PolarHBondContact O-N 2.9Å; T105-R107 VanDerWaalsContact O-N 3.16Å; T105-D108 WeakPolarHBondContact CB-OD2 3.36Å; T105-D108 WeakPolarHBondContact CG2-OD2 3.34Å; T105-D108 PolarHBondContact N-OD2 3.49Å; T105-D108 PolarHBondContact O-N 3.2Å; T105-D108 PolarHBondContact OG1-N 3.5Å; T105-D108 PolarHBondContact OG1-OD2 3.37Å; T105-K109 PolarHBondContact O-N 2.88Å
106	E	73.2	Confident	73.6	Confident	152 Å²	152	101.5 Å²	101.5	71%	0.71	47%	0.469	S	S	*	.	H	α-helix	trans	-58.6	-30.4	175.4	-62.6	-169	144.2	0	0	111.4	K110	E106-K110 WeakPolarHBondContact O-CB 3.34Å; E106-K110 WeakPolarHBondContact O-CG 3.43Å; E106-K110 PolarHBondContact O-N 3.28Å
107	R	69.7	Low	73.4	Confident	127 Å²	127	97.8 Å²	97.8	48%	0.479	45%	0.454	S	S	.	.	H	α-helix	trans	-60.4	-49.4	168.9	173.2	169.9	-179.2	168.2	1.9	112.9	T105 K109 K110 L111 M578	T105-R107 PolarHBondContact O-N 2.9Å; T105-R107 VanDerWaalsContact O-N 3.16Å; R107-K109 VanDerWaalsContact C-N 3.33Å; R107-K109 PolarHBondContact O-N 3.25Å; R107-K110 PolarHBondContact O-N 2.85Å; R107-L111 HydrophobicContact CG-CD1 3.98Å; R107-L111 WeakPolarHBondContact O-CB 3.31Å; R107-L111 VanDerWaalsContact O-CG 3.31Å; R107-L111 WeakPolarHBondContact O-CG 3.29Å; R107-L111 PolarHBondContact O-N 2.73Å; R107-M578 HydrophobicContact CB-SD 3.83Å; R107-M578 HydrophobicContact CG-CB 4.43Å; R107-M578 HydrophobicContact CG-CG 4.25Å; R107-M578 HydrophobicContact CG-SD 3.64Å
108	D	73.7	Confident	73.1	Confident	70 Å²	70	93 Å²	93	37%	0.374	44%	0.438	S	S	.	.	H	α-helix	trans	-63.5	-39	179	-58.9	-48.9	0	0	0	112.1	E104 T105 L111 K112	E104-D108 HydrophobicContact CB-CB 4.19Å; T105-D108 WeakPolarHBondContact CB-OD2 3.36Å; T105-D108 WeakPolarHBondContact CG2-OD2 3.34Å; T105-D108 PolarHBondContact N-OD2 3.49Å; T105-D108 PolarHBondContact O-N 3.2Å; T105-D108 PolarHBondContact OG1-N 3.5Å; T105-D108 PolarHBondContact OG1-OD2 3.37Å; D108-L111 PolarHBondContact O-N 3.08Å; D108-K112 WeakPolarHBondContact O-CG 3.5Å; D108-K112 PolarHBondContact O-N 3.08Å
109	K	80.1	Confident	72.8	Confident	119 Å²	119	95 Å²	95	52%	0.517	45%	0.448	S	S	.	.	H	α-helix	trans	-64.1	-46.3	177.1	-68	175.9	-175.2	167.8	0	111.6	E104 T105 R107 K112 E113	E104-K109 HydrophobicContact CB-CG 3.99Å; E104-K109 VanDerWaalsContact O-CE 3.31Å; E104-K109 WeakPolarHBondContact O-CE 3.42Å; T105-K109 PolarHBondContact O-N 2.88Å; R107-K109 VanDerWaalsContact C-N 3.33Å; R107-K109 PolarHBondContact O-N 3.25Å; K109-K112 PolarHBondContact O-N 3.14Å; K109-E113 PolarHBondContact O-N 2.8Å
110	K	76.7	Confident	72.7	Confident	73 Å²	73	96.2 Å²	96.2	32%	0.317	45%	0.454	S	S	.	.	H	α-helix	trans	-60.4	-47.9	175.5	-74.7	176.3	177.6	-178.3	0	111.3	E106 R107 K112 E113 E114 E575 M578	E106-K110 WeakPolarHBondContact O-CB 3.34Å; E106-K110 WeakPolarHBondContact O-CG 3.43Å; E106-K110 PolarHBondContact O-N 3.28Å; R107-K110 PolarHBondContact O-N 2.85Å; K110-K112 VanDerWaalsContact C-N 3.27Å; K110-K112 PolarHBondContact O-N 2.95Å; K110-E113 WeakPolarHBondContact O-CB 3.37Å; K110-E113 PolarHBondContact O-N 3.18Å; K110-E113 VanDerWaalsContact O-N 3.08Å; K110-E114 WeakPolarHBondContact O-CG 3.3Å; K110-E114 PolarHBondContact O-N 2.8Å; K110-E575 VanDerWaalsContact NZ-CD 3.34Å; K110-E575 IonicContact NZ-OE1 3.75Å; K110-E575 PolarHBondContact NZ-OE1 2.7Å; K110-E575 IonicContact NZ-OE2 2.75Å; K110-M578 HydrophobicContact CB-CE 4.32Å; K110-M578 HydrophobicContact CD-CE 4.22Å
111	L	78.2	Confident	72.5	Confident	53 Å²	53	93.8 Å²	93.8	28%	0.277	45%	0.445	S	S	.	.	H	α-helix	trans	-59.5	-34.9	177.1	-71.2	169.8	0	0	0	112.9	R107 D108 A115	R107-L111 HydrophobicContact CG-CD1 3.98Å; R107-L111 WeakPolarHBondContact O-CB 3.31Å; R107-L111 VanDerWaalsContact O-CG 3.31Å; R107-L111 WeakPolarHBondContact O-CG 3.29Å; R107-L111 PolarHBondContact O-N 2.73Å; D108-L111 PolarHBondContact O-N 3.08Å; L111-A115 VanDerWaalsContact O-CB 3.29Å; L111-A115 WeakPolarHBondContact O-CB 3.34Å; L111-A115 PolarHBondContact O-N 2.85Å
112	K	77.4	Confident	72	Confident	113 Å²	113	90.5 Å²	90.5	49%	0.491	44%	0.439	S	S	.	.	H	α-helix	trans	-71	-38.1	173.6	-74.9	178.5	-178.6	-172.4	0	113.4	E104 D108 K109 K110 A115 K116	E104-K112 IonicContact OE1-NZ 2.86Å; E104-K112 PolarHBondContact OE1-NZ 3.27Å; E104-K112 IonicContact OE2-NZ 2.67Å; E104-K112 PolarHBondContact OE2-NZ 3.02Å; D108-K112 WeakPolarHBondContact O-CG 3.5Å; D108-K112 PolarHBondContact O-N 3.08Å; K109-K112 PolarHBondContact O-N 3.14Å; K110-K112 VanDerWaalsContact C-N 3.27Å; K110-K112 PolarHBondContact O-N 2.95Å; K112-A115 PolarHBondContact O-N 3.41Å; K112-K116 WeakPolarHBondContact O-CB 3.36Å; K112-K116 PolarHBondContact O-N 3.32Å
113	E	81.1	Confident	70.9	Confident	113 Å²	113	87.1 Å²	87.1	53%	0.528	43%	0.431	S	S	.	.	H	α-helix	trans	-64.4	-46.4	174.7	-179.1	167.5	-159.3	0	0	111	K109 K110 A115 K116 I117	K109-E113 PolarHBondContact O-N 2.8Å; K110-E113 WeakPolarHBondContact O-CB 3.37Å; K110-E113 PolarHBondContact O-N 3.18Å; K110-E113 VanDerWaalsContact O-N 3.08Å; E113-A115 PolarHBondContact O-N 2.78Å; E113-K116 PolarHBondContact O-N 3.19Å; E113-I117 HydrophobicContact CG-CD1 4.05Å; E113-I117 WeakPolarHBondContact O-CG1 3.36Å; E113-I117 PolarHBondContact O-N 3.22Å
114	E	75.5	Confident	70.4	Confident	26 Å²	26	88.7 Å²	88.7	12%	0.121	44%	0.438	C	S	.	.	H	α-helix	trans	-57.5	-47.3	173	-69.2	-176.7	154.5	0	0	112.2	K110 K116 I117 L118 R593 I594 T595	K110-E114 WeakPolarHBondContact O-CG 3.3Å; K110-E114 PolarHBondContact O-N 2.8Å; E114-K116 VanDerWaalsContact C-N 3.3Å; E114-K116 PolarHBondContact O-N 2.98Å; E114-I117 PolarHBondContact O-N 2.97Å; E114-L118 WeakPolarHBondContact O-CB 3.43Å; E114-L118 PolarHBondContact O-N 2.79Å; E114-R593 VanDerWaalsContact OE1-CD 3.32Å; E114-R593 WeakPolarHBondContact OE1-CD 3.44Å; E114-R593 IonicContact OE1-CZ 2.9Å; E114-R593 IonicContact OE1-NE 2.94Å; E114-R593 IonicContact OE1-NH1 3.34Å; E114-R593 PolarHBondContact OE1-NH1 3.18Å; E114-R593 IonicContact OE2-NH1 3.42Å; E114-R593 PolarHBondContact OE2-NH1 3.37Å; E114-I594 HydrophobicContact CB-CG2 3.64Å; E114-I594 HydrophobicContact CG-CG2 3.54Å; E114-T595 HydrophobicContact CG-CG2 4.01Å
115	A	76	Confident	69.4	Low	54 Å²	54	89.9 Å²	89.9	45%	0.446	45%	0.452	S	S	.	.	H	α-helix	trans	-59.9	-39.8	176.8	0	0	0	0	0	112.1	L111 K112 E113 L118 E119	L111-A115 VanDerWaalsContact O-CB 3.29Å; L111-A115 WeakPolarHBondContact O-CB 3.34Å; L111-A115 PolarHBondContact O-N 2.85Å; K112-A115 PolarHBondContact O-N 3.41Å; E113-A115 PolarHBondContact O-N 2.78Å; A115-L118 PolarHBondContact O-N 2.9Å; A115-E119 VanDerWaalsContact O-CB 3.29Å; A115-E119 WeakPolarHBondContact O-CB 3.4Å; A115-E119 PolarHBondContact O-N 3.39Å
116	K	79.8	Confident	67.8	Low	153 Å²	153	89.8 Å²	89.8	67%	0.665	46%	0.458	S	S	*	.	H	α-helix	trans	-70.8	-42.4	178.5	-174.9	-175	178.1	-171.4	0	112.9	K112 E113 E114 L118 E119 S120	K112-K116 WeakPolarHBondContact O-CB 3.36Å; K112-K116 PolarHBondContact O-N 3.32Å; E113-K116 PolarHBondContact O-N 3.19Å; E114-K116 VanDerWaalsContact C-N 3.3Å; E114-K116 PolarHBondContact O-N 2.98Å; K116-L118 VanDerWaalsContact C-N 3.27Å; K116-L118 PolarHBondContact O-N 2.99Å; K116-E119 PolarHBondContact O-N 3.11Å; K116-S120 PolarHBondContact O-N 3.29Å
117	I	75.7	Confident	66.7	Low	36 Å²	36	83.1 Å²	83.1	19%	0.185	43%	0.428	C	S	.	.	H	α-helix	trans	-57.4	-48.5	172.5	-69.1	165.6	0	0	0	108.7	E113 E114 S120 V121 I594 T595 L600	E113-I117 HydrophobicContact CG-CD1 4.05Å; E113-I117 WeakPolarHBondContact O-CG1 3.36Å; E113-I117 PolarHBondContact O-N 3.22Å; E114-I117 PolarHBondContact O-N 2.97Å; I117-S120 PolarHBondContact O-N 2.89Å; I117-S120 PolarHBondContact O-OG 3.06Å; I117-V121 WeakPolarHBondContact O-CG2 3.07Å; I117-V121 PolarHBondContact O-N 2.84Å; I117-I594 HydrophobicContact CG2-CD1 4Å; I117-I594 HydrophobicContact CG2-CG1 4.05Å; I117-T595 HydrophobicContact CD1-CG2 3.99Å; I117-L600 HydrophobicContact CG2-CD2 3.51Å
118	L	69.3	Low	65.8	Low	18 Å²	18	80.5 Å²	80.5	9%	0.094	42%	0.419	C	S	.	.	H	α-helix	trans	-65.8	-38.7	-178.4	-173.3	54.8	0	0	0	113.3	E114 A115 K116 V121 A122 K382 A585 I594	E114-L118 WeakPolarHBondContact O-CB 3.43Å; E114-L118 PolarHBondContact O-N 2.79Å; A115-L118 PolarHBondContact O-N 2.9Å; K116-L118 VanDerWaalsContact C-N 3.27Å; K116-L118 PolarHBondContact O-N 2.99Å; L118-V121 PolarHBondContact O-N 2.89Å; L118-A122 VanDerWaalsContact O-CB 3.23Å; L118-A122 WeakPolarHBondContact O-CB 3.05Å; L118-A122 PolarHBondContact O-N 2.81Å; L118-K382 HydrophobicContact CD1-CB 4.09Å; L118-K382 HydrophobicContact CD1-CG 4.23Å; L118-K382 HydrophobicContact CD2-CB 4.32Å; L118-K382 HydrophobicContact CD2-CD 3.68Å; L118-K382 VanDerWaalsContact CD2-CE 3.47Å; L118-K382 HydrophobicContact CD2-CG 3.81Å; L118-K382 HydrophobicContact CG-CG 4.39Å; L118-A585 HydrophobicContact CD2-CB 4.06Å; L118-I594 HydrophobicContact CB-CD1 3.79Å; L118-I594 HydrophobicContact CD1-CD1 3.82Å; L118-I594 HydrophobicContact CG-CD1 4.28Å
119	E	70.2	Confident	64.6	Low	121 Å²	121	77.4 Å²	77.4	57%	0.565	41%	0.405	S	S	*	.	H	α-helix	trans	-60.2	-49.4	172.6	-176.2	169.6	-134	0	0	110.6	A115 K116 V121 A122 E123	A115-E119 VanDerWaalsContact O-CB 3.29Å; A115-E119 WeakPolarHBondContact O-CB 3.4Å; A115-E119 PolarHBondContact O-N 3.39Å; K116-E119 PolarHBondContact O-N 3.11Å; E119-V121 PolarHBondContact O-N 2.84Å; E119-A122 PolarHBondContact O-N 3.07Å; E119-E123 WeakPolarHBondContact O-CG 3.25Å; E119-E123 PolarHBondContact O-N 3.22Å
120	S	70.7	Confident	63.2	Low	76 Å²	76	77.6 Å²	77.6	53%	0.531	42%	0.415	S	S	.	.	H	α-helix	trans	-60.6	-21.7	178	77.6	0	0	0	0	114.6	K116 I117	K116-S120 PolarHBondContact O-N 3.29Å; I117-S120 PolarHBondContact O-N 2.89Å; I117-S120 PolarHBondContact O-OG 3.06Å
121	V	66.4	Low	62	Low	40 Å²	40	76.6 Å²	76.6	24%	0.242	42%	0.42	C	S	.	.	H	α-helix	trans	-93.6	-32.4	176.8	175.1	0	0	0	0	111.8	I117 L118 E119 Y586 L600 M603	I117-V121 WeakPolarHBondContact O-CG2 3.07Å; I117-V121 PolarHBondContact O-N 2.84Å; L118-V121 PolarHBondContact O-N 2.89Å; E119-V121 PolarHBondContact O-N 2.84Å; V121-Y586 HydrophobicContact CG1-CD2 3.8Å; V121-Y586 HydrophobicContact CG1-CE2 3.44Å; V121-Y586 VanDerWaalsContact CG1-CE2 3.44Å; V121-L600 HydrophobicContact CG1-CD1 4.48Å; V121-L600 HydrophobicContact CG2-CD1 3.55Å; V121-M603 HydrophobicContact CG1-CE 4.43Å
122	A	59.1	Low	61	Low	52 Å²	52	75.2 Å²	75.2	43%	0.43	41%	0.413	S	S	.	.	H	α-helix	trans	-77.9	-20.5	176.3	0	0	0	0	0	113.1	L118 E119 K124 N386	L118-A122 VanDerWaalsContact O-CB 3.23Å; L118-A122 WeakPolarHBondContact O-CB 3.05Å; L118-A122 PolarHBondContact O-N 2.81Å; E119-A122 PolarHBondContact O-N 3.07Å; A122-K124 VanDerWaalsContact C-N 3.33Å; A122-K124 PolarHBondContact O-N 2.85Å; A122-N386 WeakPolarHBondContact CB-ND2 3.29Å
123	E	41.1	Very low	59.8	Low	136 Å²	136	74.4 Å²	74.4	64%	0.636	41%	0.413	S	S	*	.			trans	-68.1	83.2	175.8	-81.1	-166.4	153.7	0	0	112.9	E119	E119-E123 WeakPolarHBondContact O-CG 3.25Å; E119-E123 PolarHBondContact O-N 3.22Å
124	K	46.7	Very low	58.5	Low	171 Å²	171	73.2 Å²	73.2	74%	0.743	42%	0.423	S	S	*	.	S	Bend	trans	-163.1	108.8	138.7	-100	138.8	-161.3	169	0	113.3	A122	A122-K124 VanDerWaalsContact C-N 3.33Å; A122-K124 PolarHBondContact O-N 2.85Å
125	T	42.7	Very low	57.7	Low	113 Å²	113	79.2 Å²	79.2	69%	0.693	45%	0.448	S	S	*	.			trans	69.3	117.9	158.7	-21.7	0	0	0	0	116.4	L127	T125-L127 WeakPolarHBondContact O-CD2 3.48Å
126	A	40.3	Very low	56.9	Low	70 Å²	70	79.5 Å²	79.5	58%	0.579	46%	0.456	S	S	*	.			trans	-77.8	142	170.3	0	0	0	0	0	111.8
127	L	49.9	Very low	56.4	Low	12 Å²	12	75 Å²	75	6%	0.063	44%	0.439	C	S	.	.			trans	-110.4	37.6	-155.2	-46.1	178.5	0	0	0	116.9	T125 G129 R361 F387 S390	T125-L127 WeakPolarHBondContact O-CD2 3.48Å; L127-G129 PolarHBondContact O-N 2.74Å; L127-R361 HydrophobicContact CD1-CG 4.03Å; L127-R361 HydrophobicContact CD2-CG 3.88Å; L127-R361 HydrophobicContact CG-CG 4.45Å; L127-F387 HydrophobicContact CD1-CD2 3.83Å; L127-F387 HydrophobicContact CD1-CE2 4.14Å; L127-S390 CarbonylContact C-O 3.43Å; L127-S390 VanDerWaalsContact CD1-OG 3.26Å; L127-S390 WeakPolarHBondContact CD1-OG 3.16Å; L127-S390 WeakPolarHBondContact CG-OG 3.44Å
128	K	50.6	Low	56.2	Low	71 Å²	71	80.6 Å²	80.6	31%	0.309	46%	0.464	S	S	.	.	S	Bend	trans	-60.1	143.2	149.6	-54.4	-171.3	-176	177.6	0	106.4	V130 E132 L133 I137	K128-V130 PolarHBondContact O-N 2.7Å; K128-E132 HydrophobicContact CB-CB 4.19Å; K128-L133 HydrophobicContact CB-CB 3.98Å; K128-L133 HydrophobicContact CB-CD1 3.72Å; K128-L133 HydrophobicContact CB-CG 4.46Å; K128-L133 HydrophobicContact CD-CD1 4.08Å; K128-L133 HydrophobicContact CG-CD1 3.91Å; K128-I137 WeakPolarHBondContact CD-O 3.22Å; K128-I137 PolarHBondContact NZ-O 3.48Å
129	G	48.5	Very low	56.6	Low	6 Å²	6	82.8 Å²	82.8	6%	0.062	47%	0.472	C	S	.	.			trans	-51.2	140.5	175.1	0	0	0	0	0	108.7	L127 A131 E132 L133	L127-G129 PolarHBondContact O-N 2.74Å; G129-A131 CarbonylContact O-C 3.59Å; G129-A131 PolarHBondContact O-N 3.29Å; G129-E132 WeakPolarHBondContact O-CA 3.44Å; G129-E132 PolarHBondContact O-N 3.4Å; G129-L133 PolarHBondContact O-N 3.26Å
130	V	50.7	Low	57.1	Low	123 Å²	123	81.3 Å²	81.3	75%	0.745	47%	0.468	S	S	*	.	H	α-helix	trans	-51.3	-33.5	-171.6	-179.4	0	0	0	0	111.6	K128 A134	K128-V130 PolarHBondContact O-N 2.7Å; V130-A134 WeakPolarHBondContact O-CB 3.32Å; V130-A134 PolarHBondContact O-N 3.03Å
131	A	52	Low	57.8	Low	51 Å²	51	84.1 Å²	84.1	42%	0.421	47%	0.471	S	S	.	.	H	α-helix	trans	-71.3	-33.9	172.4	0	0	0	0	0	115.7	G129 K135	G129-A131 CarbonylContact O-C 3.59Å; G129-A131 PolarHBondContact O-N 3.29Å; A131-K135 WeakPolarHBondContact O-CB 3.29Å; A131-K135 VanDerWaalsContact O-CD 3.3Å; A131-K135 WeakPolarHBondContact O-CD 3.26Å; A131-K135 WeakPolarHBondContact O-CG 3.05Å; A131-K135 PolarHBondContact O-N 3.48Å
132	E	56.6	Low	58.7	Low	24 Å²	24	84.9 Å²	84.9	11%	0.112	48%	0.476	C	S	.	.	H	α-helix	trans	-75.9	-40.2	174.6	-67	-173.8	134.6	0	0	111.7	K128 G129 K135 G136 I137	K128-E132 HydrophobicContact CB-CB 4.19Å; G129-E132 WeakPolarHBondContact O-CA 3.44Å; G129-E132 PolarHBondContact O-N 3.4Å; E132-K135 CarbonylContact O-C 3.42Å; E132-K135 PolarHBondContact O-N 3.44Å; E132-G136 PolarHBondContact O-N 2.97Å; E132-G136 VanDerWaalsContact O-N 3.08Å; E132-I137 PolarHBondContact O-N 2.88Å; E132-I137 VanDerWaalsContact O-N 3.15Å
133	L	53.5	Low	60.1	Low	96 Å²	96	84 Å²	84	50%	0.503	46%	0.464	S	S	.	.	H	α-helix	trans	-61	-48.1	173.4	-154.9	99.2	0	0	0	110.1	K128 G129 K135 G136	K128-L133 HydrophobicContact CB-CB 3.98Å; K128-L133 HydrophobicContact CB-CD1 3.72Å; K128-L133 HydrophobicContact CB-CG 4.46Å; K128-L133 HydrophobicContact CD-CD1 4.08Å; K128-L133 HydrophobicContact CG-CD1 3.91Å; G129-L133 PolarHBondContact O-N 3.26Å; L133-K135 PolarHBondContact O-N 2.83Å; L133-G136 PolarHBondContact O-N 3.39Å
134	A	52.7	Low	62.3	Low	88 Å²	88	86.5 Å²	86.5	73%	0.727	48%	0.476	S	S	*	.	H	α-helix	trans	-65	-23.3	176.9	0	0	0	0	0	114	V130	V130-A134 WeakPolarHBondContact O-CB 3.32Å; V130-A134 PolarHBondContact O-N 3.03Å
135	K	58.7	Low	64.4	Low	152 Å²	152	80.4 Å²	80.4	66%	0.661	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-4.8	173.5	-73	171	-174.1	177.8	0	113.6	A131 E132 L133 I137	A131-K135 WeakPolarHBondContact O-CB 3.29Å; A131-K135 VanDerWaalsContact O-CD 3.3Å; A131-K135 WeakPolarHBondContact O-CD 3.26Å; A131-K135 WeakPolarHBondContact O-CG 3.05Å; A131-K135 PolarHBondContact O-N 3.48Å; E132-K135 CarbonylContact O-C 3.42Å; E132-K135 PolarHBondContact O-N 3.44Å; L133-K135 PolarHBondContact O-N 2.83Å; K135-I137 HydrophobicContact CB-CD1 3.89Å; K135-I137 HydrophobicContact CB-CG1 3.88Å; K135-I137 HydrophobicContact CD-CD1 3.98Å; K135-I137 PolarHBondContact O-N 3.45Å
136	G	60.7	Low	66.6	Low	60 Å²	60	78.5 Å²	78.5	62%	0.619	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	15.5	-177	0	0	0	0	0	114.8	E132 L133 Q138	E132-G136 PolarHBondContact O-N 2.97Å; E132-G136 VanDerWaalsContact O-N 3.08Å; L133-G136 PolarHBondContact O-N 3.39Å; G136-Q138 PolarHBondContact O-N 3.19Å
137	I	69.2	Low	69.2	Low	60 Å²	60	76.8 Å²	76.8	31%	0.308	42%	0.423	S	S	.	.			trans	-70.2	134.6	-176.2	-62.8	170.7	0	0	0	109.3	K128 E132 K135 Y139	K128-I137 WeakPolarHBondContact CD-O 3.22Å; K128-I137 PolarHBondContact NZ-O 3.48Å; E132-I137 PolarHBondContact O-N 2.88Å; E132-I137 VanDerWaalsContact O-N 3.15Å; K135-I137 HydrophobicContact CB-CD1 3.89Å; K135-I137 HydrophobicContact CB-CG1 3.88Å; K135-I137 HydrophobicContact CD-CD1 3.98Å; K135-I137 PolarHBondContact O-N 3.45Å; I137-Y139 HydrophobicContact CG2-CD1 4.43Å; I137-Y139 HydrophobicContact CG2-CD2 4.44Å; I137-Y139 HydrophobicContact CG2-CE1 3.86Å; I137-Y139 HydrophobicContact CG2-CE2 3.9Å
138	Q	70.7	Confident	71.2	Confident	152 Å²	152	80.4 Å²	80.4	71%	0.71	45%	0.445	S	S	*	.			trans	-138.7	115.7	172.4	-174.4	159.6	-17.2	0	0	108.8	G136	G136-Q138 PolarHBondContact O-N 3.19Å
139	Y	78.7	Confident	73.3	Confident	65 Å²	65	78.2 Å²	78.2	26%	0.255	44%	0.438	S	S	.	.			trans	-79.3	129.6	170.6	-55.2	-67.2	0	0	0	108.6	I137 Q370 V393	I137-Y139 HydrophobicContact CG2-CD1 4.43Å; I137-Y139 HydrophobicContact CG2-CD2 4.44Å; I137-Y139 HydrophobicContact CG2-CE1 3.86Å; I137-Y139 HydrophobicContact CG2-CE2 3.9Å; Y139-Q370 HydrophobicContact CD1-CB 3.88Å; Y139-Q370 HydrophobicContact CD1-CG 3.86Å; Y139-Q370 VanDerWaalsContact CD1-OE1 3.32Å; Y139-Q370 HydrophobicContact CD2-CB 4.19Å; Y139-Q370 HydrophobicContact CD2-CG 3.9Å; Y139-Q370 HydrophobicContact CE1-CB 3.66Å; Y139-Q370 HydrophobicContact CE1-CG 4.17Å; Y139-Q370 HydrophobicContact CE2-CB 3.96Å; Y139-Q370 HydrophobicContact CE2-CG 4.18Å; Y139-Q370 HydrophobicContact CG-CB 4.15Å; Y139-Q370 HydrophobicContact CG-CG 3.73Å; Y139-Q370 PolarHBondContact OH-N 3Å; Y139-V393 VanDerWaalsContact O-CG1 3.27Å; Y139-V393 WeakPolarHBondContact O-CG1 3.3Å
140	D	80.2	Confident	75.5	Confident	90 Å²	90	78.3 Å²	78.3	48%	0.481	44%	0.438	S	S	.	.			trans	-109.8	-15.6	-176.4	68.3	-43.3	0	0	0	113	K394	D140-K394 WeakPolarHBondContact O-CE 3.4Å; D140-K394 PolarHBondContact O-NZ 3.08Å
141	K	84.4	Confident	77.6	Confident	135 Å²	135	76.5 Å²	76.5	59%	0.587	43%	0.427	S	S	*	.	S	Bend	trans	-126.1	149.1	-174.6	-71.1	168.6	-170	178.3	0	110.9	Q370	K141-Q370 PolarHBondContact O-NE2 2.89Å
142	P	85.8	Confident	79.6	Confident	55 Å²	55	80 Å²	80	36%	0.357	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-66	165.3	173	30.1	-36.2	0	0	0	112.1	G219	P142-G219 WeakPolarHBondContact CB-O 3.22Å
143	I	88.8	Confident	81.4	Confident	34 Å²	34	79.2 Å²	79.2	17%	0.174	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-67.2	135.3	172.2	-69.8	-170	0	0	0	109	G219 Q370 Q372	I143-G219 PolarHBondContact N-O 2.9Å; I143-G219 WeakPolarHBondContact O-CA 3.26Å; I143-Q370 HydrophobicContact CD1-CB 4.48Å; I143-Q370 HydrophobicContact CD1-CG 4.16Å; I143-Q370 HydrophobicContact CG1-CG 3.94Å; I143-Q372 HydrophobicContact CD1-CB 4.35Å
144	Q	87.1	Confident	83.2	Confident	188 Å²	188	79.5 Å²	79.5	88%	0.879	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-75.8	128.8	173.8	-65.7	-177.5	-7	0	0	110.2
145	T	91.3	Very high	85.1	Confident	44 Å²	44	82.7 Å²	82.7	27%	0.27	43%	0.425	S	S	.	.			trans	-112.2	165.4	175.7	68.5	0	0	0	0	110.6	W147 L217 F243	T145-W147 VanDerWaalsContact C-N 3.27Å; T145-L217 WeakPolarHBondContact CB-O 3.28Å; T145-L217 WeakPolarHBondContact CG2-O 3.39Å; T145-L217 PolarHBondContact OG1-O 2.93Å; T145-F243 HydrophobicContact CG2-CE1 4.03Å; T145-F243 HydrophobicContact CG2-CE2 4.45Å; T145-F243 HydrophobicContact CG2-CZ 3.72Å
146	S	88.4	Confident	86.8	Confident	73 Å²	73	76.3 Å²	76.3	51%	0.51	40%	0.398	S	S	.	.	S	Bend	trans	-81.5	-3.9	173.1	46.6	0	0	0	0	113.3	D246	S146-D246 PolarHBondContact OG-OD2 3.12Å
147	W	94.1	Very high	88.4	Confident	33 Å²	33	76.4 Å²	76.4	13%	0.125	39%	0.389	C	S	.	.			trans	-87.4	132.1	-175.6	-177.7	88.1	0	0	0	111.9	T145 P149 I181 M187 P214 L217 S218	T145-W147 VanDerWaalsContact C-N 3.27Å; W147-P149 HydrophobicContact CH2-CB 3.62Å; W147-P149 HydrophobicContact CH2-CG 3.85Å; W147-P149 HydrophobicContact CZ2-CB 3.99Å; W147-P149 HydrophobicContact CZ3-CB 4.14Å; W147-P149 HydrophobicContact CZ3-CG 3.86Å; W147-I181 HydrophobicContact CH2-CD1 4.06Å; W147-I181 HydrophobicContact CZ2-CD1 4.17Å; W147-M187 PolarHBondContact NE1-O 3.09Å; W147-P214 HydrophobicContact CH2-CB 4.18Å; W147-L217 HydrophobicContact CB-CB 4.32Å; W147-L217 HydrophobicContact CD2-CB 3.45Å; W147-L217 VanDerWaalsContact CD2-CB 3.45Å; W147-L217 HydrophobicContact CD2-CD1 4.26Å; W147-L217 HydrophobicContact CD2-CG 4.35Å; W147-L217 HydrophobicContact CE3-CB 3.54Å; W147-L217 HydrophobicContact CG-CB 3.81Å; W147-L217 HydrophobicContact CG-CD2 4.43Å; W147-L217 HydrophobicContact CH2-CB 4.31Å; W147-L217 HydrophobicContact CH2-CD1 4.45Å; W147-L217 HydrophobicContact CZ2-CB 4.26Å; W147-L217 HydrophobicContact CZ2-CD1 3.85Å; W147-L217 HydrophobicContact CZ3-CB 3.98Å; W147-S218 WeakPolarHBondContact CZ3-OG 3.45Å
148	V	92.9	Very high	89.5	Confident	88 Å²	88	78.3 Å²	78.3	53%	0.533	40%	0.396	S	S	.	.			trans	-137.2	123.8	179.2	177.9	0	0	0	0	108.2
149	P	93.8	Very high	90.7	Very high	25 Å²	25	79 Å²	79	16%	0.162	40%	0.4	C	S	.	.			trans	-70.5	166.9	179.4	23.9	-25.6	0	0	0	111.7	W147 I153 Q154 I181	W147-P149 HydrophobicContact CH2-CB 3.62Å; W147-P149 HydrophobicContact CH2-CG 3.85Å; W147-P149 HydrophobicContact CZ2-CB 3.99Å; W147-P149 HydrophobicContact CZ3-CB 4.14Å; W147-P149 HydrophobicContact CZ3-CG 3.86Å; P149-I153 HydrophobicContact CB-CB 4.28Å; P149-I153 HydrophobicContact CB-CG2 4.07Å; P149-Q154 HydrophobicContact CG-CG 3.81Å; P149-Q154 PolarHBondContact O-NE2 3.27Å; P149-I181 HydrophobicContact CB-CD1 4.29Å
150	P	94.9	Very high	91.4	Very high	9 Å²	9	79.8 Å²	79.8	6%	0.058	40%	0.404	C	S	.	.			trans	-56	147.9	173.2	-22.6	33.7	0	0	0	112.3	Y152 I153 Q154 E186 R188	P150-Y152 VanDerWaalsContact C-N 3.3Å; P150-Y152 HydrophobicContact CB-CD1 3.72Å; P150-Y152 HydrophobicContact CB-CE1 3.31Å; P150-Y152 HydrophobicContact CB-CG 4.49Å; P150-Y152 HydrophobicContact CG-CE1 4.07Å; P150-Y152 PolarHBondContact O-N 3.44Å; P150-I153 HydrophobicContact CB-CG1 4.32Å; P150-I153 HydrophobicContact CG-CG1 4.34Å; P150-I153 WeakPolarHBondContact O-CA 3.44Å; P150-I153 WeakPolarHBondContact O-CB 3.39Å; P150-I153 PolarHBondContact O-N 3.27Å; P150-Q154 PolarHBondContact O-N 2.93Å; P150-Q154 VanDerWaalsContact O-N 3.12Å; P150-E186 WeakPolarHBondContact CD-O 3.49Å; P150-E186 WeakPolarHBondContact CG-O 3.35Å; P150-R188 HydrophobicContact CG-CG 4.46Å
151	V	94.8	Very high	92.1	Very high	84 Å²	84	75.5 Å²	75.5	51%	0.509	38%	0.381	S	S	.	.	H	α-helix	trans	-55.2	-43.9	-176.2	-179.8	0	0	0	0	111.9	I153 Q154 E155	V151-I153 PolarHBondContact O-N 3.02Å; V151-I153 VanDerWaalsContact O-N 3.13Å; V151-Q154 WeakPolarHBondContact O-CB 3.3Å; V151-Q154 PolarHBondContact O-N 2.62Å; V151-E155 HydrophobicContact CG1-CG 4.14Å; V151-E155 WeakPolarHBondContact CG1-OE1 3.47Å; V151-E155 PolarHBondContact O-N 3.03Å
152	Y	94.2	Very high	92.6	Very high	126 Å²	126	73.2 Å²	73.2	49%	0.494	37%	0.373	S	S	.	.	H	α-helix	trans	-66.2	-13.2	177.6	70	-95.4	0	0	0	115.1	P150 E186	P150-Y152 VanDerWaalsContact C-N 3.3Å; P150-Y152 HydrophobicContact CB-CD1 3.72Å; P150-Y152 HydrophobicContact CB-CE1 3.31Å; P150-Y152 HydrophobicContact CB-CG 4.49Å; P150-Y152 HydrophobicContact CG-CE1 4.07Å; P150-Y152 PolarHBondContact O-N 3.44Å; Y152-E186 WeakPolarHBondContact OH-CG 3.5Å; Y152-E186 PolarHBondContact OH-OE1 3.4Å
153	I	94.6	Very high	92.9	Very high	6 Å²	6	76.1 Å²	76.1	3%	0.031	38%	0.382	C	S	.	.	H	α-helix	trans	-89.1	-38.3	169.4	-62.8	-61.9	0	0	0	110	P149 P150 V151 E155 Q156 P179 I181	P149-I153 HydrophobicContact CB-CB 4.28Å; P149-I153 HydrophobicContact CB-CG2 4.07Å; P150-I153 HydrophobicContact CB-CG1 4.32Å; P150-I153 HydrophobicContact CG-CG1 4.34Å; P150-I153 WeakPolarHBondContact O-CA 3.44Å; P150-I153 WeakPolarHBondContact O-CB 3.39Å; P150-I153 PolarHBondContact O-N 3.27Å; V151-I153 PolarHBondContact O-N 3.02Å; V151-I153 VanDerWaalsContact O-N 3.13Å; I153-E155 VanDerWaalsContact C-N 3.34Å; I153-Q156 VanDerWaalsContact O-CB 3.23Å; I153-Q156 WeakPolarHBondContact O-CB 3.3Å; I153-Q156 PolarHBondContact O-N 3.08Å; I153-P179 HydrophobicContact CG2-CB 4.11Å; I153-P179 WeakPolarHBondContact O-CG 3.48Å; I153-I181 HydrophobicContact CG2-CD1 3.98Å; I153-I181 HydrophobicContact CG2-CG1 3.86Å
154	Q	91.6	Very high	93.1	Very high	102 Å²	102	74.8 Å²	74.8	48%	0.477	38%	0.375	S	S	.	.	H	α-helix	trans	-63.7	-40.2	174.6	-63.1	177.7	44.4	0	0	112	P149 P150 V151 Q156	P149-Q154 HydrophobicContact CG-CG 3.81Å; P149-Q154 PolarHBondContact O-NE2 3.27Å; P150-Q154 PolarHBondContact O-N 2.93Å; P150-Q154 VanDerWaalsContact O-N 3.12Å; V151-Q154 WeakPolarHBondContact O-CB 3.3Å; V151-Q154 PolarHBondContact O-N 2.62Å; Q154-Q156 PolarHBondContact O-N 2.88Å
155	E	92.9	Very high	93.4	Very high	155 Å²	155	65.9 Å²	65.9	72%	0.724	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	9.8	178.3	-63.1	174.9	165.9	0	0	112.7	V151 I153 S157	V151-E155 HydrophobicContact CG1-CG 4.14Å; V151-E155 WeakPolarHBondContact CG1-OE1 3.47Å; V151-E155 PolarHBondContact O-N 3.03Å; I153-E155 VanDerWaalsContact C-N 3.34Å; E155-S157 PolarHBondContact O-N 3.3Å
156	Q	93.5	Very high	93.2	Very high	18 Å²	18	72 Å²	72	8%	0.084	36%	0.356	C	S	.	.			trans	-67	124.8	176.5	-179.3	163.5	-82.6	0	0	110.2	I153 Q154 K160 S161 P179	I153-Q156 VanDerWaalsContact O-CB 3.23Å; I153-Q156 WeakPolarHBondContact O-CB 3.3Å; I153-Q156 PolarHBondContact O-N 3.08Å; Q154-Q156 PolarHBondContact O-N 2.88Å; Q156-K160 HydrophobicContact CG-CB 4.08Å; Q156-K160 HydrophobicContact CG-CD 4.01Å; Q156-K160 HydrophobicContact CG-CG 4.02Å; Q156-K160 VanDerWaalsContact OE1-CE 3.3Å; Q156-S161 PolarHBondContact NE2-OG 3.4Å; Q156-P179 HydrophobicContact CB-CB 4.33Å
157	S	94.6	Very high	93.1	Very high	63 Å²	63	73.7 Å²	73.7	44%	0.441	36%	0.359	S	S	.	.			trans	-61.8	146.2	175.5	59.9	0	0	0	0	111.7	E155 E159 K160 S161	E155-S157 PolarHBondContact O-N 3.3Å; S157-E159 PolarHBondContact O-N 2.74Å; S157-K160 PolarHBondContact O-N 3.16Å; S157-K160 WeakPolarHBondContact OG-CB 3.47Å; S157-S161 PolarHBondContact O-N 3.26Å
158	E	93.5	Very high	92.7	Very high	99 Å²	99	76 Å²	76	46%	0.463	37%	0.37	S	S	.	.	H	α-helix	trans	-63.5	-33.8	-179.1	-165.8	60	-170.6	0	0	112	K160 S161 E162 R165	E158-K160 VanDerWaalsContact C-N 3.28Å; E158-K160 PolarHBondContact O-N 2.93Å; E158-S161 WeakPolarHBondContact O-CB 3.42Å; E158-S161 PolarHBondContact O-N 3.31Å; E158-S161 VanDerWaalsContact O-N 3.13Å; E158-E162 WeakPolarHBondContact O-CB 3.28Å; E158-E162 PolarHBondContact O-N 3.24Å; E158-R165 IonicContact OE1-CZ 2.69Å; E158-R165 IonicContact OE1-NH1 2.74Å; E158-R165 PolarHBondContact OE1-NH1 3.32Å; E158-R165 IonicContact OE1-NH2 3.2Å
159	E	94.3	Very high	92.3	Very high	167 Å²	167	80.7 Å²	80.7	78%	0.78	38%	0.379	S	S	*	.	H	α-helix	trans	-54.4	-41.9	171.5	-62.1	176.8	164.1	0	0	112.5	S157 E163	S157-E159 PolarHBondContact O-N 2.74Å; E159-E163 WeakPolarHBondContact O-CB 3.23Å; E159-E163 PolarHBondContact O-N 3.44Å
160	K	94.3	Very high	92	Very high	81 Å²	81	79.7 Å²	79.7	35%	0.352	37%	0.372	S	S	.	.	H	α-helix	trans	-76.4	-33.9	178.1	178.1	174.8	168.4	-128.9	0	111.9	Q156 S157 E158 I164	Q156-K160 HydrophobicContact CG-CB 4.08Å; Q156-K160 HydrophobicContact CG-CD 4.01Å; Q156-K160 HydrophobicContact CG-CG 4.02Å; Q156-K160 VanDerWaalsContact OE1-CE 3.3Å; S157-K160 PolarHBondContact O-N 3.16Å; S157-K160 WeakPolarHBondContact OG-CB 3.47Å; E158-K160 VanDerWaalsContact C-N 3.28Å; E158-K160 PolarHBondContact O-N 2.93Å; K160-I164 HydrophobicContact CG-CD1 4.3Å; K160-I164 WeakPolarHBondContact O-CD1 3.35Å; K160-I164 VanDerWaalsContact O-CG1 3.26Å; K160-I164 WeakPolarHBondContact O-CG1 3.24Å; K160-I164 PolarHBondContact O-N 3.34Å; K160-I164 VanDerWaalsContact O-N 3.07Å
161	S	95.4	Very high	91.7	Very high	0 Å²	0	84.4 Å²	84.4	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-62	-45.7	171	-65.5	0	0	0	0	111	Q156 S157 E158 I164 R165	Q156-S161 PolarHBondContact NE2-OG 3.4Å; S157-S161 PolarHBondContact O-N 3.26Å; E158-S161 WeakPolarHBondContact O-CB 3.42Å; E158-S161 PolarHBondContact O-N 3.31Å; E158-S161 VanDerWaalsContact O-N 3.13Å; S161-I164 PolarHBondContact O-N 3.16Å; S161-R165 VanDerWaalsContact O-CG 3.3Å; S161-R165 WeakPolarHBondContact O-CG 3.29Å; S161-R165 PolarHBondContact O-N 2.97Å
162	E	93.4	Very high	91.6	Very high	88 Å²	88	82 Å²	82	41%	0.411	38%	0.381	S	S	.	.	H	α-helix	trans	-65.3	-40.2	175	-78.3	-57.2	125.7	0	0	113.1	E158 I164 R165 K166	E158-E162 WeakPolarHBondContact O-CB 3.28Å; E158-E162 PolarHBondContact O-N 3.24Å; E162-I164 VanDerWaalsContact C-N 3.32Å; E162-I164 PolarHBondContact O-N 3.42Å; E162-R165 PolarHBondContact O-N 2.98Å; E162-R165 VanDerWaalsContact OE1-CD 3.27Å; E162-R165 WeakPolarHBondContact OE1-CD 3.35Å; E162-R165 IonicContact OE1-CZ 2.81Å; E162-R165 IonicContact OE1-NE 2.78Å; E162-R165 IonicContact OE1-NH1 3.6Å; E162-R165 PolarHBondContact OE1-NH1 2.84Å; E162-K166 VanDerWaalsContact O-CB 3.27Å; E162-K166 WeakPolarHBondContact O-CB 3.29Å; E162-K166 PolarHBondContact O-N 2.84Å
163	E	93.1	Very high	91.5	Very high	115 Å²	115	82 Å²	82	54%	0.537	39%	0.386	S	S	.	.	H	α-helix	trans	-58	-45.7	173	-164.2	-153	150.3	0	0	111.2	E159 N167	E159-E163 WeakPolarHBondContact O-CB 3.23Å; E159-E163 PolarHBondContact O-N 3.44Å; E163-N167 VanDerWaalsContact O-CB 3.3Å; E163-N167 WeakPolarHBondContact O-CB 3.33Å; E163-N167 PolarHBondContact O-N 1.86Å; E163-N167 PolarHBondContact O-ND2 3.28Å; E163-N167 VanDerWaalsContact O-ND2 3.13Å
164	I	92.7	Very high	91.3	Very high	6 Å²	6	84 Å²	84	3%	0.031	41%	0.408	C	S	.	.	H	α-helix	trans	-63.7	-47.4	175.9	-67	166.7	0	0	0	110.6	K160 S161 E162 K166 N167 F168 P180 R182	K160-I164 HydrophobicContact CG-CD1 4.3Å; K160-I164 WeakPolarHBondContact O-CD1 3.35Å; K160-I164 VanDerWaalsContact O-CG1 3.26Å; K160-I164 WeakPolarHBondContact O-CG1 3.24Å; K160-I164 PolarHBondContact O-N 3.34Å; K160-I164 VanDerWaalsContact O-N 3.07Å; S161-I164 PolarHBondContact O-N 3.16Å; E162-I164 VanDerWaalsContact C-N 3.32Å; E162-I164 PolarHBondContact O-N 3.42Å; I164-K166 PolarHBondContact O-N 3.21Å; I164-N167 PolarHBondContact O-N 3.44Å; I164-F168 HydrophobicContact CG2-CD2 3.92Å; I164-F168 HydrophobicContact CG2-CE2 4.28Å; I164-F168 WeakPolarHBondContact O-CD2 3.31Å; I164-F168 PolarHBondContact O-N 3.23Å; I164-P180 HydrophobicContact CB-CG 3.96Å; I164-P180 HydrophobicContact CD1-CG 4.5Å; I164-P180 HydrophobicContact CG2-CB 4.03Å; I164-P180 HydrophobicContact CG2-CG 3.7Å; I164-R182 HydrophobicContact CG2-CG 4.06Å
165	R	92.4	Very high	91.2	Very high	1 Å²	1	83.7 Å²	83.7	0%	0.004	41%	0.41	C	S	.	.	H	α-helix	trans	-57.3	-48.2	178.2	-74.7	169.2	-168.3	144.4	2.5	111.2	E158 S161 E162 F168 R169 I170 T172 P180	E158-R165 IonicContact OE1-CZ 2.69Å; E158-R165 IonicContact OE1-NH1 2.74Å; E158-R165 PolarHBondContact OE1-NH1 3.32Å; E158-R165 IonicContact OE1-NH2 3.2Å; S161-R165 VanDerWaalsContact O-CG 3.3Å; S161-R165 WeakPolarHBondContact O-CG 3.29Å; S161-R165 PolarHBondContact O-N 2.97Å; E162-R165 PolarHBondContact O-N 2.98Å; E162-R165 VanDerWaalsContact OE1-CD 3.27Å; E162-R165 WeakPolarHBondContact OE1-CD 3.35Å; E162-R165 IonicContact OE1-CZ 2.81Å; E162-R165 IonicContact OE1-NE 2.78Å; E162-R165 IonicContact OE1-NH1 3.6Å; E162-R165 PolarHBondContact OE1-NH1 2.84Å; R165-F168 CarbonylContact O-C 3.56Å; R165-F168 PolarHBondContact O-N 3.49Å; R165-R169 PolarHBondContact O-N 2.93Å; R165-I170 HydrophobicContact CB-CB 4.24Å; R165-I170 HydrophobicContact CG-CB 4.3Å; R165-I170 PolarHBondContact O-N 2.95Å; R165-T172 WeakPolarHBondContact CD-OG1 3.49Å; R165-P180 HydrophobicContact CG-CG 4.3Å
166	K	88.2	Confident	91	Very high	173 Å²	173	83.3 Å²	83.3	75%	0.752	41%	0.413	S	S	*	.	H	α-helix	trans	-58.8	-48.9	175.5	-175	178.1	-179.5	-179.9	0	112.4	E162 I164 F168 R169	E162-K166 VanDerWaalsContact O-CB 3.27Å; E162-K166 WeakPolarHBondContact O-CB 3.29Å; E162-K166 PolarHBondContact O-N 2.84Å; I164-K166 PolarHBondContact O-N 3.21Å; K166-F168 VanDerWaalsContact C-N 3.27Å; K166-F168 PolarHBondContact O-N 2.95Å; K166-R169 PolarHBondContact O-N 3.47Å
167	N	86.7	Confident	91.1	Very high	108 Å²	108	83.5 Å²	83.5	58%	0.578	42%	0.415	S	S	*	.	H	α-helix	trans	-61.6	-32.8	-179.7	-74.2	-24.6	0	0	0	112.9	E163 I164	E163-N167 VanDerWaalsContact O-CB 3.3Å; E163-N167 WeakPolarHBondContact O-CB 3.33Å; E163-N167 PolarHBondContact O-N 1.86Å; E163-N167 PolarHBondContact O-ND2 3.28Å; E163-N167 VanDerWaalsContact O-ND2 3.13Å; I164-N167 PolarHBondContact O-N 3.44Å
168	F	85.3	Confident	91.1	Very high	81 Å²	81	81.3 Å²	81.3	36%	0.355	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	8.8	178	-70.7	-75.2	0	0	0	114.6	I164 R165 K166 I170 R182 P207 M210	I164-F168 HydrophobicContact CG2-CD2 3.92Å; I164-F168 HydrophobicContact CG2-CE2 4.28Å; I164-F168 WeakPolarHBondContact O-CD2 3.31Å; I164-F168 PolarHBondContact O-N 3.23Å; R165-F168 CarbonylContact O-C 3.56Å; R165-F168 PolarHBondContact O-N 3.49Å; K166-F168 VanDerWaalsContact C-N 3.27Å; K166-F168 PolarHBondContact O-N 2.95Å; F168-I170 VanDerWaalsContact C-N 3.26Å; F168-I170 HydrophobicContact CB-CD1 3.96Å; F168-I170 HydrophobicContact CB-CG1 3.92Å; F168-I170 PolarHBondContact O-N 3.41Å; F168-R182 HydrophobicContact CE2-CG 4.43Å; F168-P207 HydrophobicContact CB-CB 4.18Å; F168-P207 HydrophobicContact CB-CG 4.34Å; F168-P207 HydrophobicContact CD1-CG 4.42Å; F168-M210 HydrophobicContact CD1-CE 3.91Å; F168-M210 HydrophobicContact CD1-SD 4.09Å; F168-M210 HydrophobicContact CD2-CE 4.48Å; F168-M210 HydrophobicContact CD2-SD 3.85Å; F168-M210 HydrophobicContact CE1-CE 3.65Å; F168-M210 HydrophobicContact CE1-SD 4.25Å; F168-M210 HydrophobicContact CE2-CE 4.26Å; F168-M210 HydrophobicContact CE2-SD 4.02Å; F168-M210 HydrophobicContact CG-CE 4.33Å; F168-M210 HydrophobicContact CG-SD 3.9Å; F168-M210 HydrophobicContact CZ-CE 3.84Å; F168-M210 HydrophobicContact CZ-SD 4.22Å
169	R	83.3	Confident	91.2	Very high	187 Å²	187	77.9 Å²	77.9	71%	0.706	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	43.3	-177.7	-53.7	-178.3	-175.7	-174.3	0.6	113.1	R165 K166	R165-R169 PolarHBondContact O-N 2.93Å; K166-R169 PolarHBondContact O-N 3.47Å
170	I	88.7	Confident	91.3	Very high	5 Å²	5	70 Å²	70	3%	0.026	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	124	172.9	-50	174.9	0	0	0	107.1	R165 F168 T172 P207 M210 Q211 V398 V400	R165-I170 HydrophobicContact CB-CB 4.24Å; R165-I170 HydrophobicContact CG-CB 4.3Å; R165-I170 PolarHBondContact O-N 2.95Å; F168-I170 VanDerWaalsContact C-N 3.26Å; F168-I170 HydrophobicContact CB-CD1 3.96Å; F168-I170 HydrophobicContact CB-CG1 3.92Å; F168-I170 PolarHBondContact O-N 3.41Å; I170-T172 HydrophobicContact CG2-CG2 4.05Å; I170-P207 HydrophobicContact CD1-CB 3.96Å; I170-P207 WeakPolarHBondContact CD1-O 3.35Å; I170-P207 HydrophobicContact CG1-CB 3.76Å; I170-M210 HydrophobicContact CD1-CB 4.29Å; I170-Q211 HydrophobicContact CD1-CB 4.18Å; I170-Q211 HydrophobicContact CG2-CB 3.92Å; I170-Q211 HydrophobicContact CG2-CG 4.06Å; I170-V398 HydrophobicContact CG2-CG1 3.86Å; I170-V400 HydrophobicContact CB-CG2 4.43Å; I170-V400 HydrophobicContact CG1-CG2 4.17Å; I170-V400 HydrophobicContact CG2-CG2 4.08Å
171	L	89.3	Confident	91.4	Very high	108 Å²	108	66.1 Å²	66.1	57%	0.565	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.5	134.6	169	-58.4	173.3	0	0	0	108.3	N399	L171-N399 HydrophobicContact CB-CB 4.27Å; L171-N399 PolarHBondContact N-O 3.12Å; L171-N399 PolarHBondContact O-N 3.2Å
172	T	92.4	Very high	91.4	Very high	32 Å²	32	71 Å²	71	20%	0.196	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	141	-178.8	49.9	0	0	0	0	112.2	R165 I170 V177 Q211 T397 V398	R165-T172 WeakPolarHBondContact CD-OG1 3.49Å; I170-T172 HydrophobicContact CG2-CG2 4.05Å; T172-V177 HydrophobicContact CG2-CG1 4.02Å; T172-Q211 HydrophobicContact CG2-CG 3.57Å; T172-T397 VanDerWaalsContact CA-O 3.27Å; T172-T397 WeakPolarHBondContact CA-O 3.22Å; T172-V398 HydrophobicContact CG2-CG2 4.49Å
173	E	91.5	Very high	91.5	Very high	128 Å²	128	70.4 Å²	70.4	60%	0.598	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.6	154.6	175.2	-45.7	172.1	155.8	0	0	110.3	V396 T397	E173-V396 WeakPolarHBondContact O-CA 3.2Å; E173-T397 PolarHBondContact N-O 3.04Å; E173-T397 PolarHBondContact O-N 3.34Å; E173-T397 PolarHBondContact OE2-OG1 2.74Å
174	G	89.3	Confident	91.5	Very high	47 Å²	47	65.4 Å²	65.4	49%	0.485	32%	0.324	S	S	.	.	S	Bend	trans	109.2	168.2	178.8	0	0	0	0	0	113.5	V177	G174-V177 WeakPolarHBondContact O-CG2 3.36Å
175	D	89.6	Confident	91.5	Very high	96 Å²	96	69.1 Å²	69.1	51%	0.513	35%	0.35	S	S	.	.	S	Bend	trans	-73.6	148.6	-177.3	-49.5	-40.5	0	0	0	111.5	V177 R220	D175-V177 PolarHBondContact O-N 3.43Å; D175-R220 VanDerWaalsContact O-CZ 3.24Å; D175-R220 PolarHBondContact O-NH1 2.97Å; D175-R220 PolarHBondContact O-NH2 2.78Å
176	D	90	Very high	91.6	Very high	147 Å²	147	70.6 Å²	70.6	79%	0.786	36%	0.357	S	S	*	.	S	Bend	trans	48	48.4	170	-56.8	-37.6	0	0	0	114.7	P178 R220	D176-P178 VanDerWaalsContact O-CD 3.28Å; D176-P178 WeakPolarHBondContact O-CD 3.2Å; D176-R220 PolarHBondContact O-NH1 2.89Å
177	V	94.1	Very high	92	Very high	22 Å²	22	62.3 Å²	62.3	13%	0.133	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-62.2	118.8	-179	-176.8	0	0	0	0	110.6	T172 G174 D175 V396	T172-V177 HydrophobicContact CG2-CG1 4.02Å; G174-V177 WeakPolarHBondContact O-CG2 3.36Å; D175-V177 PolarHBondContact O-N 3.43Å; V177-V396 HydrophobicContact CG1-CG1 3.91Å; V177-V396 HydrophobicContact CG2-CG1 4.21Å
178	P	95.1	Very high	92.3	Very high	17 Å²	17	65.2 Å²	65.2	11%	0.11	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-61.6	148.4	-179.3	-29.1	40.1	0	0	0	113	D176 Q211 P214 R220	D176-P178 VanDerWaalsContact O-CD 3.28Å; D176-P178 WeakPolarHBondContact O-CD 3.2Å; P178-Q211 PolarHBondContact O-NE2 3.07Å; P178-Q211 PolarHBondContact O-OE1 2.86Å; P178-P214 HydrophobicContact CB-CB 4.16Å; P178-R220 HydrophobicContact CG-CG 4.5Å
179	P	96.4	Very high	92.8	Very high	26 Å²	26	62 Å²	62	17%	0.169	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-60.2	139	179.7	-28.2	37.5	0	0	0	113.2	I153 Q156	I153-P179 HydrophobicContact CG2-CB 4.11Å; I153-P179 WeakPolarHBondContact O-CG 3.48Å; Q156-P179 HydrophobicContact CB-CB 4.33Å
180	P	96.5	Very high	93.3	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.006	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-70.1	136.1	178.7	29.2	-35.8	0	0	0	111.5	I164 R165 M210	I164-P180 HydrophobicContact CB-CG 3.96Å; I164-P180 HydrophobicContact CD1-CG 4.5Å; I164-P180 HydrophobicContact CG2-CB 4.03Å; I164-P180 HydrophobicContact CG2-CG 3.7Å; R165-P180 HydrophobicContact CG-CG 4.3Å; P180-M210 WeakPolarHBondContact CA-O 3.43Å
181	I	96.7	Very high	93.5	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.005	32%	0.319	C	S	.	.			trans	-109.7	122.9	-178.4	-61.4	-176.6	0	0	0	110.6	W147 P149 I153 H183 E186 M187 M210 P214	W147-I181 HydrophobicContact CH2-CD1 4.06Å; W147-I181 HydrophobicContact CZ2-CD1 4.17Å; P149-I181 HydrophobicContact CB-CD1 4.29Å; I153-I181 HydrophobicContact CG2-CD1 3.98Å; I153-I181 HydrophobicContact CG2-CG1 3.86Å; I181-H183 WeakPolarHBondContact CG2-O 3.43Å; I181-E186 HydrophobicContact CG2-CB 3.55Å; I181-M187 HydrophobicContact CB-CE 3.93Å; I181-M187 HydrophobicContact CB-CG 4.11Å; I181-M187 HydrophobicContact CD1-CG 4.2Å; I181-M187 HydrophobicContact CG2-CE 4Å; I181-M187 HydrophobicContact CG2-CG 3.58Å; I181-M187 WeakPolarHBondContact O-CE 3.3Å; I181-M210 PolarHBondContact N-O 3.37Å; I181-M210 VanDerWaalsContact O-CA 3.31Å; I181-M210 WeakPolarHBondContact O-CA 3.2Å; I181-M210 WeakPolarHBondContact O-CB 3.4Å; I181-M210 WeakPolarHBondContact O-CG 3.4Å; I181-P214 HydrophobicContact CB-CG 3.98Å; I181-P214 HydrophobicContact CD1-CB 4.39Å; I181-P214 HydrophobicContact CD1-CG 3.83Å; I181-P214 HydrophobicContact CG1-CB 4.5Å; I181-P214 HydrophobicContact CG1-CG 3.68Å
182	R	94.3	Very high	93.8	Very high	103 Å²	103	58 Å²	58	39%	0.389	30%	0.301	S	S	.	.	S	Bend	trans	-88.6	-16.1	-171.1	-62.5	-176.2	-59.8	177	3.7	114.3	I164 F168 P205 M210	I164-R182 HydrophobicContact CG2-CG 4.06Å; F168-R182 HydrophobicContact CE2-CG 4.43Å; R182-P205 VanDerWaalsContact O-CD 3.23Å; R182-P205 WeakPolarHBondContact O-CD 3.47Å; R182-P205 WeakPolarHBondContact O-CG 3.43Å; R182-M210 HydrophobicContact CG-SD 4.37Å
183	H	94.9	Very high	93.9	Very high	75 Å²	75	56.7 Å²	56.7	35%	0.347	29%	0.293	S	S	.	.			trans	-135.2	136.3	-179.9	-53.1	-70.6	0	0	0	112.5	I181 S185 E186	I181-H183 WeakPolarHBondContact CG2-O 3.43Å; H183-S185 PolarHBondContact O-N 3.14Å; H183-S185 VanDerWaalsContact O-N 3.12Å; H183-E186 HydrophobicContact CB-CG 4.07Å; H183-E186 IonicContact CD2-OE2 2.67Å; H183-E186 PolarHBondContact CD2-OE2 2.96Å; H183-E186 IonicContact CG-OE2 3.05Å; H183-E186 PolarHBondContact N-OE2 3.29Å; H183-E186 VanDerWaalsContact N-OE2 3.12Å; H183-E186 WeakPolarHBondContact O-CB 3.18Å; H183-E186 PolarHBondContact O-N 2.97Å
184	F	95	Very high	94.1	Very high	9 Å²	9	51.9 Å²	51.9	4%	0.039	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-27.6	178.5	-63.9	-63.5	0	0	0	114	E186 M187 F189 I194 L197 I202 P205 L213	F184-E186 PolarHBondContact O-N 3.44Å; F184-M187 HydrophobicContact CD1-CE 4.43Å; F184-M187 HydrophobicContact CD1-SD 3.74Å; F184-M187 HydrophobicContact CE1-SD 4.39Å; F184-M187 PolarHBondContact O-N 2.92Å; F184-F189 HydrophobicContact CB-CD2 4.36Å; F184-F189 HydrophobicContact CD1-CD2 4.31Å; F184-F189 AromaticContact CD1-CE2 3.92Å; F184-F189 HydrophobicContact CD1-CE2 3.92Å; F184-I194 HydrophobicContact CB-CG1 4.46Å; F184-L197 HydrophobicContact CD1-CD1 4.11Å; F184-L197 HydrophobicContact CD2-CD1 4.21Å; F184-L197 HydrophobicContact CE1-CD1 4.17Å; F184-L197 HydrophobicContact CE2-CD1 4.27Å; F184-L197 HydrophobicContact CG-CD1 4.12Å; F184-L197 HydrophobicContact CZ-CD1 4.23Å; F184-I202 HydrophobicContact CE2-CG2 3.83Å; F184-I202 HydrophobicContact CZ-CG2 3.89Å; F184-P205 HydrophobicContact CD1-CB 4.36Å; F184-P205 HydrophobicContact CE1-CB 3.79Å; F184-P205 HydrophobicContact CE2-CB 4.39Å; F184-P205 VanDerWaalsContact CE2-N 3.33Å; F184-P205 VanDerWaalsContact CZ-CA 3.42Å; F184-P205 HydrophobicContact CZ-CB 3.82Å; F184-L213 HydrophobicContact CD1-CD1 4.47Å; F184-L213 HydrophobicContact CE1-CD1 4.02Å
185	S	92.8	Very high	94.4	Very high	85 Å²	85	52.7 Å²	52.7	59%	0.594	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-27.1	173.9	47.1	0	0	0	0	113.6	H183	H183-S185 PolarHBondContact O-N 3.14Å; H183-S185 VanDerWaalsContact O-N 3.12Å
186	E	94.5	Very high	94.6	Very high	31 Å²	31	49.2 Å²	49.2	15%	0.145	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-19.4	178.6	-54.2	175.6	124.7	0	0	111.2	P150 Y152 I181 H183 F184 R188	P150-E186 WeakPolarHBondContact CD-O 3.49Å; P150-E186 WeakPolarHBondContact CG-O 3.35Å; Y152-E186 WeakPolarHBondContact OH-CG 3.5Å; Y152-E186 PolarHBondContact OH-OE1 3.4Å; I181-E186 HydrophobicContact CG2-CB 3.55Å; H183-E186 HydrophobicContact CB-CG 4.07Å; H183-E186 IonicContact CD2-OE2 2.67Å; H183-E186 PolarHBondContact CD2-OE2 2.96Å; H183-E186 IonicContact CG-OE2 3.05Å; H183-E186 PolarHBondContact N-OE2 3.29Å; H183-E186 VanDerWaalsContact N-OE2 3.12Å; H183-E186 WeakPolarHBondContact O-CB 3.18Å; H183-E186 PolarHBondContact O-N 2.97Å; F184-E186 PolarHBondContact O-N 3.44Å; E186-R188 PolarHBondContact O-N 3.07Å; E186-R188 VanDerWaalsContact O-N 3.11Å
187	M	95.7	Very high	94.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	9.2	179.4	-59.4	179.3	174.6	0	0	114	W147 I181 F184 F189 P205 L213	W147-M187 PolarHBondContact NE1-O 3.09Å; I181-M187 HydrophobicContact CB-CE 3.93Å; I181-M187 HydrophobicContact CB-CG 4.11Å; I181-M187 HydrophobicContact CD1-CG 4.2Å; I181-M187 HydrophobicContact CG2-CE 4Å; I181-M187 HydrophobicContact CG2-CG 3.58Å; I181-M187 WeakPolarHBondContact O-CE 3.3Å; F184-M187 HydrophobicContact CD1-CE 4.43Å; F184-M187 HydrophobicContact CD1-SD 3.74Å; F184-M187 HydrophobicContact CE1-SD 4.39Å; F184-M187 PolarHBondContact O-N 2.92Å; M187-F189 HydrophobicContact CB-CD1 4.08Å; M187-F189 HydrophobicContact CB-CD2 4.07Å; M187-F189 HydrophobicContact CB-CE1 3.93Å; M187-F189 HydrophobicContact CB-CE2 3.92Å; M187-F189 HydrophobicContact CB-CG 4.15Å; M187-F189 HydrophobicContact CB-CZ 3.84Å; M187-F189 HydrophobicContact CG-CE2 4.43Å; M187-F189 HydrophobicContact CG-CZ 4.45Å; M187-F189 WeakPolarHBondContact O-CD1 3.3Å; M187-F189 PolarHBondContact O-N 3.39Å; M187-F189 VanDerWaalsContact O-N 3.14Å; M187-F189 HydrophobicContact SD-CE2 3.67Å; M187-F189 HydrophobicContact SD-CZ 3.82Å; M187-P205 HydrophobicContact CE-CB 4.14Å; M187-P205 HydrophobicContact CE-CG 4.21Å; M187-L213 HydrophobicContact CE-CB 4.15Å; M187-L213 HydrophobicContact CE-CD1 4.02Å; M187-L213 HydrophobicContact SD-CB 4Å; M187-L213 HydrophobicContact SD-CD1 3.62Å; M187-L213 HydrophobicContact SD-CG 4.46Å
188	R	93.7	Very high	94.7	Very high	168 Å²	168	46.4 Å²	46.4	63%	0.634	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	24.5	-177.8	-65.5	-69.9	-164.8	168.9	2.6	114.7	P150 E186	P150-R188 HydrophobicContact CG-CG 4.46Å; E186-R188 PolarHBondContact O-N 3.07Å; E186-R188 VanDerWaalsContact O-N 3.11Å
189	F	95	Very high	94.5	Very high	13 Å²	13	52.7 Å²	52.7	6%	0.057	26%	0.256	C	S	.	.			trans	-68.4	150.8	178	-68.6	-18.5	0	0	0	113	F184 M187 K191 L193 I194 L213 L217 I238 L242	F184-F189 HydrophobicContact CB-CD2 4.36Å; F184-F189 HydrophobicContact CD1-CD2 4.31Å; F184-F189 AromaticContact CD1-CE2 3.92Å; F184-F189 HydrophobicContact CD1-CE2 3.92Å; M187-F189 HydrophobicContact CB-CD1 4.08Å; M187-F189 HydrophobicContact CB-CD2 4.07Å; M187-F189 HydrophobicContact CB-CE1 3.93Å; M187-F189 HydrophobicContact CB-CE2 3.92Å; M187-F189 HydrophobicContact CB-CG 4.15Å; M187-F189 HydrophobicContact CB-CZ 3.84Å; M187-F189 HydrophobicContact CG-CE2 4.43Å; M187-F189 HydrophobicContact CG-CZ 4.45Å; M187-F189 WeakPolarHBondContact O-CD1 3.3Å; M187-F189 PolarHBondContact O-N 3.39Å; M187-F189 VanDerWaalsContact O-N 3.14Å; M187-F189 HydrophobicContact SD-CE2 3.67Å; M187-F189 HydrophobicContact SD-CZ 3.82Å; F189-K191 PolarHBondContact O-N 2.82Å; F189-L193 HydrophobicContact CB-CD2 4.14Å; F189-L193 HydrophobicContact CD1-CD2 4.42Å; F189-L193 HydrophobicContact CD2-CD2 3.98Å; F189-L193 HydrophobicContact CE2-CD2 4.49Å; F189-L193 HydrophobicContact CG-CD2 3.95Å; F189-I194 HydrophobicContact CB-CD1 4.31Å; F189-I194 HydrophobicContact CB-CG1 4.06Å; F189-L213 HydrophobicContact CE2-CD1 4.24Å; F189-L213 HydrophobicContact CZ-CD1 4.15Å; F189-L213 HydrophobicContact CZ-CD2 4.3Å; F189-L217 HydrophobicContact CE1-CD1 3.57Å; F189-L217 HydrophobicContact CE1-CD2 4.16Å; F189-L217 HydrophobicContact CZ-CD1 3.91Å; F189-I238 HydrophobicContact CE1-CG2 3.88Å; F189-I238 HydrophobicContact CE2-CD1 4.43Å; F189-I238 HydrophobicContact CE2-CG2 4.02Å; F189-I238 HydrophobicContact CZ-CG2 3.6Å; F189-L242 HydrophobicContact CD1-CD1 3.69Å; F189-L242 HydrophobicContact CE1-CD1 3.74Å
190	P	93.5	Very high	94.1	Very high	36 Å²	36	55.2 Å²	55.2	23%	0.234	26%	0.262	C	S	.	.			trans	-55	139.3	169.9	-23.8	33.7	0	0	0	111.3	A192 L193 I194 L242 F290	P190-A192 PolarHBondContact O-N 2.87Å; P190-A192 VanDerWaalsContact O-N 3.16Å; P190-L193 WeakPolarHBondContact O-CB 3.21Å; P190-L193 PolarHBondContact O-N 3.1Å; P190-I194 PolarHBondContact O-N 2.84Å; P190-L242 HydrophobicContact CG-CD2 3.96Å; P190-F290 HydrophobicContact CB-CE1 4.03Å; P190-F290 HydrophobicContact CB-CE2 4.38Å; P190-F290 HydrophobicContact CB-CZ 3.62Å; P190-F290 HydrophobicContact CG-CE1 4.07Å; P190-F290 HydrophobicContact CG-CZ 4.18Å
191	K	93.8	Very high	93.6	Very high	159 Å²	159	57.9 Å²	57.9	69%	0.691	29%	0.29	S	S	*	.	H	α-helix	trans	-53.8	-39.4	179.1	-174	-175.7	173.4	-171.5	0	112.1	F189 L193 I194 D195	F189-K191 PolarHBondContact O-N 2.82Å; K191-L193 VanDerWaalsContact C-N 3.3Å; K191-L193 PolarHBondContact O-N 2.98Å; K191-I194 PolarHBondContact O-N 2.86Å; K191-I194 VanDerWaalsContact O-N 3.13Å; K191-D195 WeakPolarHBondContact CE-OD2 3.31Å; K191-D195 WeakPolarHBondContact CG-OD2 3.09Å; K191-D195 PolarHBondContact O-N 3.26Å
192	A	94.5	Very high	93.3	Very high	23 Å²	23	59.8 Å²	59.8	19%	0.19	30%	0.3	C	S	.	.	H	α-helix	trans	-56.5	-39	175.1	0	0	0	0	0	113.5	P190 L196 L285 A288 F290	P190-A192 PolarHBondContact O-N 2.87Å; P190-A192 VanDerWaalsContact O-N 3.16Å; A192-L196 WeakPolarHBondContact O-CB 3.42Å; A192-L196 PolarHBondContact O-N 3.27Å; A192-L285 HydrophobicContact CB-CD2 4Å; A192-A288 HydrophobicContact CB-CB 3.44Å; A192-A288 VanDerWaalsContact CB-CB 3.44Å; A192-F290 HydrophobicContact CB-CD2 4.38Å; A192-F290 HydrophobicContact CB-CE2 3.8Å
193	L	95.5	Very high	93	Very high	4 Å²	4	59.7 Å²	59.7	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-68.3	-42.8	175.8	-177.3	57.4	0	0	0	111.1	F189 P190 K191 D195 L196 L197 I238 L242 L281 L285	F189-L193 HydrophobicContact CB-CD2 4.14Å; F189-L193 HydrophobicContact CD1-CD2 4.42Å; F189-L193 HydrophobicContact CD2-CD2 3.98Å; F189-L193 HydrophobicContact CE2-CD2 4.49Å; F189-L193 HydrophobicContact CG-CD2 3.95Å; P190-L193 WeakPolarHBondContact O-CB 3.21Å; P190-L193 PolarHBondContact O-N 3.1Å; K191-L193 VanDerWaalsContact C-N 3.3Å; K191-L193 PolarHBondContact O-N 2.98Å; L193-D195 VanDerWaalsContact C-N 3.35Å; L193-D195 PolarHBondContact O-N 2.75Å; L193-L196 PolarHBondContact O-N 3.39Å; L193-L197 HydrophobicContact CD1-CG 4.41Å; L193-L197 HydrophobicContact CG-CD1 4.28Å; L193-L197 VanDerWaalsContact O-CG 3.3Å; L193-L197 WeakPolarHBondContact O-CG 3.09Å; L193-L197 PolarHBondContact O-N 2.84Å; L193-I238 HydrophobicContact CD2-CG1 4.45Å; L193-I238 HydrophobicContact CD2-CG2 3.66Å; L193-L242 HydrophobicContact CD2-CD1 4.36Å; L193-L242 HydrophobicContact CD2-CD2 4.43Å; L193-L281 HydrophobicContact CD1-CD2 4.35Å; L193-L285 HydrophobicContact CB-CD2 4.02Å
194	I	95.3	Very high	92.8	Very high	27 Å²	27	62.7 Å²	62.7	14%	0.138	32%	0.323	C	S	.	.	H	α-helix	trans	-62.9	-43.4	178.9	-62.7	169.8	0	0	0	110.6	F184 F189 P190 K191 L197 K198	F184-I194 HydrophobicContact CB-CG1 4.46Å; F189-I194 HydrophobicContact CB-CD1 4.31Å; F189-I194 HydrophobicContact CB-CG1 4.06Å; P190-I194 PolarHBondContact O-N 2.84Å; K191-I194 PolarHBondContact O-N 2.86Å; K191-I194 VanDerWaalsContact O-N 3.13Å; I194-L197 PolarHBondContact O-N 3.38Å; I194-K198 WeakPolarHBondContact O-CG 3.1Å; I194-K198 PolarHBondContact O-N 3.28Å; I194-K198 VanDerWaalsContact O-N 3.07Å
195	D	94.7	Very high	92.7	Very high	64 Å²	64	62.5 Å²	62.5	34%	0.342	32%	0.323	S	S	.	.	H	α-helix	trans	-72.3	-32.9	179.3	-66.2	-24.1	0	0	0	111.7	K191 L193 K198 L199	K191-D195 WeakPolarHBondContact CE-OD2 3.31Å; K191-D195 WeakPolarHBondContact CG-OD2 3.09Å; K191-D195 PolarHBondContact O-N 3.26Å; L193-D195 VanDerWaalsContact C-N 3.35Å; L193-D195 PolarHBondContact O-N 2.75Å; D195-K198 PolarHBondContact O-N 2.82Å; D195-K198 IonicContact OD1-NZ 3.88Å; D195-K198 PolarHBondContact OD1-NZ 2.68Å; D195-L199 WeakPolarHBondContact O-CB 3.15Å; D195-L199 PolarHBondContact O-N 3.25Å
196	L	94	Very high	92.7	Very high	23 Å²	23	60.5 Å²	60.5	12%	0.12	31%	0.307	C	S	.	.	H	α-helix	trans	-65.1	-39.6	170.2	-178.4	62.6	0	0	0	112.8	A192 L193 L199 R200 L281	A192-L196 WeakPolarHBondContact O-CB 3.42Å; A192-L196 PolarHBondContact O-N 3.27Å; L193-L196 PolarHBondContact O-N 3.39Å; L196-L199 PolarHBondContact O-N 2.83Å; L196-R200 PolarHBondContact O-N 2.79Å; L196-L281 HydrophobicContact CD2-CD2 3.97Å
197	L	93.9	Very high	92.5	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-64.4	-44.6	174.8	-73.2	171.3	0	0	0	111.1	F184 L193 I194 L199 R200 G201 I202 M234 I238	F184-L197 HydrophobicContact CD1-CD1 4.11Å; F184-L197 HydrophobicContact CD2-CD1 4.21Å; F184-L197 HydrophobicContact CE1-CD1 4.17Å; F184-L197 HydrophobicContact CE2-CD1 4.27Å; F184-L197 HydrophobicContact CG-CD1 4.12Å; F184-L197 HydrophobicContact CZ-CD1 4.23Å; L193-L197 HydrophobicContact CD1-CG 4.41Å; L193-L197 HydrophobicContact CG-CD1 4.28Å; L193-L197 VanDerWaalsContact O-CG 3.3Å; L193-L197 WeakPolarHBondContact O-CG 3.09Å; L193-L197 PolarHBondContact O-N 2.84Å; I194-L197 PolarHBondContact O-N 3.38Å; L197-L199 VanDerWaalsContact C-N 3.34Å; L197-L199 PolarHBondContact O-N 3.31Å; L197-R200 CarbonylContact O-C 3.58Å; L197-R200 PolarHBondContact O-N 2.8Å; L197-R200 VanDerWaalsContact O-N 3.1Å; L197-G201 PolarHBondContact O-N 3Å; L197-I202 CarbonylContact C-O 3.57Å; L197-I202 HydrophobicContact CB-CB 4.31Å; L197-I202 HydrophobicContact CD2-CB 4.39Å; L197-I202 HydrophobicContact CD2-CD1 4.11Å; L197-I202 WeakPolarHBondContact O-CA 3.42Å; L197-I202 WeakPolarHBondContact O-CB 3.3Å; L197-I202 PolarHBondContact O-N 3.41Å; L197-M234 HydrophobicContact CD2-SD 4.47Å; L197-I238 HydrophobicContact CD1-CD1 4.25Å; L197-I238 HydrophobicContact CD2-CD1 4.37Å
198	K	93.2	Very high	92.3	Very high	109 Å²	109	60.7 Å²	60.7	47%	0.474	31%	0.311	S	S	.	.	H	α-helix	trans	-60.1	-40.6	173.8	-69	171.5	-165.9	156.1	0	112.7	I194 D195 R200 G201	I194-K198 WeakPolarHBondContact O-CG 3.1Å; I194-K198 PolarHBondContact O-N 3.28Å; I194-K198 VanDerWaalsContact O-N 3.07Å; D195-K198 PolarHBondContact O-N 2.82Å; D195-K198 IonicContact OD1-NZ 3.88Å; D195-K198 PolarHBondContact OD1-NZ 2.68Å; K198-R200 PolarHBondContact O-N 2.99Å; K198-G201 WeakPolarHBondContact O-CA 3.41Å; K198-G201 PolarHBondContact O-N 3.39Å
199	L	90.4	Very high	92.4	Very high	148 Å²	148	52.9 Å²	52.9	78%	0.775	28%	0.281	S	S	*	.	H	α-helix	trans	-61.1	-28.5	176.5	-177.4	63.1	0	0	0	112.2	D195 L196 L197 G201	D195-L199 WeakPolarHBondContact O-CB 3.15Å; D195-L199 PolarHBondContact O-N 3.25Å; L196-L199 PolarHBondContact O-N 2.83Å; L197-L199 VanDerWaalsContact C-N 3.34Å; L197-L199 PolarHBondContact O-N 3.31Å; L199-G201 VanDerWaalsContact C-N 3.3Å
200	R	88.3	Confident	92.5	Very high	80 Å²	80	52.8 Å²	52.8	30%	0.302	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	12.1	171.8	-62.5	-173.3	-175.6	-168.3	9.6	113.9	L196 L197 K198 I202 S280 L281	L196-R200 PolarHBondContact O-N 2.79Å; L197-R200 CarbonylContact O-C 3.58Å; L197-R200 PolarHBondContact O-N 2.8Å; L197-R200 VanDerWaalsContact O-N 3.1Å; K198-R200 PolarHBondContact O-N 2.99Å; R200-I202 HydrophobicContact CB-CD1 4.36Å; R200-I202 HydrophobicContact CB-CG1 4.19Å; R200-I202 PolarHBondContact O-N 2.8Å; R200-S280 VanDerWaalsContact NH2-CB 3.25Å; R200-S280 PolarHBondContact NH2-O 3.25Å; R200-S280 VanDerWaalsContact NH2-O 3.11Å; R200-S280 PolarHBondContact NH2-OG 3.37Å; R200-L281 VanDerWaalsContact NH2-N 3.15Å
201	G	87	Confident	92.6	Very high	57 Å²	57	51 Å²	51	59%	0.588	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	-2.3	-176.1	0	0	0	0	0	115.3	L197 K198 L199 T203	L197-G201 PolarHBondContact O-N 3Å; K198-G201 WeakPolarHBondContact O-CA 3.41Å; K198-G201 PolarHBondContact O-N 3.39Å; L199-G201 VanDerWaalsContact C-N 3.3Å; G201-T203 PolarHBondContact O-N 3.35Å
202	I	89.6	Confident	92.8	Very high	41 Å²	41	43.5 Å²	43.5	21%	0.21	24%	0.237	C	C	.	.			trans	-84.9	81.1	-175.5	-45.9	179.6	0	0	0	109.4	F184 L197 R200 M234	F184-I202 HydrophobicContact CE2-CG2 3.83Å; F184-I202 HydrophobicContact CZ-CG2 3.89Å; L197-I202 CarbonylContact C-O 3.57Å; L197-I202 HydrophobicContact CB-CB 4.31Å; L197-I202 HydrophobicContact CD2-CB 4.39Å; L197-I202 HydrophobicContact CD2-CD1 4.11Å; L197-I202 WeakPolarHBondContact O-CA 3.42Å; L197-I202 WeakPolarHBondContact O-CB 3.3Å; L197-I202 PolarHBondContact O-N 3.41Å; R200-I202 HydrophobicContact CB-CD1 4.36Å; R200-I202 HydrophobicContact CB-CG1 4.19Å; R200-I202 PolarHBondContact O-N 2.8Å; I202-M234 HydrophobicContact CD1-CE 3.91Å
203	T	88.2	Confident	92.9	Very high	101 Å²	101	42.4 Å²	42.4	62%	0.62	23%	0.228	S	C	*	.			trans	-84.6	-27.4	-175.6	58.8	0	0	0	0	114.3	G201	G201-T203 PolarHBondContact O-N 3.35Å
204	K	90.6	Very high	93	Very high	138 Å²	138	42.3 Å²	42.3	60%	0.6	23%	0.228	S	C	*	.	S	Bend	trans	-134.6	148.5	178.6	-65.8	179.2	-176.8	174	0	109.9
205	P	93.5	Very high	93.1	Very high	5 Å²	5	41 Å²	41	3%	0.032	22%	0.221	C	C	.	.			trans	-63.3	142.1	172.7	25.8	-33.8	0	0	0	111.4	R182 F184 M187 Q209 M210	R182-P205 VanDerWaalsContact O-CD 3.23Å; R182-P205 WeakPolarHBondContact O-CD 3.47Å; R182-P205 WeakPolarHBondContact O-CG 3.43Å; F184-P205 HydrophobicContact CD1-CB 4.36Å; F184-P205 HydrophobicContact CE1-CB 3.79Å; F184-P205 HydrophobicContact CE2-CB 4.39Å; F184-P205 VanDerWaalsContact CE2-N 3.33Å; F184-P205 VanDerWaalsContact CZ-CA 3.42Å; F184-P205 HydrophobicContact CZ-CB 3.82Å; M187-P205 HydrophobicContact CE-CB 4.14Å; M187-P205 HydrophobicContact CE-CG 4.21Å; P205-Q209 HydrophobicContact CB-CB 3.78Å; P205-M210 HydrophobicContact CB-CG 3.92Å; P205-M210 HydrophobicContact CG-CE 4.33Å; P205-M210 HydrophobicContact CG-CG 3.74Å; P205-M210 WeakPolarHBondContact O-CE 3.33Å
206	T	91.4	Very high	93.2	Very high	42 Å²	42	38 Å²	38	26%	0.258	21%	0.205	S	C	.	.			trans	-70.7	162.3	165.1	66.1	0	0	0	0	110.1	I208 Q209 M210 S230	T206-I208 VanDerWaalsContact C-N 3.27Å; T206-I208 PolarHBondContact O-N 2.9Å; T206-I208 WeakPolarHBondContact OG1-CG2 3.41Å; T206-Q209 CarbonylContact O-C 3.52Å; T206-Q209 WeakPolarHBondContact O-CA 3.35Å; T206-Q209 WeakPolarHBondContact O-CB 3.41Å; T206-Q209 PolarHBondContact O-N 3.36Å; T206-Q209 VanDerWaalsContact OG1-CD 3.24Å; T206-Q209 WeakPolarHBondContact OG1-CG 3.41Å; T206-M210 WeakPolarHBondContact O-CG 3.48Å; T206-M210 PolarHBondContact O-N 2.81Å; T206-S230 VanDerWaalsContact CB-O 3.23Å; T206-S230 WeakPolarHBondContact CB-O 3.34Å; T206-S230 WeakPolarHBondContact CG2-O 3.43Å; T206-S230 PolarHBondContact OG1-O 3.16Å
207	P	90.8	Very high	93.4	Very high	36 Å²	36	37 Å²	37	23%	0.234	20%	0.199	C	C	.	.	H	α-helix	trans	-59.3	-35.1	-175.1	-23.9	33.5	0	0	0	113.7	F168 I170 Q209 M210 Q211 V400	F168-P207 HydrophobicContact CB-CB 4.18Å; F168-P207 HydrophobicContact CB-CG 4.34Å; F168-P207 HydrophobicContact CD1-CG 4.42Å; I170-P207 HydrophobicContact CD1-CB 3.96Å; I170-P207 WeakPolarHBondContact CD1-O 3.35Å; I170-P207 HydrophobicContact CG1-CB 3.76Å; P207-Q209 VanDerWaalsContact C-N 3.27Å; P207-Q209 PolarHBondContact O-N 2.7Å; P207-M210 PolarHBondContact O-N 3.45Å; P207-Q211 PolarHBondContact O-N 2.87Å; P207-V400 HydrophobicContact CB-CG1 3.73Å; P207-V400 HydrophobicContact CB-CG2 4.2Å; P207-V400 HydrophobicContact CG-CG1 4.31Å
208	I	92.5	Very high	93.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-68	-28.1	174.7	-168.7	61.6	0	0	0	112	T206 G212 M222 A226 S230 V235 V398 V400	T206-I208 VanDerWaalsContact C-N 3.27Å; T206-I208 PolarHBondContact O-N 2.9Å; T206-I208 WeakPolarHBondContact OG1-CG2 3.41Å; I208-G212 WeakPolarHBondContact O-CA 3.31Å; I208-G212 PolarHBondContact O-N 3.17Å; I208-M222 HydrophobicContact CD1-CE 3.84Å; I208-A226 HydrophobicContact CB-CB 4.4Å; I208-A226 HydrophobicContact CD1-CB 4.4Å; I208-A226 HydrophobicContact CG1-CB 4.12Å; I208-S230 WeakPolarHBondContact CG2-O 3.29Å; I208-V235 HydrophobicContact CG1-CG2 4.38Å; I208-V235 HydrophobicContact CG2-CG2 4.35Å; I208-V398 HydrophobicContact CD1-CB 4.1Å; I208-V398 HydrophobicContact CD1-CG1 3.73Å; I208-V400 HydrophobicContact CB-CB 4.14Å; I208-V400 HydrophobicContact CB-CG1 4.32Å; I208-V400 HydrophobicContact CB-CG2 3.96Å; I208-V400 HydrophobicContact CD1-CB 4.4Å; I208-V400 HydrophobicContact CD1-CG2 3.99Å
209	Q	95.5	Very high	93.5	Very high	3 Å²	3	33.5 Å²	33.5	1%	0.014	19%	0.189	C	C	.	.	H	α-helix	trans	-77.9	-36	171.8	-65.7	164.9	2.7	0	0	112.2	P205 T206 P207 Q211 L213 G231 V235	P205-Q209 HydrophobicContact CB-CB 3.78Å; T206-Q209 CarbonylContact O-C 3.52Å; T206-Q209 WeakPolarHBondContact O-CA 3.35Å; T206-Q209 WeakPolarHBondContact O-CB 3.41Å; T206-Q209 PolarHBondContact O-N 3.36Å; T206-Q209 VanDerWaalsContact OG1-CD 3.24Å; T206-Q209 WeakPolarHBondContact OG1-CG 3.41Å; P207-Q209 VanDerWaalsContact C-N 3.27Å; P207-Q209 PolarHBondContact O-N 2.7Å; Q209-Q211 VanDerWaalsContact C-N 3.32Å; Q209-Q211 PolarHBondContact O-N 3.08Å; Q209-L213 HydrophobicContact CB-CD1 3.92Å; Q209-L213 HydrophobicContact CB-CG 4.41Å; Q209-L213 HydrophobicContact CG-CD1 4.4Å; Q209-L213 VanDerWaalsContact O-CB 3.28Å; Q209-L213 WeakPolarHBondContact O-CB 3.16Å; Q209-L213 PolarHBondContact O-N 3.05Å; Q209-G231 PolarHBondContact NE2-O 3.07Å; Q209-V235 HydrophobicContact CB-CG2 4.36Å; Q209-V235 HydrophobicContact CG-CG2 3.66Å
210	M	95.9	Very high	93.8	Very high	11 Å²	11	27.2 Å²	27.2	5%	0.054	16%	0.155	C	C	.	.	H	α-helix	trans	-58.8	-42.2	179.8	-69.2	-174.3	-171	0	0	112.4	F168 I170 P180 I181 R182 P205 T206 P207 P214	F168-M210 HydrophobicContact CD1-CE 3.91Å; F168-M210 HydrophobicContact CD1-SD 4.09Å; F168-M210 HydrophobicContact CD2-CE 4.48Å; F168-M210 HydrophobicContact CD2-SD 3.85Å; F168-M210 HydrophobicContact CE1-CE 3.65Å; F168-M210 HydrophobicContact CE1-SD 4.25Å; F168-M210 HydrophobicContact CE2-CE 4.26Å; F168-M210 HydrophobicContact CE2-SD 4.02Å; F168-M210 HydrophobicContact CG-CE 4.33Å; F168-M210 HydrophobicContact CG-SD 3.9Å; F168-M210 HydrophobicContact CZ-CE 3.84Å; F168-M210 HydrophobicContact CZ-SD 4.22Å; I170-M210 HydrophobicContact CD1-CB 4.29Å; P180-M210 WeakPolarHBondContact CA-O 3.43Å; I181-M210 PolarHBondContact N-O 3.37Å; I181-M210 VanDerWaalsContact O-CA 3.31Å; I181-M210 WeakPolarHBondContact O-CA 3.2Å; I181-M210 WeakPolarHBondContact O-CB 3.4Å; I181-M210 WeakPolarHBondContact O-CG 3.4Å; R182-M210 HydrophobicContact CG-SD 4.37Å; P205-M210 HydrophobicContact CB-CG 3.92Å; P205-M210 HydrophobicContact CG-CE 4.33Å; P205-M210 HydrophobicContact CG-CG 3.74Å; P205-M210 WeakPolarHBondContact O-CE 3.33Å; T206-M210 WeakPolarHBondContact O-CG 3.48Å; T206-M210 PolarHBondContact O-N 2.81Å; P207-M210 PolarHBondContact O-N 3.45Å; M210-P214 VanDerWaalsContact O-CD 3.22Å; M210-P214 WeakPolarHBondContact O-CD 3.4Å; M210-P214 VanDerWaalsContact O-CG 3.28Å; M210-P214 WeakPolarHBondContact O-CG 3.36Å
211	Q	96.6	Very high	94.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-99.4	-33.9	-178.9	-178.3	60	83.4	0	0	112.8	I170 T172 P178 P207 Q209 A215 V398	I170-Q211 HydrophobicContact CD1-CB 4.18Å; I170-Q211 HydrophobicContact CG2-CB 3.92Å; I170-Q211 HydrophobicContact CG2-CG 4.06Å; T172-Q211 HydrophobicContact CG2-CG 3.57Å; P178-Q211 PolarHBondContact O-NE2 3.07Å; P178-Q211 PolarHBondContact O-OE1 2.86Å; P207-Q211 PolarHBondContact O-N 2.87Å; Q209-Q211 VanDerWaalsContact C-N 3.32Å; Q209-Q211 PolarHBondContact O-N 3.08Å; Q211-A215 PolarHBondContact O-N 3.34Å; Q211-V398 HydrophobicContact CB-CG1 3.81Å; Q211-V398 HydrophobicContact CG-CB 4.41Å; Q211-V398 HydrophobicContact CG-CG1 3.67Å; Q211-V398 HydrophobicContact CG-CG2 3.79Å
212	G	97.2	Very high	94.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-72.8	-42.1	-179	0	0	0	0	0	114	I208 A215 V216 M222	I208-G212 WeakPolarHBondContact O-CA 3.31Å; I208-G212 PolarHBondContact O-N 3.17Å; G212-A215 PolarHBondContact O-N 3.35Å; G212-V216 VanDerWaalsContact O-CG2 3.31Å; G212-V216 WeakPolarHBondContact O-CG2 3.21Å; G212-V216 PolarHBondContact O-N 3.12Å; G212-M222 VanDerWaalsContact CA-CE 3.46Å
213	L	97.9	Very high	94.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.5	-47.5	179.5	-73.8	167.2	0	0	0	111.9	F184 M187 F189 Q209 A215 V216 L217 I238 P239	F184-L213 HydrophobicContact CD1-CD1 4.47Å; F184-L213 HydrophobicContact CE1-CD1 4.02Å; M187-L213 HydrophobicContact CE-CB 4.15Å; M187-L213 HydrophobicContact CE-CD1 4.02Å; M187-L213 HydrophobicContact SD-CB 4Å; M187-L213 HydrophobicContact SD-CD1 3.62Å; M187-L213 HydrophobicContact SD-CG 4.46Å; F189-L213 HydrophobicContact CE2-CD1 4.24Å; F189-L213 HydrophobicContact CZ-CD1 4.15Å; F189-L213 HydrophobicContact CZ-CD2 4.3Å; Q209-L213 HydrophobicContact CB-CD1 3.92Å; Q209-L213 HydrophobicContact CB-CG 4.41Å; Q209-L213 HydrophobicContact CG-CD1 4.4Å; Q209-L213 VanDerWaalsContact O-CB 3.28Å; Q209-L213 WeakPolarHBondContact O-CB 3.16Å; Q209-L213 PolarHBondContact O-N 3.05Å; L213-A215 VanDerWaalsContact C-N 3.32Å; L213-A215 PolarHBondContact O-N 2.87Å; L213-V216 PolarHBondContact O-N 3.26Å; L213-L217 HydrophobicContact CB-CD1 4.21Å; L213-L217 VanDerWaalsContact O-CB 3.23Å; L213-L217 WeakPolarHBondContact O-CB 3.43Å; L213-L217 VanDerWaalsContact O-CD1 3.29Å; L213-L217 WeakPolarHBondContact O-CD1 3.36Å; L213-L217 WeakPolarHBondContact O-CG 3.3Å; L213-L217 PolarHBondContact O-N 2.91Å; L213-I238 HydrophobicContact CD2-CB 4.24Å; L213-I238 HydrophobicContact CD2-CG2 4.49Å; L213-P239 HydrophobicContact CD2-CG 3.92Å
214	P	97.2	Very high	95.2	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.013	8%	0.078	C	C	.	.	H	α-helix	trans	-58.9	-38.6	174.4	-26.2	35.9	0	0	0	114	W147 P178 I181 M210 S218	W147-P214 HydrophobicContact CH2-CB 4.18Å; P178-P214 HydrophobicContact CB-CB 4.16Å; I181-P214 HydrophobicContact CB-CG 3.98Å; I181-P214 HydrophobicContact CD1-CB 4.39Å; I181-P214 HydrophobicContact CD1-CG 3.83Å; I181-P214 HydrophobicContact CG1-CB 4.5Å; I181-P214 HydrophobicContact CG1-CG 3.68Å; M210-P214 VanDerWaalsContact O-CD 3.22Å; M210-P214 WeakPolarHBondContact O-CD 3.4Å; M210-P214 VanDerWaalsContact O-CG 3.28Å; M210-P214 WeakPolarHBondContact O-CG 3.36Å; P214-S218 VanDerWaalsContact O-CB 3.29Å; P214-S218 WeakPolarHBondContact O-CB 3.45Å; P214-S218 PolarHBondContact O-N 3.05Å; P214-S218 VanDerWaalsContact O-N 3.08Å; P214-S218 PolarHBondContact O-OG 3.26Å
215	A	96.9	Very high	95.2	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-63.1	-51.5	177	0	0	0	0	0	111.4	Q211 G212 L213 S218 R220	Q211-A215 PolarHBondContact O-N 3.34Å; G212-A215 PolarHBondContact O-N 3.35Å; L213-A215 VanDerWaalsContact C-N 3.32Å; L213-A215 PolarHBondContact O-N 2.87Å; A215-S218 PolarHBondContact O-N 2.99Å; A215-R220 WeakPolarHBondContact O-CB 3.41Å; A215-R220 PolarHBondContact O-N 3.47Å; A215-R220 VanDerWaalsContact O-N 3.17Å
216	V	97.7	Very high	94.7	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-67.5	-41.6	-178.9	179	0	0	0	0	111.8	G212 L213 S218 G219 M222 V235 P239 Y342 Q372 L374	G212-V216 VanDerWaalsContact O-CG2 3.31Å; G212-V216 WeakPolarHBondContact O-CG2 3.21Å; G212-V216 PolarHBondContact O-N 3.12Å; L213-V216 PolarHBondContact O-N 3.26Å; V216-S218 VanDerWaalsContact C-N 3.27Å; V216-S218 PolarHBondContact O-N 3.13Å; V216-G219 PolarHBondContact O-N 2.88Å; V216-M222 HydrophobicContact CG2-CB 4.34Å; V216-M222 HydrophobicContact CG2-SD 3.66Å; V216-V235 HydrophobicContact CG2-CG1 4.2Å; V216-P239 HydrophobicContact CB-CG 4.12Å; V216-P239 HydrophobicContact CG1-CB 3.59Å; V216-P239 HydrophobicContact CG1-CG 3.56Å; V216-Y342 HydrophobicContact CG1-CE2 3.77Å; V216-Y342 VanDerWaalsContact CG1-OH 3.31Å; V216-Y342 WeakPolarHBondContact CG1-OH 3.25Å; V216-Q372 PolarHBondContact O-NE2 3.49Å; V216-L374 HydrophobicContact CB-CD1 4.38Å; V216-L374 HydrophobicContact CG1-CD1 3.69Å; V216-L374 HydrophobicContact CG1-CD2 4.34Å; V216-L374 HydrophobicContact CG2-CD1 3.66Å; V216-L374 HydrophobicContact CG2-CD2 3.84Å; V216-L374 HydrophobicContact CG2-CG 4.43Å
217	L	97.1	Very high	94	Very high	2 Å²	2	9.8 Å²	9.8	1%	0.01	5%	0.053	C	C	.	.	H	α-helix	trans	-65.7	-31.2	178.9	-68.3	162.8	0	0	0	112	T145 W147 F189 L213 G219 P239 L242	T145-L217 WeakPolarHBondContact CB-O 3.28Å; T145-L217 WeakPolarHBondContact CG2-O 3.39Å; T145-L217 PolarHBondContact OG1-O 2.93Å; W147-L217 HydrophobicContact CB-CB 4.32Å; W147-L217 HydrophobicContact CD2-CB 3.45Å; W147-L217 VanDerWaalsContact CD2-CB 3.45Å; W147-L217 HydrophobicContact CD2-CD1 4.26Å; W147-L217 HydrophobicContact CD2-CG 4.35Å; W147-L217 HydrophobicContact CE3-CB 3.54Å; W147-L217 HydrophobicContact CG-CB 3.81Å; W147-L217 HydrophobicContact CG-CD2 4.43Å; W147-L217 HydrophobicContact CH2-CB 4.31Å; W147-L217 HydrophobicContact CH2-CD1 4.45Å; W147-L217 HydrophobicContact CZ2-CB 4.26Å; W147-L217 HydrophobicContact CZ2-CD1 3.85Å; W147-L217 HydrophobicContact CZ3-CB 3.98Å; F189-L217 HydrophobicContact CE1-CD1 3.57Å; F189-L217 HydrophobicContact CE1-CD2 4.16Å; F189-L217 HydrophobicContact CZ-CD1 3.91Å; L213-L217 HydrophobicContact CB-CD1 4.21Å; L213-L217 VanDerWaalsContact O-CB 3.23Å; L213-L217 WeakPolarHBondContact O-CB 3.43Å; L213-L217 VanDerWaalsContact O-CD1 3.29Å; L213-L217 WeakPolarHBondContact O-CD1 3.36Å; L213-L217 WeakPolarHBondContact O-CG 3.3Å; L213-L217 PolarHBondContact O-N 2.91Å; L217-G219 PolarHBondContact O-N 3.33Å; L217-P239 HydrophobicContact CD2-CB 3.95Å; L217-P239 HydrophobicContact CD2-CG 3.92Å; L217-P239 HydrophobicContact CG-CG 4.13Å; L217-L242 HydrophobicContact CD2-CD1 4.37Å
218	S	95.2	Very high	93.1	Very high	37 Å²	37	9.4 Å²	9.4	26%	0.259	5%	0.05	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	3.8	171.5	-55.5	0	0	0	0	114.4	W147 P214 A215 V216 R220	W147-S218 WeakPolarHBondContact CZ3-OG 3.45Å; P214-S218 VanDerWaalsContact O-CB 3.29Å; P214-S218 WeakPolarHBondContact O-CB 3.45Å; P214-S218 PolarHBondContact O-N 3.05Å; P214-S218 VanDerWaalsContact O-N 3.08Å; P214-S218 PolarHBondContact O-OG 3.26Å; A215-S218 PolarHBondContact O-N 2.99Å; V216-S218 VanDerWaalsContact C-N 3.27Å; V216-S218 PolarHBondContact O-N 3.13Å; S218-R220 VanDerWaalsContact C-N 3.3Å; S218-R220 PolarHBondContact O-N 3.41Å
219	G	94.9	Very high	92.2	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	13.5	178.9	0	0	0	0	0	115.2	P142 I143 V216 L217 Q372	P142-G219 WeakPolarHBondContact CB-O 3.22Å; I143-G219 PolarHBondContact N-O 2.9Å; I143-G219 WeakPolarHBondContact O-CA 3.26Å; V216-G219 PolarHBondContact O-N 2.88Å; L217-G219 PolarHBondContact O-N 3.33Å; G219-Q372 VanDerWaalsContact C-NE2 3.34Å
220	R	95.4	Very high	91.4	Very high	17 Å²	17	12 Å²	12	6%	0.064	8%	0.077	C	C	.	.			trans	-74.4	141.3	174.5	-60.4	-63.4	-60.3	-88.2	-2.3	110.8	D175 D176 P178 A215 S218 Q372 K394 V396	D175-R220 VanDerWaalsContact O-CZ 3.24Å; D175-R220 PolarHBondContact O-NH1 2.97Å; D175-R220 PolarHBondContact O-NH2 2.78Å; D176-R220 PolarHBondContact O-NH1 2.89Å; P178-R220 HydrophobicContact CG-CG 4.5Å; A215-R220 WeakPolarHBondContact O-CB 3.41Å; A215-R220 PolarHBondContact O-N 3.47Å; A215-R220 VanDerWaalsContact O-N 3.17Å; S218-R220 VanDerWaalsContact C-N 3.3Å; S218-R220 PolarHBondContact O-N 3.41Å; R220-Q372 PolarHBondContact O-NE2 3.49Å; R220-K394 PolarHBondContact NH2-O 3.33Å; R220-V396 HydrophobicContact CB-CG2 4.25Å; R220-V396 HydrophobicContact CG-CG2 4.3Å
221	D	96.5	Very high	90.9	Very high	4 Å²	4	12.5 Å²	12.5	2%	0.021	9%	0.085	C	C	.	.			trans	-62.5	147.9	159.5	-80	19.9	0	0	0	109.4	Q372 T373 L392 V393 P395 V396	D221-Q372 VanDerWaalsContact OD1-CA 3.28Å; D221-Q372 WeakPolarHBondContact OD1-CA 3.25Å; D221-T373 VanDerWaalsContact CA-O 3.3Å; D221-T373 WeakPolarHBondContact CA-O 3.29Å; D221-T373 WeakPolarHBondContact CB-O 3.48Å; D221-T373 PolarHBondContact OD1-N 3.31Å; D221-L392 HydrophobicContact CB-CB 4.15Å; D221-L392 HydrophobicContact CB-CD2 4.18Å; D221-L392 HydrophobicContact CB-CG 4.43Å; D221-L392 VanDerWaalsContact OD2-CA 3.3Å; D221-L392 WeakPolarHBondContact OD2-CA 3.27Å; D221-V393 PolarHBondContact OD2-N 2.94Å; D221-P395 HydrophobicContact CB-CB 4.13Å; D221-P395 CarbonylContact O-C 3.53Å; D221-P395 VanDerWaalsContact O-CA 3.29Å; D221-P395 WeakPolarHBondContact O-CA 3.46Å; D221-V396 PolarHBondContact O-N 2.69Å
222	M	96.3	Very high	90.6	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	139.1	-172.9	-172.1	-167.8	164.3	0	0	111.6	I208 G212 V216 V235 T373 L374 L375 F376 L392 V396 V398	I208-M222 HydrophobicContact CD1-CE 3.84Å; G212-M222 VanDerWaalsContact CA-CE 3.46Å; V216-M222 HydrophobicContact CG2-CB 4.34Å; V216-M222 HydrophobicContact CG2-SD 3.66Å; M222-V235 HydrophobicContact CE-CG1 4.23Å; M222-V235 HydrophobicContact SD-CG1 4.04Å; M222-T373 PolarHBondContact N-O 3.05Å; M222-L374 HydrophobicContact CB-CD2 3.87Å; M222-L374 WeakPolarHBondContact O-CA 3.43Å; M222-L375 PolarHBondContact O-N 3.45Å; M222-F376 HydrophobicContact CE-CE1 4.21Å; M222-F376 HydrophobicContact SD-CE1 4.48Å; M222-F376 HydrophobicContact SD-CZ 4.25Å; M222-L392 WeakPolarHBondContact O-CD2 3.44Å; M222-V396 WeakPolarHBondContact CA-O 3.26Å; M222-V398 HydrophobicContact CE-CB 3.69Å; M222-V398 HydrophobicContact CE-CG1 4.33Å; M222-V398 HydrophobicContact CE-CG2 3.75Å; M222-V398 HydrophobicContact CG-CG2 4.31Å
223	I	95.8	Very high	90.4	Very high	14 Å²	14	14.9 Å²	14.9	7%	0.072	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	103.5	166.1	-57.3	172.2	0	0	0	107	I225 L375 M380 A388 L392 P395 V396 T397 V398	I223-I225 HydrophobicContact CG2-CD1 4.47Å; I223-I225 HydrophobicContact CG2-CG1 4.13Å; I223-L375 CarbonylContact C-O 3.58Å; I223-L375 WeakPolarHBondContact CA-O 3.37Å; I223-L375 HydrophobicContact CG2-CD2 4.27Å; I223-M380 HydrophobicContact CG2-CE 3.44Å; I223-M380 VanDerWaalsContact CG2-CE 3.44Å; I223-M380 HydrophobicContact CG2-SD 4.42Å; I223-A388 HydrophobicContact CD1-CB 3.74Å; I223-A388 HydrophobicContact CG1-CB 4.37Å; I223-L392 HydrophobicContact CG1-CD2 3.78Å; I223-P395 HydrophobicContact CD1-CB 4.22Å; I223-P395 HydrophobicContact CD1-CG 3.96Å; I223-P395 HydrophobicContact CG1-CB 4.03Å; I223-P395 HydrophobicContact CG1-CG 4.32Å; I223-V396 PolarHBondContact N-O 3.49Å; I223-T397 HydrophobicContact CB-CG2 4.33Å; I223-T397 HydrophobicContact CG2-CG2 4.36Å; I223-T397 WeakPolarHBondContact O-CA 3.45Å; I223-V398 PolarHBondContact O-N 3.15Å
224	G	94.5	Very high	90.2	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.01	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	104.4	177.4	0	0	0	0	0	111.7	L375 F376 S377	G224-L375 PolarHBondContact N-O 2.85Å; G224-F376 WeakPolarHBondContact O-CA 3.45Å; G224-S377 PolarHBondContact O-N 3.23Å
225	I	89.9	Confident	90.2	Very high	8 Å²	8	15.7 Å²	15.7	4%	0.041	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	109.2	175.4	-54.7	165	0	0	0	107.9	I223 S377 M380 T397 V398 N399 V400 A403	I223-I225 HydrophobicContact CG2-CD1 4.47Å; I223-I225 HydrophobicContact CG2-CG1 4.13Å; I225-S377 WeakPolarHBondContact CA-O 3.46Å; I225-M380 HydrophobicContact CD1-CB 3.71Å; I225-M380 HydrophobicContact CD1-CE 3.97Å; I225-M380 HydrophobicContact CD1-CG 3.77Å; I225-M380 HydrophobicContact CG1-CB 4.29Å; I225-M380 HydrophobicContact CG1-CE 3.74Å; I225-T397 HydrophobicContact CD1-CG2 3.91Å; I225-V398 PolarHBondContact N-O 2.96Å; I225-N399 HydrophobicContact CB-CB 4.07Å; I225-N399 HydrophobicContact CD1-CB 4.21Å; I225-N399 WeakPolarHBondContact CG2-OD1 3.33Å; I225-N399 WeakPolarHBondContact O-CA 3.45Å; I225-V400 PolarHBondContact O-N 3.04Å; I225-A403 HydrophobicContact CG2-CB 3.92Å
226	A	84.8	Confident	90.2	Very high	4 Å²	4	15.7 Å²	15.7	3%	0.033	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	145.9	179.3	0	0	0	0	0	112.6	I208 S230 S377	I208-A226 HydrophobicContact CB-CB 4.4Å; I208-A226 HydrophobicContact CD1-CB 4.4Å; I208-A226 HydrophobicContact CG1-CB 4.12Å; A226-S230 WeakPolarHBondContact CB-OG 3.32Å; A226-S377 PolarHBondContact N-O 3.35Å
227	F	74.9	Confident	90.2	Very high	66 Å²	66	15.7 Å²	15.7	29%	0.289	10%	0.102	S	C	.	.			trans	-65.1	165.1	176.3	64.1	-84	0	0	0	113.4	S230	F227-S230 WeakPolarHBondContact O-CB 3.29Å; F227-S230 PolarHBondContact O-N 3.37Å; F227-S230 PolarHBondContact O-OG 2.81Å
228	T	73.3	Confident	90.2	Very high	28 Å²	28	15.7 Å²	15.7	17%	0.172	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	134.4	177.2	44.5	0	0	0	0	111.7	S230 G523	T228-S230 VanDerWaalsContact C-N 3.33Å; T228-G523 PolarHBondContact OG1-O 3.37Å
229	G	72.3	Confident	90.3	Very high	51 Å²	51	13.9 Å²	13.9	53%	0.526	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	87	-6.4	-176	0	0	0	0	0	115	G231	G229-G231 PolarHBondContact O-N 3Å
230	S	78.9	Confident	90.4	Very high	7 Å²	7	13.9 Å²	13.9	5%	0.049	9%	0.089	C	C	.	.	S	Bend	trans	-59.5	-10.4	171.7	59.2	0	0	0	0	115.3	T206 I208 A226 F227 T228	T206-S230 VanDerWaalsContact CB-O 3.23Å; T206-S230 WeakPolarHBondContact CB-O 3.34Å; T206-S230 WeakPolarHBondContact CG2-O 3.43Å; T206-S230 PolarHBondContact OG1-O 3.16Å; I208-S230 WeakPolarHBondContact CG2-O 3.29Å; A226-S230 WeakPolarHBondContact CB-OG 3.32Å; F227-S230 WeakPolarHBondContact O-CB 3.29Å; F227-S230 PolarHBondContact O-N 3.37Å; F227-S230 PolarHBondContact O-OG 2.81Å; T228-S230 VanDerWaalsContact C-N 3.33Å
231	G	85.7	Confident	90.4	Very high	21 Å²	21	13.2 Å²	13.2	22%	0.216	9%	0.087	C	C	.	.	S	Bend	trans	90.2	10.9	-176.7	0	0	0	0	0	115	Q209 G229 T233 M234	Q209-G231 PolarHBondContact NE2-O 3.07Å; G229-G231 PolarHBondContact O-N 3Å; G231-T233 PolarHBondContact O-N 2.94Å; G231-T233 VanDerWaalsContact O-N 3.15Å; G231-M234 PolarHBondContact O-N 3.04Å; G231-M234 VanDerWaalsContact O-N 3.12Å
232	K	90.7	Very high	90.4	Very high	15 Å²	15	14.5 Å²	14.5	7%	0.065	9%	0.094	C	C	.	.	H	α-helix	trans	-46.3	-40.6	178.4	63	171.3	-177	165.5	0	114.3	M234 V235 F236 D346 E347 F376	K232-M234 VanDerWaalsContact C-N 3.26Å; K232-M234 PolarHBondContact O-N 3.2Å; K232-V235 VanDerWaalsContact O-CB 3.25Å; K232-V235 WeakPolarHBondContact O-CB 3.36Å; K232-V235 PolarHBondContact O-N 2.9Å; K232-F236 WeakPolarHBondContact O-CD1 3.4Å; K232-D346 VanDerWaalsContact CE-OD1 3.29Å; K232-D346 WeakPolarHBondContact CE-OD1 3.36Å; K232-D346 IonicContact NZ-OD1 2.7Å; K232-D346 PolarHBondContact NZ-OD1 3.48Å; K232-D346 IonicContact NZ-OD2 2.86Å; K232-E347 IonicContact NZ-OE1 2.68Å; K232-F376 HydrophobicContact CB-CD1 3.93Å; K232-F376 HydrophobicContact CB-CE1 4.34Å; K232-F376 HydrophobicContact CD-CB 4.36Å
233	T	92.8	Very high	90.3	Very high	35 Å²	35	15 Å²	15	22%	0.215	10%	0.096	C	C	.	.	H	α-helix	trans	-58.3	-36.3	-177.3	-45.9	0	0	0	0	112.7	G231 V235 F236 S237 T274 V277	G231-T233 PolarHBondContact O-N 2.94Å; G231-T233 VanDerWaalsContact O-N 3.15Å; T233-V235 VanDerWaalsContact C-N 3.34Å; T233-F236 HydrophobicContact CG2-CE2 4.23Å; T233-F236 HydrophobicContact CG2-CZ 3.87Å; T233-S237 WeakPolarHBondContact O-CB 3.48Å; T233-S237 PolarHBondContact O-N 2.82Å; T233-S237 PolarHBondContact O-OG 3.43Å; T233-T274 HydrophobicContact CG2-CG2 4.46Å; T233-V277 HydrophobicContact CG2-CB 4.41Å; T233-V277 HydrophobicContact CG2-CG1 4.04Å
234	M	94.5	Very high	90.3	Very high	19 Å²	19	14.3 Å²	14.3	9%	0.094	9%	0.092	C	C	.	.	H	α-helix	trans	-70.6	-30.3	177.6	-65.7	-64.5	176.8	0	0	112.6	L197 I202 G231 K232 F236 S237 I238 V277 L281	L197-M234 HydrophobicContact CD2-SD 4.47Å; I202-M234 HydrophobicContact CD1-CE 3.91Å; G231-M234 PolarHBondContact O-N 3.04Å; G231-M234 VanDerWaalsContact O-N 3.12Å; K232-M234 VanDerWaalsContact C-N 3.26Å; K232-M234 PolarHBondContact O-N 3.2Å; M234-F236 VanDerWaalsContact C-N 3.26Å; M234-F236 PolarHBondContact O-N 3.5Å; M234-S237 PolarHBondContact O-N 3.37Å; M234-I238 HydrophobicContact CB-CD1 4.1Å; M234-I238 WeakPolarHBondContact O-CB 3.47Å; M234-I238 WeakPolarHBondContact O-CG1 3.43Å; M234-I238 PolarHBondContact O-N 3.41Å; M234-I238 HydrophobicContact SD-CD1 4.39Å; M234-I238 HydrophobicContact SD-CG1 4.49Å; M234-V277 HydrophobicContact CE-CG1 4.12Å; M234-L281 HydrophobicContact CE-CD1 4.49Å; M234-L281 HydrophobicContact SD-CD1 3.86Å
235	V	97.1	Very high	90.2	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-60.8	-38	-178.5	-173.6	0	0	0	0	111.1	I208 Q209 V216 M222 K232 T233 P239 F376	I208-V235 HydrophobicContact CG1-CG2 4.38Å; I208-V235 HydrophobicContact CG2-CG2 4.35Å; Q209-V235 HydrophobicContact CB-CG2 4.36Å; Q209-V235 HydrophobicContact CG-CG2 3.66Å; V216-V235 HydrophobicContact CG2-CG1 4.2Å; M222-V235 HydrophobicContact CE-CG1 4.23Å; M222-V235 HydrophobicContact SD-CG1 4.04Å; K232-V235 VanDerWaalsContact O-CB 3.25Å; K232-V235 WeakPolarHBondContact O-CB 3.36Å; K232-V235 PolarHBondContact O-N 2.9Å; T233-V235 VanDerWaalsContact C-N 3.34Å; V235-P239 WeakPolarHBondContact O-CD 3.17Å; V235-P239 VanDerWaalsContact O-CG 3.27Å; V235-P239 WeakPolarHBondContact O-CG 3.45Å; V235-F376 HydrophobicContact CB-CE1 4.14Å; V235-F376 HydrophobicContact CB-CZ 4.02Å; V235-F376 HydrophobicContact CG1-CE1 4.21Å; V235-F376 HydrophobicContact CG1-CZ 3.96Å
236	F	97.1	Very high	90.2	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-97.7	-29.5	176.1	66.4	-108.7	0	0	0	114.1	K232 T233 M234 V240 V263 T274 Y342 V344 D346 L374 F376	K232-F236 WeakPolarHBondContact O-CD1 3.4Å; T233-F236 HydrophobicContact CG2-CE2 4.23Å; T233-F236 HydrophobicContact CG2-CZ 3.87Å; M234-F236 VanDerWaalsContact C-N 3.26Å; M234-F236 PolarHBondContact O-N 3.5Å; F236-V240 WeakPolarHBondContact O-CG1 3.41Å; F236-V240 PolarHBondContact O-N 3.48Å; F236-V263 HydrophobicContact CD2-CG2 4.4Å; F236-V263 HydrophobicContact CE2-CG1 3.95Å; F236-V263 HydrophobicContact CE2-CG2 4.38Å; F236-V263 HydrophobicContact CZ-CG1 4.38Å; F236-T274 HydrophobicContact CE2-CG2 3.63Å; F236-T274 HydrophobicContact CZ-CG2 3.92Å; F236-Y342 VanDerWaalsContact CA-OH 3.3Å; F236-Y342 WeakPolarHBondContact CA-OH 3.33Å; F236-Y342 PolarHBondContact O-OH 3.07Å; F236-V344 HydrophobicContact CB-CG1 4.02Å; F236-V344 HydrophobicContact CB-CG2 3.75Å; F236-V344 HydrophobicContact CD1-CG1 3.73Å; F236-V344 HydrophobicContact CD2-CB 4.48Å; F236-V344 HydrophobicContact CD2-CG1 3.96Å; F236-V344 HydrophobicContact CD2-CG2 4.06Å; F236-V344 HydrophobicContact CE1-CG1 4.04Å; F236-V344 HydrophobicContact CE2-CG1 4.31Å; F236-V344 HydrophobicContact CG-CB 4.46Å; F236-V344 HydrophobicContact CG-CG1 3.66Å; F236-V344 HydrophobicContact CG-CG2 4.04Å; F236-V344 HydrophobicContact CZ-CG1 4.33Å; F236-D346 HydrophobicContact CE1-CB 4.32Å; F236-D346 HydrophobicContact CZ-CB 4.43Å; F236-L374 HydrophobicContact CB-CD1 3.85Å; F236-F376 HydrophobicContact CB-CE2 3.86Å; F236-F376 HydrophobicContact CB-CZ 4.28Å; F236-F376 AromaticContact CD1-CD2 3.73Å; F236-F376 HydrophobicContact CD1-CD2 3.73Å; F236-F376 AromaticContact CD1-CE2 3.51Å; F236-F376 HydrophobicContact CD1-CE2 3.51Å; F236-F376 HydrophobicContact CD1-CG 4.42Å; F236-F376 HydrophobicContact CD1-CZ 4.03Å; F236-F376 HydrophobicContact CE1-CD2 4.27Å; F236-F376 HydrophobicContact CE1-CE2 4.47Å; F236-F376 HydrophobicContact CG-CE2 4.13Å
237	S	96.9	Very high	90.5	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-72.6	-36.8	-178	-61.6	0	0	0	0	112.9	T233 M234 V240 I241 I278	T233-S237 WeakPolarHBondContact O-CB 3.48Å; T233-S237 PolarHBondContact O-N 2.82Å; T233-S237 PolarHBondContact O-OG 3.43Å; M234-S237 PolarHBondContact O-N 3.37Å; S237-V240 WeakPolarHBondContact O-CG1 3.23Å; S237-I241 VanDerWaalsContact O-CD1 3.29Å; S237-I241 WeakPolarHBondContact O-CD1 3.37Å; S237-I241 WeakPolarHBondContact O-CG1 3.33Å; S237-I241 PolarHBondContact O-N 3.03Å; S237-I278 WeakPolarHBondContact OG-CG1 3.36Å
238	I	96.9	Very high	91.2	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.01	11%	0.107	C	C	.	.	H	α-helix	trans	-67.2	-52.2	179.6	-70	169.2	0	0	0	111.2	F189 L193 L197 L213 M234 V240 I241 L242	F189-I238 HydrophobicContact CE1-CG2 3.88Å; F189-I238 HydrophobicContact CE2-CD1 4.43Å; F189-I238 HydrophobicContact CE2-CG2 4.02Å; F189-I238 HydrophobicContact CZ-CG2 3.6Å; L193-I238 HydrophobicContact CD2-CG1 4.45Å; L193-I238 HydrophobicContact CD2-CG2 3.66Å; L197-I238 HydrophobicContact CD1-CD1 4.25Å; L197-I238 HydrophobicContact CD2-CD1 4.37Å; L213-I238 HydrophobicContact CD2-CB 4.24Å; L213-I238 HydrophobicContact CD2-CG2 4.49Å; M234-I238 HydrophobicContact CB-CD1 4.1Å; M234-I238 WeakPolarHBondContact O-CB 3.47Å; M234-I238 WeakPolarHBondContact O-CG1 3.43Å; M234-I238 PolarHBondContact O-N 3.41Å; M234-I238 HydrophobicContact SD-CD1 4.39Å; M234-I238 HydrophobicContact SD-CG1 4.49Å; I238-V240 PolarHBondContact O-N 3.39Å; I238-I241 PolarHBondContact O-N 3.2Å; I238-L242 HydrophobicContact CG2-CD1 3.73Å; I238-L242 HydrophobicContact CG2-CG 4.31Å; I238-L242 WeakPolarHBondContact O-CG 3.48Å; I238-L242 PolarHBondContact O-N 2.75Å
239	P	97.3	Very high	92	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.8	-40.2	-178.2	-26	39.1	0	0	0	113	L213 V216 L217 V235 I241 L242 F243 Y342	L213-P239 HydrophobicContact CD2-CG 3.92Å; V216-P239 HydrophobicContact CB-CG 4.12Å; V216-P239 HydrophobicContact CG1-CB 3.59Å; V216-P239 HydrophobicContact CG1-CG 3.56Å; L217-P239 HydrophobicContact CD2-CB 3.95Å; L217-P239 HydrophobicContact CD2-CG 3.92Å; L217-P239 HydrophobicContact CG-CG 4.13Å; V235-P239 WeakPolarHBondContact O-CD 3.17Å; V235-P239 VanDerWaalsContact O-CG 3.27Å; V235-P239 WeakPolarHBondContact O-CG 3.45Å; P239-I241 VanDerWaalsContact C-N 3.31Å; P239-I241 PolarHBondContact O-N 3.07Å; P239-L242 PolarHBondContact O-N 3.3Å; P239-F243 HydrophobicContact CB-CD2 4.35Å; P239-F243 HydrophobicContact CB-CE2 3.95Å; P239-F243 HydrophobicContact CB-CZ 4.25Å; P239-F243 WeakPolarHBondContact O-CB 3.49Å; P239-F243 VanDerWaalsContact O-CD2 3.31Å; P239-F243 WeakPolarHBondContact O-CD2 3.5Å; P239-F243 WeakPolarHBondContact O-CG 3.31Å; P239-F243 PolarHBondContact O-N 3.06Å; P239-Y342 HydrophobicContact CB-CE2 4.43Å
240	V	96.6	Very high	92.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.8	-35.8	179	75.3	0	0	0	0	112.7	F236 S237 I238 S244 I318 Y342	F236-V240 WeakPolarHBondContact O-CG1 3.41Å; F236-V240 PolarHBondContact O-N 3.48Å; S237-V240 WeakPolarHBondContact O-CG1 3.23Å; I238-V240 PolarHBondContact O-N 3.39Å; V240-S244 VanDerWaalsContact O-CB 3.25Å; V240-S244 WeakPolarHBondContact O-CB 3.08Å; V240-S244 PolarHBondContact O-N 2.97Å; V240-S244 PolarHBondContact O-OG 2.82Å; V240-I318 HydrophobicContact CG1-CD1 4.01Å; V240-I318 HydrophobicContact CG2-CD1 4.36Å; V240-I318 HydrophobicContact CG2-CG1 4.13Å; V240-Y342 HydrophobicContact CB-CD1 3.78Å; V240-Y342 HydrophobicContact CB-CE1 3.55Å; V240-Y342 HydrophobicContact CB-CG 4.45Å; V240-Y342 HydrophobicContact CG1-CE1 4.46Å; V240-Y342 HydrophobicContact CG2-CD1 3.56Å; V240-Y342 HydrophobicContact CG2-CE1 3.88Å; V240-Y342 HydrophobicContact CG2-CG 4.14Å
241	I	96.6	Very high	93.2	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.015	15%	0.154	C	C	.	.	H	α-helix	trans	-67.3	-49.1	173.8	-66.8	166.6	0	0	0	110.2	S237 I238 P239 F243 S244 M245 I278 L281 I282 L285 I318	S237-I241 VanDerWaalsContact O-CD1 3.29Å; S237-I241 WeakPolarHBondContact O-CD1 3.37Å; S237-I241 WeakPolarHBondContact O-CG1 3.33Å; S237-I241 PolarHBondContact O-N 3.03Å; I238-I241 PolarHBondContact O-N 3.2Å; P239-I241 VanDerWaalsContact C-N 3.31Å; P239-I241 PolarHBondContact O-N 3.07Å; I241-F243 PolarHBondContact O-N 2.87Å; I241-S244 PolarHBondContact O-N 2.83Å; I241-M245 HydrophobicContact CG2-CE 3.83Å; I241-M245 HydrophobicContact CG2-SD 4.16Å; I241-M245 WeakPolarHBondContact O-CG 3.32Å; I241-M245 PolarHBondContact O-N 2.81Å; I241-I278 HydrophobicContact CD1-CG2 4.19Å; I241-I278 HydrophobicContact CG1-CG2 4.26Å; I241-L281 HydrophobicContact CD1-CB 3.63Å; I241-L281 HydrophobicContact CD1-CD1 3.96Å; I241-L281 HydrophobicContact CD1-CG 4.47Å; I241-I282 HydrophobicContact CD1-CG1 4.02Å; I241-I282 HydrophobicContact CG1-CD1 4.43Å; I241-I282 HydrophobicContact CG1-CG1 4.04Å; I241-I282 HydrophobicContact CG2-CG1 4.21Å; I241-L285 HydrophobicContact CG2-CD1 3.86Å; I241-I318 HydrophobicContact CG1-CD1 3.92Å
242	L	95.2	Very high	93.2	Very high	31 Å²	31	33.8 Å²	33.8	16%	0.162	17%	0.171	C	C	.	.	H	α-helix	trans	-63	-43.1	-178.8	-67.5	175.9	0	0	0	112.3	F189 P190 L193 L217 I238 P239 M245 D246	F189-L242 HydrophobicContact CD1-CD1 3.69Å; F189-L242 HydrophobicContact CE1-CD1 3.74Å; P190-L242 HydrophobicContact CG-CD2 3.96Å; L193-L242 HydrophobicContact CD2-CD1 4.36Å; L193-L242 HydrophobicContact CD2-CD2 4.43Å; L217-L242 HydrophobicContact CD2-CD1 4.37Å; I238-L242 HydrophobicContact CG2-CD1 3.73Å; I238-L242 HydrophobicContact CG2-CG 4.31Å; I238-L242 WeakPolarHBondContact O-CG 3.48Å; I238-L242 PolarHBondContact O-N 2.75Å; P239-L242 PolarHBondContact O-N 3.3Å; L242-M245 PolarHBondContact O-N 3.2Å; L242-D246 PolarHBondContact O-N 3.14Å
243	F	95.1	Very high	92.9	Very high	9 Å²	9	34.3 Å²	34.3	4%	0.039	17%	0.173	C	C	.	.	H	α-helix	trans	-65.5	-40.8	175	-62	-27	0	0	0	111.6	T145 P239 I241 M245 D246 Q247 Y260 Y342	T145-F243 HydrophobicContact CG2-CE1 4.03Å; T145-F243 HydrophobicContact CG2-CE2 4.45Å; T145-F243 HydrophobicContact CG2-CZ 3.72Å; P239-F243 HydrophobicContact CB-CD2 4.35Å; P239-F243 HydrophobicContact CB-CE2 3.95Å; P239-F243 HydrophobicContact CB-CZ 4.25Å; P239-F243 WeakPolarHBondContact O-CB 3.49Å; P239-F243 VanDerWaalsContact O-CD2 3.31Å; P239-F243 WeakPolarHBondContact O-CD2 3.5Å; P239-F243 WeakPolarHBondContact O-CG 3.31Å; P239-F243 PolarHBondContact O-N 3.06Å; I241-F243 PolarHBondContact O-N 2.87Å; F243-M245 VanDerWaalsContact C-N 3.3Å; F243-M245 PolarHBondContact O-N 2.42Å; F243-D246 PolarHBondContact O-N 2.83Å; F243-Q247 WeakPolarHBondContact O-CG 3.2Å; F243-Q247 PolarHBondContact O-N 3Å; F243-Y260 HydrophobicContact CB-CD1 4.49Å; F243-Y260 HydrophobicContact CB-CE1 3.56Å; F243-Y260 HydrophobicContact CD2-CE1 4.5Å; F243-Y260 HydrophobicContact CG-CE1 4.49Å; F243-Y342 HydrophobicContact CD2-CD2 4.08Å; F243-Y342 HydrophobicContact CD2-CE2 4.19Å; F243-Y342 HydrophobicContact CE2-CD2 4.16Å; F243-Y342 HydrophobicContact CE2-CE2 4.02Å
244	S	94.4	Very high	92.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.7	-37.9	174.8	-60.1	0	0	0	0	112.1	V240 I241 E248	V240-S244 VanDerWaalsContact O-CB 3.25Å; V240-S244 WeakPolarHBondContact O-CB 3.08Å; V240-S244 PolarHBondContact O-N 2.97Å; V240-S244 PolarHBondContact O-OG 2.82Å; I241-S244 PolarHBondContact O-N 2.83Å; S244-E248 WeakPolarHBondContact O-CB 3.26Å; S244-E248 PolarHBondContact O-N 3.18Å
245	M	92.3	Very high	92.1	Very high	8 Å²	8	43.3 Å²	43.3	4%	0.039	22%	0.215	C	C	.	.	H	α-helix	trans	-67.3	-43.2	174.4	-71	-179.3	172	0	0	112.8	I241 L242 F243 Q247 E248 Q249 L285 F290 P291 I293	I241-M245 HydrophobicContact CG2-CE 3.83Å; I241-M245 HydrophobicContact CG2-SD 4.16Å; I241-M245 WeakPolarHBondContact O-CG 3.32Å; I241-M245 PolarHBondContact O-N 2.81Å; L242-M245 PolarHBondContact O-N 3.2Å; F243-M245 VanDerWaalsContact C-N 3.3Å; F243-M245 PolarHBondContact O-N 2.42Å; M245-Q247 VanDerWaalsContact C-N 3.3Å; M245-Q247 PolarHBondContact O-N 2.9Å; M245-E248 PolarHBondContact O-N 2.9Å; M245-Q249 WeakPolarHBondContact O-CB 3.29Å; M245-Q249 VanDerWaalsContact O-CG 3.3Å; M245-Q249 WeakPolarHBondContact O-CG 3.47Å; M245-Q249 PolarHBondContact O-N 3.18Å; M245-L285 HydrophobicContact CE-CB 3.83Å; M245-L285 HydrophobicContact CE-CD1 3.71Å; M245-L285 HydrophobicContact CE-CG 4.41Å; M245-L285 HydrophobicContact SD-CD1 4.13Å; M245-F290 HydrophobicContact CE-CB 3.96Å; M245-F290 HydrophobicContact SD-CB 4.12Å; M245-F290 HydrophobicContact SD-CD1 4Å; M245-F290 HydrophobicContact SD-CG 4.37Å; M245-P291 HydrophobicContact CB-CG 4.37Å; M245-P291 HydrophobicContact CG-CG 4.23Å; M245-I293 HydrophobicContact CB-CD1 4.46Å; M245-I293 HydrophobicContact CE-CG1 3.77Å; M245-I293 HydrophobicContact CG-CD1 3.74Å; M245-I293 HydrophobicContact CG-CG1 3.53Å
246	D	91.2	Very high	91.4	Very high	38 Å²	38	47.2 Å²	47.2	20%	0.203	24%	0.236	C	C	.	.	H	α-helix	trans	-62.3	-36.8	175.9	-175.6	44.8	0	0	0	111.6	S146 L242 F243 K250	S146-D246 PolarHBondContact OG-OD2 3.12Å; L242-D246 PolarHBondContact O-N 3.14Å; F243-D246 PolarHBondContact O-N 2.83Å; D246-K250 VanDerWaalsContact O-CD 3.29Å; D246-K250 WeakPolarHBondContact O-CD 3.47Å; D246-K250 VanDerWaalsContact O-CG 3.25Å; D246-K250 WeakPolarHBondContact O-CG 3.31Å; D246-K250 PolarHBondContact O-N 2.82Å; D246-K250 WeakPolarHBondContact OD1-CE 3.08Å; D246-K250 IonicContact OD1-NZ 2.7Å; D246-K250 PolarHBondContact OD1-NZ 2.86Å; D246-K250 IonicContact OD2-NZ 2.85Å; D246-K250 PolarHBondContact OD2-NZ 2.67Å
247	Q	90.4	Very high	90.9	Very high	65 Å²	65	50.1 Å²	50.1	30%	0.304	25%	0.25	S	C	.	.	H	α-helix	trans	-71.3	-51.2	174.1	-62.3	-58.1	-45.8	0	0	112.3	F243 M245 Q249 K250 I251 F253 Y260	F243-Q247 WeakPolarHBondContact O-CG 3.2Å; F243-Q247 PolarHBondContact O-N 3Å; M245-Q247 VanDerWaalsContact C-N 3.3Å; M245-Q247 PolarHBondContact O-N 2.9Å; Q247-Q249 PolarHBondContact O-N 3.37Å; Q247-K250 PolarHBondContact O-N 2.87Å; Q247-I251 PolarHBondContact O-N 3Å; Q247-I251 VanDerWaalsContact O-O 3.05Å; Q247-F253 HydrophobicContact CB-CE2 3.71Å; Q247-F253 HydrophobicContact CB-CZ 4.24Å; Q247-Y260 HydrophobicContact CG-CD2 4.08Å; Q247-Y260 HydrophobicContact CG-CE2 3.8Å
248	E	90.7	Very high	90.6	Very high	28 Å²	28	50.3 Å²	50.3	13%	0.131	25%	0.252	C	S	.	.	H	α-helix	trans	-57.8	-33.2	179.8	-175.9	80.3	149.8	0	0	112.3	S244 M245 F253 P291 I293 R294 H317	S244-E248 WeakPolarHBondContact O-CB 3.26Å; S244-E248 PolarHBondContact O-N 3.18Å; M245-E248 PolarHBondContact O-N 2.9Å; E248-F253 WeakPolarHBondContact OE2-CB 3.29Å; E248-F253 VanDerWaalsContact OE2-CD2 3.3Å; E248-F253 WeakPolarHBondContact OE2-CD2 3.38Å; E248-F253 PolarHBondContact OE2-N 2.93Å; E248-P291 HydrophobicContact CG-CB 4.33Å; E248-I293 HydrophobicContact CB-CD1 4.25Å; E248-R294 IonicContact OE1-CZ 3.92Å; E248-R294 IonicContact OE1-NH1 2.89Å; E248-R294 PolarHBondContact OE1-NH1 3.34Å; E248-R294 IonicContact OE1-NH2 3.72Å; E248-H317 WeakPolarHBondContact CB-NE2 3.32Å; E248-H317 WeakPolarHBondContact CG-NE2 3.43Å; E248-H317 IonicContact OE1-CE1 2.75Å; E248-H317 PolarHBondContact OE1-CE1 3.12Å; E248-H317 IonicContact OE1-NE2 3.54Å; E248-H317 PolarHBondContact OE1-NE2 2.99Å; E248-H317 IonicContact OE2-CD2 3.45Å; E248-H317 IonicContact OE2-CE1 2.81Å; E248-H317 IonicContact OE2-NE2 2.97Å; E248-H317 PolarHBondContact OE2-NE2 2.91Å
249	Q	89.6	Confident	90.4	Very high	128 Å²	128	50.3 Å²	50.3	60%	0.598	25%	0.252	S	S	*	.	H	α-helix	trans	-72	-29.3	174.8	-74.3	-177.8	3	0	0	113.8	M245 Q247 P291	M245-Q249 WeakPolarHBondContact O-CB 3.29Å; M245-Q249 VanDerWaalsContact O-CG 3.3Å; M245-Q249 WeakPolarHBondContact O-CG 3.47Å; M245-Q249 PolarHBondContact O-N 3.18Å; Q247-Q249 PolarHBondContact O-N 3.37Å; Q249-P291 HydrophobicContact CG-CG 4.09Å
250	K	89.2	Confident	90.3	Very high	120 Å²	120	51.7 Å²	51.7	52%	0.522	26%	0.257	S	S	.	.	H	α-helix	trans	-84.1	-48.3	179.3	-73.1	167.7	-177.5	166.9	0	111.6	D246 Q247	D246-K250 VanDerWaalsContact O-CD 3.29Å; D246-K250 WeakPolarHBondContact O-CD 3.47Å; D246-K250 VanDerWaalsContact O-CG 3.25Å; D246-K250 WeakPolarHBondContact O-CG 3.31Å; D246-K250 PolarHBondContact O-N 2.82Å; D246-K250 WeakPolarHBondContact OD1-CE 3.08Å; D246-K250 IonicContact OD1-NZ 2.7Å; D246-K250 PolarHBondContact OD1-NZ 2.86Å; D246-K250 IonicContact OD2-NZ 2.85Å; D246-K250 PolarHBondContact OD2-NZ 2.67Å; Q247-K250 PolarHBondContact O-N 2.87Å
251	I	86.9	Confident	90.3	Very high	121 Å²	121	51.7 Å²	51.7	62%	0.621	26%	0.257	S	S	*	.	S	Bend	trans	-143.3	111.4	-179	-55.4	179.8	0	0	0	107.1	Q247 F253	Q247-I251 PolarHBondContact O-N 3Å; Q247-I251 VanDerWaalsContact O-O 3.05Å; I251-F253 PolarHBondContact O-N 3.26Å
252	P	85.7	Confident	90.3	Very high	88 Å²	88	51.5 Å²	51.5	57%	0.571	26%	0.256	S	S	*	.			trans	-61.9	132.6	177.9	-24.4	34.7	0	0	0	112.1	I254	P252-I254 PolarHBondContact O-N 3.32Å
253	F	84.8	Confident	90.5	Very high	25 Å²	25	50.1 Å²	50.1	11%	0.11	25%	0.249	C	C	.	.			trans	-66	124.1	179.7	-83	-117.3	0	0	0	110.8	Q247 E248 I251 E257 Y260 R294 H317 V339	Q247-F253 HydrophobicContact CB-CE2 3.71Å; Q247-F253 HydrophobicContact CB-CZ 4.24Å; E248-F253 WeakPolarHBondContact OE2-CB 3.29Å; E248-F253 VanDerWaalsContact OE2-CD2 3.3Å; E248-F253 WeakPolarHBondContact OE2-CD2 3.38Å; E248-F253 PolarHBondContact OE2-N 2.93Å; I251-F253 PolarHBondContact O-N 3.26Å; F253-E257 WeakPolarHBondContact CA-OE2 3.25Å; F253-Y260 HydrophobicContact CZ-CD2 4.49Å; F253-Y260 HydrophobicContact CZ-CG 4.45Å; F253-R294 PolarHBondContact O-NH2 3.49Å; F253-H317 WeakPolarHBondContact CB-NE2 3.3Å; F253-H317 AromaticContact CD1-CD2 3.88Å; F253-H317 AromaticContact CD2-CD2 3.41Å; F253-H317 VanDerWaalsContact CD2-CD2 3.41Å; F253-H317 WeakPolarHBondContact CD2-CD2 3.38Å; F253-H317 AromaticContact CD2-NE2 3.09Å; F253-H317 WeakPolarHBondContact CD2-NE2 3.32Å; F253-H317 AromaticContact CE2-CD2 3.67Å; F253-H317 AromaticContact CE2-NE2 3.93Å; F253-H317 AromaticContact CG-CD2 3.54Å; F253-H317 AromaticContact CG-NE2 3.42Å; F253-H317 WeakPolarHBondContact CG-NE2 3.42Å; F253-V339 HydrophobicContact CE1-CG2 4.21Å
254	I	84.5	Confident	90.6	Very high	111 Å²	111	49.7 Å²	49.7	57%	0.569	25%	0.247	S	C	*	.			trans	-92.8	175.8	176.9	70.2	171.3	0	0	0	111.6	P252 E257	P252-I254 PolarHBondContact O-N 3.32Å; I254-E257 HydrophobicContact CD1-CG 4.46Å; I254-E257 VanDerWaalsContact CG1-CD 3.4Å; I254-E257 HydrophobicContact CG1-CG 3.54Å; I254-E257 PolarHBondContact N-OE2 2.84Å
255	Q	85	Confident	90.5	Very high	132 Å²	132	49.9 Å²	49.9	62%	0.617	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	139.9	179.5	-70.5	179.4	-2.7	0	0	111.4	E257 K312 R313	Q255-E257 VanDerWaalsContact C-N 3.3Å; Q255-E257 PolarHBondContact O-N 2.94Å; Q255-K312 WeakPolarHBondContact CB-O 3.44Å; Q255-R313 WeakPolarHBondContact CG-O 3.37Å; Q255-R313 PolarHBondContact NE2-O 3.03Å
256	N	83.5	Confident	90.2	Very high	82 Å²	82	50 Å²	50	44%	0.439	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.3	13.8	171.2	-161.8	62.8	0	0	0	116.8	G258 N336	N256-G258 VanDerWaalsContact C-N 3.27Å; N256-G258 PolarHBondContact O-N 2.84Å; N256-N336 PolarHBondContact O-ND2 3.34Å
257	E	86.9	Confident	89.9	Confident	62 Å²	62	49.3 Å²	49.3	29%	0.29	25%	0.248	S	C	.	.			trans	-70	-20.9	174.3	-67.8	-171.4	124.6	0	0	114.4	F253 I254 Q255 N336 V339	F253-E257 WeakPolarHBondContact CA-OE2 3.25Å; I254-E257 HydrophobicContact CD1-CG 4.46Å; I254-E257 VanDerWaalsContact CG1-CD 3.4Å; I254-E257 HydrophobicContact CG1-CG 3.54Å; I254-E257 PolarHBondContact N-OE2 2.84Å; Q255-E257 VanDerWaalsContact C-N 3.3Å; Q255-E257 PolarHBondContact O-N 2.94Å; E257-N336 PolarHBondContact O-OD1 3.08Å; E257-N336 VanDerWaalsContact O-OD1 3.05Å; E257-V339 HydrophobicContact CB-CG1 4.23Å; E257-V339 HydrophobicContact CB-CG2 4.38Å; E257-V339 WeakPolarHBondContact O-CG2 3.29Å
258	G	88.8	Confident	89.7	Confident	4 Å²	4	52.4 Å²	52.4	4%	0.041	26%	0.257	C	S	.	.			trans	86.4	172.8	-171.6	0	0	0	0	0	112.9	N256 N336 V339	N256-G258 VanDerWaalsContact C-N 3.27Å; N256-G258 PolarHBondContact O-N 2.84Å; G258-N336 WeakPolarHBondContact CA-O 3.09Å; G258-V339 VanDerWaalsContact O-CG2 3.3Å; G258-V339 WeakPolarHBondContact O-CG2 3.48Å
259	P	94.2	Very high	89.2	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.013	26%	0.261	C	S	.	.			trans	-76.5	148.9	-179.9	33.5	-34.4	0	0	0	112.1	V316 L319 N336 L337 C340	P259-V316 VanDerWaalsContact CA-O 3.31Å; P259-V316 WeakPolarHBondContact CA-O 3.36Å; P259-L319 HydrophobicContact CB-CB 3.83Å; P259-L319 HydrophobicContact CG-CB 3.88Å; P259-L319 HydrophobicContact CG-CD2 4.13Å; P259-N336 VanDerWaalsContact CD-O 3.29Å; P259-N336 WeakPolarHBondContact CD-O 3.39Å; P259-L337 HydrophobicContact CG-CD2 3.83Å; P259-C340 WeakPolarHBondContact O-CA 3.46Å; P259-C340 WeakPolarHBondContact O-CB 3.34Å; P259-C340 PolarHBondContact O-N 3.33Å
260	Y	94.6	Very high	89	Confident	28 Å²	28	47.7 Å²	47.7	11%	0.11	24%	0.236	C	C	.	.	S	Bend	trans	-77.4	-42	166.7	179.2	-96.7	0	0	0	111.6	F243 Q247 F253 H317 C340 R341 Y342	F243-Y260 HydrophobicContact CB-CD1 4.49Å; F243-Y260 HydrophobicContact CB-CE1 3.56Å; F243-Y260 HydrophobicContact CD2-CE1 4.5Å; F243-Y260 HydrophobicContact CG-CE1 4.49Å; Q247-Y260 HydrophobicContact CG-CD2 4.08Å; Q247-Y260 HydrophobicContact CG-CE2 3.8Å; F253-Y260 HydrophobicContact CZ-CD2 4.49Å; F253-Y260 HydrophobicContact CZ-CG 4.45Å; Y260-H317 PolarHBondContact N-O 3.32Å; Y260-C340 CarbonylContact O-C 3.47Å; Y260-C340 WeakPolarHBondContact O-CA 3.25Å; Y260-C340 PolarHBondContact O-SG 2.99Å; Y260-R341 HydrophobicContact CD2-CB 4.36Å; Y260-R341 HydrophobicContact CD2-CG 4.5Å; Y260-R341 HydrophobicContact CE2-CB 3.79Å; Y260-R341 HydrophobicContact CE2-CG 4.04Å; Y260-R341 PolarHBondContact O-N 2.89Å; Y260-Y342 PolarHBondContact O-N 3.36Å; Y260-Y342 VanDerWaalsContact O-N 3.14Å
261	G	96.5	Very high	89.1	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	132.4	179.7	0	0	0	0	0	112.9	H317 I318 L319 Y342	G261-H317 PolarHBondContact N-O 3.01Å; G261-I318 CarbonylContact O-C 3.53Å; G261-I318 WeakPolarHBondContact O-CA 3.49Å; G261-L319 PolarHBondContact O-N 2.7Å; G261-Y342 WeakPolarHBondContact CA-O 3.5Å
262	L	97.6	Very high	89.2	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	128.6	174.9	174.8	58.4	0	0	0	110	L264 L319 A321 L326 L337 Y342 L343 V344 I363 F367	L262-L264 HydrophobicContact CD1-CD2 3.89Å; L262-L264 HydrophobicContact CD1-CG 4.47Å; L262-L264 HydrophobicContact CD2-CD2 4.29Å; L262-L264 HydrophobicContact CD2-CG 4.42Å; L262-L264 HydrophobicContact CG-CD2 4.14Å; L262-L264 HydrophobicContact CG-CG 4.23Å; L262-L319 CarbonylContact C-O 3.47Å; L262-L319 WeakPolarHBondContact CA-O 3.41Å; L262-L319 HydrophobicContact CD1-CB 4.1Å; L262-L319 HydrophobicContact CD1-CD2 4.18Å; L262-L319 HydrophobicContact CD1-CG 4.18Å; L262-A321 HydrophobicContact CD1-CB 4.46Å; L262-L326 HydrophobicContact CD1-CD2 3.86Å; L262-L326 HydrophobicContact CD2-CD2 3.58Å; L262-L326 HydrophobicContact CG-CD2 4.37Å; L262-L337 HydrophobicContact CD2-CD1 4.02Å; L262-L337 HydrophobicContact CD2-CD2 4.19Å; L262-Y342 PolarHBondContact N-O 3.37Å; L262-L343 HydrophobicContact CB-CD1 4.09Å; L262-L343 HydrophobicContact CD2-CD1 3.88Å; L262-L343 HydrophobicContact CG-CD1 3.84Å; L262-L343 CarbonylContact O-C 3.57Å; L262-L343 WeakPolarHBondContact O-CA 3.18Å; L262-V344 PolarHBondContact O-N 3.12Å; L262-I363 HydrophobicContact CD2-CG2 4.13Å; L262-F367 HydrophobicContact CD2-CZ 4.2Å
263	V	98.1	Very high	89.2	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.012	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	120.1	172.8	-177.1	0	0	0	0	109.1	F236 T274 I278 L319 V320 A321 V344	F236-V263 HydrophobicContact CD2-CG2 4.4Å; F236-V263 HydrophobicContact CE2-CG1 3.95Å; F236-V263 HydrophobicContact CE2-CG2 4.38Å; F236-V263 HydrophobicContact CZ-CG1 4.38Å; V263-T274 HydrophobicContact CG1-CG2 3.87Å; V263-I278 HydrophobicContact CG2-CD1 4.44Å; V263-L319 PolarHBondContact N-O 3.46Å; V263-V320 HydrophobicContact CB-CG1 4.27Å; V263-V320 HydrophobicContact CB-CG2 4.3Å; V263-V320 HydrophobicContact CG1-CG1 4.38Å; V263-V320 CarbonylContact O-C 3.47Å; V263-V320 WeakPolarHBondContact O-CA 3.42Å; V263-A321 PolarHBondContact O-N 3.44Å; V263-V344 HydrophobicContact CB-CB 4.31Å; V263-V344 HydrophobicContact CG1-CB 4.07Å; V263-V344 HydrophobicContact CG1-CG1 4.27Å; V263-V344 HydrophobicContact CG2-CB 4.1Å; V263-V344 HydrophobicContact CG2-CG2 3.98Å
264	L	96.8	Very high	89.6	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	138.3	175.1	-60.6	-178.3	0	0	0	110.5	L262 A321 L326 L343 V344 L345 D346 M351 V360 I363	L262-L264 HydrophobicContact CD1-CD2 3.89Å; L262-L264 HydrophobicContact CD1-CG 4.47Å; L262-L264 HydrophobicContact CD2-CD2 4.29Å; L262-L264 HydrophobicContact CD2-CG 4.42Å; L262-L264 HydrophobicContact CG-CD2 4.14Å; L262-L264 HydrophobicContact CG-CG 4.23Å; L264-A321 WeakPolarHBondContact CA-O 3.49Å; L264-A321 HydrophobicContact CD2-CB 4.15Å; L264-L326 HydrophobicContact CD2-CD2 3.83Å; L264-L343 HydrophobicContact CD1-CD1 4.28Å; L264-L343 HydrophobicContact CG-CD1 4.33Å; L264-V344 PolarHBondContact N-O 3.38Å; L264-L345 HydrophobicContact CB-CD2 4.07Å; L264-L345 HydrophobicContact CD1-CD2 3.78Å; L264-L345 HydrophobicContact CG-CD2 4.33Å; L264-D346 PolarHBondContact O-N 2.94Å; L264-M351 HydrophobicContact CB-SD 4.32Å; L264-V360 HydrophobicContact CD1-CG2 4.47Å; L264-I363 HydrophobicContact CD1-CD1 3.92Å; L264-I363 HydrophobicContact CD1-CG2 4.38Å
265	G	92.7	Very high	90.2	Very high	3 Å²	3	32.7 Å²	32.7	3%	0.031	15%	0.153	C	C	.	.			trans	-138.2	152.4	169.2	0	0	0	0	0	111.9	S267 A321	G265-S267 VanDerWaalsContact C-N 3.29Å; G265-S267 PolarHBondContact O-N 2.82Å; G265-A321 PolarHBondContact N-O 3.48Å
266	P	87.1	Confident	90.6	Very high	10 Å²	10	31.1 Å²	31.1	7%	0.065	15%	0.145	C	C	.	.	S	Bend	trans	-66.7	-24.3	-176.2	23.8	-35.2	0	0	0	114.2	L270 D346 E347 R350 M351 M354 F356	P266-L270 HydrophobicContact CG-CD2 4.36Å; P266-D346 WeakPolarHBondContact CD-O 3.35Å; P266-E347 HydrophobicContact CG-CB 3.69Å; P266-R350 HydrophobicContact CB-CB 4.36Å; P266-R350 HydrophobicContact CG-CB 4.1Å; P266-M351 HydrophobicContact CB-CG 3.65Å; P266-M351 HydrophobicContact CG-CG 4.12Å; P266-M354 HydrophobicContact CB-SD 3.97Å; P266-F356 HydrophobicContact CB-CE2 4.38Å; P266-F356 WeakPolarHBondContact O-CE2 3.49Å
267	S	85.1	Confident	91.1	Very high	24 Å²	24	29.1 Å²	29.1	17%	0.168	14%	0.136	C	C	.	.	S	Bend	trans	-125.4	150.8	-174.8	74.7	0	0	0	0	112.8	G265 E269 L270 A271	G265-S267 VanDerWaalsContact C-N 3.29Å; G265-S267 PolarHBondContact O-N 2.82Å; S267-E269 PolarHBondContact O-N 3.23Å; S267-L270 PolarHBondContact O-N 3.24Å; S267-L270 VanDerWaalsContact OG-CB 3.27Å; S267-L270 WeakPolarHBondContact OG-CB 3.29Å; S267-L270 PolarHBondContact OG-N 3.45Å; S267-A271 WeakPolarHBondContact O-CB 3.49Å; S267-A271 PolarHBondContact O-N 3.04Å
268	R	85.5	Confident	91.5	Very high	131 Å²	131	26.2 Å²	26.2	49%	0.494	12%	0.122	S	C	.	.	H	α-helix	trans	-58.6	-38.2	176.8	-58.8	-177.6	-173.8	178.4	7.2	111.9	A271 R272 I299 G300 T322	R268-A271 PolarHBondContact O-N 3.27Å; R268-R272 WeakPolarHBondContact O-CB 3.42Å; R268-R272 PolarHBondContact O-N 3.02Å; R268-I299 HydrophobicContact CB-CB 4.21Å; R268-I299 HydrophobicContact CB-CD1 4.12Å; R268-I299 HydrophobicContact CB-CG2 4.4Å; R268-I299 HydrophobicContact CG-CB 4.18Å; R268-G300 VanDerWaalsContact CD-O 3.29Å; R268-G300 WeakPolarHBondContact CD-O 3.48Å; R268-G300 VanDerWaalsContact CZ-C 3.45Å; R268-G300 PolarHBondContact NE-O 2.86Å; R268-G300 PolarHBondContact NH1-O 3.03Å; R268-T322 HydrophobicContact CG-CG2 4.3Å
269	E	80.1	Confident	91.9	Very high	43 Å²	43	27.5 Å²	27.5	20%	0.201	13%	0.13	C	C	.	.	H	α-helix	trans	-79.8	-35.2	-173.9	-54.7	-61.9	-104.1	0	0	112.2	S267 R272 Q273 G497 L498	S267-E269 PolarHBondContact O-N 3.23Å; E269-R272 VanDerWaalsContact CD-NH1 3.26Å; E269-R272 VanDerWaalsContact CD-NH2 3.31Å; E269-R272 PolarHBondContact O-N 3.3Å; E269-R272 IonicContact OE1-CZ 3.52Å; E269-R272 VanDerWaalsContact OE1-CZ 3.27Å; E269-R272 IonicContact OE1-NH1 3.66Å; E269-R272 PolarHBondContact OE1-NH1 3.46Å; E269-R272 IonicContact OE1-NH2 2.73Å; E269-R272 PolarHBondContact OE1-NH2 3.21Å; E269-R272 IonicContact OE2-CZ 2.69Å; E269-R272 IonicContact OE2-NH1 3.63Å; E269-R272 PolarHBondContact OE2-NH1 3.32Å; E269-R272 IonicContact OE2-NH2 3.66Å; E269-Q273 WeakPolarHBondContact O-CG 3.45Å; E269-Q273 PolarHBondContact O-N 3.35Å; E269-G497 WeakPolarHBondContact CB-O 3.38Å; E269-L498 HydrophobicContact CG-CD2 4.17Å
270	L	85.6	Confident	91.8	Very high	14 Å²	14	30.1 Å²	30.1	7%	0.073	15%	0.149	C	C	.	.	H	α-helix	trans	-64.5	-43.1	168.3	-178.4	68.5	0	0	0	110.9	P266 S267 R272 Q273 T274 E347	P266-L270 HydrophobicContact CG-CD2 4.36Å; S267-L270 PolarHBondContact O-N 3.24Å; S267-L270 VanDerWaalsContact OG-CB 3.27Å; S267-L270 WeakPolarHBondContact OG-CB 3.29Å; S267-L270 PolarHBondContact OG-N 3.45Å; L270-R272 VanDerWaalsContact C-N 3.32Å; L270-R272 PolarHBondContact O-N 3.44Å; L270-Q273 PolarHBondContact O-N 2.82Å; L270-T274 WeakPolarHBondContact O-CB 3.29Å; L270-T274 PolarHBondContact O-N 2.83Å; L270-T274 PolarHBondContact O-OG1 2.84Å; L270-E347 HydrophobicContact CD2-CB 4.19Å; L270-E347 HydrophobicContact CD2-CG 3.9Å
271	A	90.2	Very high	91.9	Very high	2 Å²	2	28.9 Å²	28.9	2%	0.017	14%	0.144	C	C	.	.	H	α-helix	trans	-60.8	-40.6	174.7	0	0	0	0	0	111.7	S267 R268 H275 L297 I299 V320 T322	S267-A271 WeakPolarHBondContact O-CB 3.49Å; S267-A271 PolarHBondContact O-N 3.04Å; R268-A271 PolarHBondContact O-N 3.27Å; A271-H275 WeakPolarHBondContact O-CB 3.16Å; A271-H275 PolarHBondContact O-N 3.3Å; A271-L297 HydrophobicContact CB-CD1 4.04Å; A271-L297 WeakPolarHBondContact O-CD1 3.48Å; A271-I299 HydrophobicContact CB-CG2 3.67Å; A271-V320 HydrophobicContact CB-CG1 4.09Å; A271-V320 VanDerWaalsContact O-CG1 3.26Å; A271-V320 WeakPolarHBondContact O-CG1 3.39Å; A271-T322 HydrophobicContact CB-CG2 4.46Å
272	R	90.3	Very high	91.8	Very high	71 Å²	71	29.1 Å²	29.1	27%	0.268	15%	0.145	S	C	.	.	H	α-helix	trans	-63.8	-47.1	174.8	-169.1	178.4	68.1	-129	-11.5	112	R268 E269 L270 T274 H275 E276 L297	R268-R272 WeakPolarHBondContact O-CB 3.42Å; R268-R272 PolarHBondContact O-N 3.02Å; E269-R272 VanDerWaalsContact CD-NH1 3.26Å; E269-R272 VanDerWaalsContact CD-NH2 3.31Å; E269-R272 PolarHBondContact O-N 3.3Å; E269-R272 IonicContact OE1-CZ 3.52Å; E269-R272 VanDerWaalsContact OE1-CZ 3.27Å; E269-R272 IonicContact OE1-NH1 3.66Å; E269-R272 PolarHBondContact OE1-NH1 3.46Å; E269-R272 IonicContact OE1-NH2 2.73Å; E269-R272 PolarHBondContact OE1-NH2 3.21Å; E269-R272 IonicContact OE2-CZ 2.69Å; E269-R272 IonicContact OE2-NH1 3.63Å; E269-R272 PolarHBondContact OE2-NH1 3.32Å; E269-R272 IonicContact OE2-NH2 3.66Å; L270-R272 VanDerWaalsContact C-N 3.32Å; L270-R272 PolarHBondContact O-N 3.44Å; R272-T274 PolarHBondContact O-N 3.5Å; R272-H275 WeakPolarHBondContact O-CB 3.31Å; R272-H275 PolarHBondContact O-N 3.01Å; R272-E276 HydrophobicContact CG-CG 4.42Å; R272-E276 WeakPolarHBondContact CG-OE1 3.09Å; R272-E276 IonicContact NE-OE1 3.65Å; R272-E276 PolarHBondContact NE-OE1 3.07Å; R272-E276 WeakPolarHBondContact O-CG 3.3Å; R272-E276 PolarHBondContact O-N 3.1Å; R272-L297 HydrophobicContact CB-CD2 4.11Å; R272-L297 HydrophobicContact CG-CD2 4.02Å
273	Q	85.9	Confident	91.7	Very high	36 Å²	36	33.3 Å²	33.3	17%	0.168	17%	0.168	C	C	.	.	H	α-helix	trans	-60.1	-45.1	177.2	-77.6	162	29.7	0	0	112.6	E269 L270 H275 E276 V277 G497 D499	E269-Q273 WeakPolarHBondContact O-CG 3.45Å; E269-Q273 PolarHBondContact O-N 3.35Å; L270-Q273 PolarHBondContact O-N 2.82Å; Q273-H275 VanDerWaalsContact C-N 3.31Å; Q273-H275 PolarHBondContact O-N 3.14Å; Q273-E276 PolarHBondContact O-N 2.99Å; Q273-V277 WeakPolarHBondContact O-CG2 3.27Å; Q273-V277 PolarHBondContact O-N 3.33Å; Q273-G497 PolarHBondContact NE2-O 3.06Å; Q273-D499 HydrophobicContact CG-CB 4.49Å
274	T	93.4	Very high	91.5	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.031	18%	0.176	C	C	.	.	H	α-helix	trans	-65	-37.5	178.3	-67.1	0	0	0	0	111.4	T233 F236 V263 L270 R272 I278 V320	T233-T274 HydrophobicContact CG2-CG2 4.46Å; F236-T274 HydrophobicContact CE2-CG2 3.63Å; F236-T274 HydrophobicContact CZ-CG2 3.92Å; V263-T274 HydrophobicContact CG1-CG2 3.87Å; L270-T274 WeakPolarHBondContact O-CB 3.29Å; L270-T274 PolarHBondContact O-N 2.83Å; L270-T274 PolarHBondContact O-OG1 2.84Å; R272-T274 PolarHBondContact O-N 3.5Å; T274-I278 HydrophobicContact CG2-CD1 3.87Å; T274-I278 WeakPolarHBondContact O-CB 3.44Å; T274-I278 WeakPolarHBondContact O-CD1 3.38Å; T274-I278 VanDerWaalsContact O-CG1 3.23Å; T274-I278 WeakPolarHBondContact O-CG1 3.45Å; T274-I278 PolarHBondContact O-N 2.84Å; T274-V320 HydrophobicContact CG2-CG1 4.22Å
275	H	95.5	Very high	91.4	Very high	36 Å²	36	34.2 Å²	34.2	17%	0.167	18%	0.177	C	C	.	.	H	α-helix	trans	-63.1	-47	171.2	178.1	-95.5	0	0	0	112.5	A271 R272 Q273 V277 I278 C279 C295 L297 V320	A271-H275 WeakPolarHBondContact O-CB 3.16Å; A271-H275 PolarHBondContact O-N 3.3Å; R272-H275 WeakPolarHBondContact O-CB 3.31Å; R272-H275 PolarHBondContact O-N 3.01Å; Q273-H275 VanDerWaalsContact C-N 3.31Å; Q273-H275 PolarHBondContact O-N 3.14Å; H275-V277 PolarHBondContact O-N 3.34Å; H275-I278 PolarHBondContact O-N 2.89Å; H275-C279 PolarHBondContact CE1-SG 3.24Å; H275-C279 PolarHBondContact NE2-SG 2.87Å; H275-C279 VanDerWaalsContact NE2-SG 3.44Å; H275-C279 WeakPolarHBondContact O-CB 3.48Å; H275-C279 PolarHBondContact O-N 3.43Å; H275-C279 PolarHBondContact O-SG 2.94Å; H275-C295 PolarHBondContact CD2-SG 3.06Å; H275-C295 PolarHBondContact NE2-O 3.47Å; H275-L297 HydrophobicContact CB-CB 4.37Å; H275-L297 HydrophobicContact CB-CD1 3.94Å; H275-V320 HydrophobicContact CB-CB 4.19Å; H275-V320 HydrophobicContact CB-CG1 4.45Å; H275-V320 HydrophobicContact CB-CG2 4.15Å
276	E	94.3	Very high	91.4	Very high	98 Å²	98	36.7 Å²	36.7	46%	0.458	19%	0.191	S	C	.	.	H	α-helix	trans	-58.1	-45	175.6	-73.3	166.4	-172.8	0	0	111.9	R272 Q273 S280	R272-E276 HydrophobicContact CG-CG 4.42Å; R272-E276 WeakPolarHBondContact CG-OE1 3.09Å; R272-E276 IonicContact NE-OE1 3.65Å; R272-E276 PolarHBondContact NE-OE1 3.07Å; R272-E276 WeakPolarHBondContact O-CG 3.3Å; R272-E276 PolarHBondContact O-N 3.1Å; Q273-E276 PolarHBondContact O-N 2.99Å; E276-S280 VanDerWaalsContact O-CB 3.22Å; E276-S280 WeakPolarHBondContact O-CB 3.1Å; E276-S280 PolarHBondContact O-N 3.36Å
277	V	93	Very high	91.7	Very high	41 Å²	41	45 Å²	45	25%	0.248	23%	0.226	C	C	.	.	H	α-helix	trans	-61.7	-46.6	176.9	169	0	0	0	0	111.3	T233 M234 Q273 H275 L281	T233-V277 HydrophobicContact CG2-CB 4.41Å; T233-V277 HydrophobicContact CG2-CG1 4.04Å; M234-V277 HydrophobicContact CE-CG1 4.12Å; Q273-V277 WeakPolarHBondContact O-CG2 3.27Å; Q273-V277 PolarHBondContact O-N 3.33Å; H275-V277 PolarHBondContact O-N 3.34Å; V277-L281 HydrophobicContact CG1-CD1 4.34Å; V277-L281 WeakPolarHBondContact O-CG 3.23Å; V277-L281 PolarHBondContact O-N 3.14Å; V277-L281 VanDerWaalsContact O-N 3.1Å
278	I	96.5	Very high	92.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.3	-50.2	179	-71.7	166.4	0	0	0	110.7	S237 I241 V263 T274 H275 S280 L281 I282 C295 I318 V320	S237-I278 WeakPolarHBondContact OG-CG1 3.36Å; I241-I278 HydrophobicContact CD1-CG2 4.19Å; I241-I278 HydrophobicContact CG1-CG2 4.26Å; V263-I278 HydrophobicContact CG2-CD1 4.44Å; T274-I278 HydrophobicContact CG2-CD1 3.87Å; T274-I278 WeakPolarHBondContact O-CB 3.44Å; T274-I278 WeakPolarHBondContact O-CD1 3.38Å; T274-I278 VanDerWaalsContact O-CG1 3.23Å; T274-I278 WeakPolarHBondContact O-CG1 3.45Å; T274-I278 PolarHBondContact O-N 2.84Å; H275-I278 PolarHBondContact O-N 2.89Å; I278-S280 PolarHBondContact O-N 3.07Å; I278-L281 WeakPolarHBondContact O-CB 3.23Å; I278-L281 PolarHBondContact O-N 3.07Å; I278-L281 VanDerWaalsContact O-N 3.13Å; I278-I282 HydrophobicContact CG2-CD1 3.71Å; I278-I282 HydrophobicContact CG2-CG1 4.47Å; I278-I282 WeakPolarHBondContact O-CG1 3.31Å; I278-I282 PolarHBondContact O-N 3.26Å; I278-C295 HydrophobicContact CG2-CB 4.12Å; I278-C295 VanDerWaalsContact CG2-SG 3.58Å; I278-I318 HydrophobicContact CD1-CG2 4.36Å; I278-I318 HydrophobicContact CG2-CD1 3.99Å; I278-I318 HydrophobicContact CG2-CG2 4.47Å; I278-V320 HydrophobicContact CD1-CG2 3.98Å
279	C	96	Very high	92.4	Very high	32 Å²	32	43.6 Å²	43.6	22%	0.216	25%	0.251	C	S	.	.	H	α-helix	trans	-58.3	-46.5	177.8	-76	0	0	0	0	111.8	H275 L281 I282 D283	H275-C279 PolarHBondContact CE1-SG 3.24Å; H275-C279 PolarHBondContact NE2-SG 2.87Å; H275-C279 VanDerWaalsContact NE2-SG 3.44Å; H275-C279 WeakPolarHBondContact O-CB 3.48Å; H275-C279 PolarHBondContact O-N 3.43Å; H275-C279 PolarHBondContact O-SG 2.94Å; C279-L281 PolarHBondContact O-N 2.79Å; C279-I282 WeakPolarHBondContact O-CB 3.38Å; C279-I282 PolarHBondContact O-N 2.86Å; C279-I282 VanDerWaalsContact O-N 3.11Å; C279-D283 VanDerWaalsContact O-CG 3.31Å; C279-D283 PolarHBondContact O-N 2.93Å
280	S	94	Very high	93	Very high	57 Å²	57	44.5 Å²	44.5	40%	0.399	25%	0.254	S	S	.	.	H	α-helix	trans	-65	-26.4	178.6	-175.4	0	0	0	0	113.1	R200 E276 I278 G284	R200-S280 VanDerWaalsContact NH2-CB 3.25Å; R200-S280 PolarHBondContact NH2-O 3.25Å; R200-S280 VanDerWaalsContact NH2-O 3.11Å; R200-S280 PolarHBondContact NH2-OG 3.37Å; E276-S280 VanDerWaalsContact O-CB 3.22Å; E276-S280 WeakPolarHBondContact O-CB 3.1Å; E276-S280 PolarHBondContact O-N 3.36Å; I278-S280 PolarHBondContact O-N 3.07Å; S280-G284 PolarHBondContact O-N 2.88Å
281	L	95.1	Very high	93.2	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-74	-44.1	171.6	-74.7	171.2	0	0	0	111.2	L193 L196 R200 M234 I241 V277 I278 C279 G284 L285	L193-L281 HydrophobicContact CD1-CD2 4.35Å; L196-L281 HydrophobicContact CD2-CD2 3.97Å; R200-L281 VanDerWaalsContact NH2-N 3.15Å; M234-L281 HydrophobicContact CE-CD1 4.49Å; M234-L281 HydrophobicContact SD-CD1 3.86Å; I241-L281 HydrophobicContact CD1-CB 3.63Å; I241-L281 HydrophobicContact CD1-CD1 3.96Å; I241-L281 HydrophobicContact CD1-CG 4.47Å; V277-L281 HydrophobicContact CG1-CD1 4.34Å; V277-L281 WeakPolarHBondContact O-CG 3.23Å; V277-L281 PolarHBondContact O-N 3.14Å; V277-L281 VanDerWaalsContact O-N 3.1Å; I278-L281 WeakPolarHBondContact O-CB 3.23Å; I278-L281 PolarHBondContact O-N 3.07Å; I278-L281 VanDerWaalsContact O-N 3.13Å; C279-L281 PolarHBondContact O-N 2.79Å; L281-G284 PolarHBondContact O-N 3.43Å; L281-L285 WeakPolarHBondContact O-CG 3.5Å; L281-L285 PolarHBondContact O-N 3.41Å
282	I	95.8	Very high	93.2	Very high	5 Å²	5	48.9 Å²	48.9	3%	0.026	29%	0.286	C	S	.	.	H	α-helix	trans	-59.4	-49.4	176.1	-66.8	164.4	0	0	0	110.4	I241 I278 C279 G284 L285 V286 I293 C295 I318	I241-I282 HydrophobicContact CD1-CG1 4.02Å; I241-I282 HydrophobicContact CG1-CD1 4.43Å; I241-I282 HydrophobicContact CG1-CG1 4.04Å; I241-I282 HydrophobicContact CG2-CG1 4.21Å; I278-I282 HydrophobicContact CG2-CD1 3.71Å; I278-I282 HydrophobicContact CG2-CG1 4.47Å; I278-I282 WeakPolarHBondContact O-CG1 3.31Å; I278-I282 PolarHBondContact O-N 3.26Å; C279-I282 WeakPolarHBondContact O-CB 3.38Å; C279-I282 PolarHBondContact O-N 2.86Å; C279-I282 VanDerWaalsContact O-N 3.11Å; I282-G284 VanDerWaalsContact C-N 3.26Å; I282-G284 PolarHBondContact O-N 3.11Å; I282-L285 CarbonylContact O-C 3.57Å; I282-L285 PolarHBondContact O-N 2.79Å; I282-V286 HydrophobicContact CG2-CG2 4Å; I282-V286 WeakPolarHBondContact O-CG2 3.48Å; I282-V286 PolarHBondContact O-N 3.19Å; I282-I293 HydrophobicContact CD1-CB 3.93Å; I282-I293 HydrophobicContact CD1-CG2 3.78Å; I282-I293 HydrophobicContact CG1-CB 4.09Å; I282-I293 HydrophobicContact CG1-CG2 4.35Å; I282-I293 HydrophobicContact CG2-CB 4Å; I282-I293 WeakPolarHBondContact CG2-O 3.48Å; I282-C295 HydrophobicContact CD1-CB 4.01Å; I282-I318 HydrophobicContact CD1-CD1 4.35Å
283	D	95	Very high	93.3	Very high	89 Å²	89	45.9 Å²	45.9	48%	0.476	28%	0.275	S	S	.	.	H	α-helix	trans	-57.7	-38.9	-179.5	-70.8	-23.5	0	0	0	112.5	C279 K287	C279-D283 VanDerWaalsContact O-CG 3.31Å; C279-D283 PolarHBondContact O-N 2.93Å; D283-K287 WeakPolarHBondContact O-CB 3.21Å; D283-K287 WeakPolarHBondContact O-CD 3.03Å; D283-K287 VanDerWaalsContact O-CG 3.23Å; D283-K287 WeakPolarHBondContact O-CG 3.22Å; D283-K287 PolarHBondContact O-N 2.84Å; D283-K287 VanDerWaalsContact O-N 3.07Å
284	G	93.5	Very high	93.6	Very high	19 Å²	19	46.9 Å²	46.9	20%	0.196	28%	0.277	C	S	.	.	H	α-helix	trans	-65.7	-37.6	175.6	0	0	0	0	0	112.8	S280 L281 I282 A288	S280-G284 PolarHBondContact O-N 2.88Å; L281-G284 PolarHBondContact O-N 3.43Å; I282-G284 VanDerWaalsContact C-N 3.26Å; I282-G284 PolarHBondContact O-N 3.11Å; G284-A288 PolarHBondContact O-N 2.77Å
285	L	94.5	Very high	93.7	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-74.4	-40.6	176.3	-67.6	171.4	0	0	0	112.3	A192 L193 I241 M245 L281 I282 K287 A288 G289 F290	A192-L285 HydrophobicContact CB-CD2 4Å; L193-L285 HydrophobicContact CB-CD2 4.02Å; I241-L285 HydrophobicContact CG2-CD1 3.86Å; M245-L285 HydrophobicContact CE-CB 3.83Å; M245-L285 HydrophobicContact CE-CD1 3.71Å; M245-L285 HydrophobicContact CE-CG 4.41Å; M245-L285 HydrophobicContact SD-CD1 4.13Å; L281-L285 WeakPolarHBondContact O-CG 3.5Å; L281-L285 PolarHBondContact O-N 3.41Å; I282-L285 CarbonylContact O-C 3.57Å; I282-L285 PolarHBondContact O-N 2.79Å; L285-K287 VanDerWaalsContact C-N 3.32Å; L285-K287 PolarHBondContact O-N 2.81Å; L285-A288 CarbonylContact O-C 3.56Å; L285-A288 WeakPolarHBondContact O-CA 3.2Å; L285-A288 WeakPolarHBondContact O-CB 3.32Å; L285-A288 PolarHBondContact O-N 3.43Å; L285-G289 PolarHBondContact O-N 2.97Å; L285-F290 HydrophobicContact CB-CB 4.06Å; L285-F290 HydrophobicContact CB-CD2 4.38Å; L285-F290 HydrophobicContact CB-CG 4.31Å; L285-F290 HydrophobicContact CD2-CD2 4.35Å; L285-F290 WeakPolarHBondContact O-CB 3.48Å; L285-F290 WeakPolarHBondContact O-CD2 3.41Å; L285-F290 PolarHBondContact O-N 3.49Å; L285-F290 VanDerWaalsContact O-N 3.12Å
286	V	93.6	Very high	93.5	Very high	54 Å²	54	46.2 Å²	46.2	33%	0.327	28%	0.276	S	S	.	.	H	α-helix	trans	-61.2	-41.3	176	172.6	0	0	0	0	110.9	I282 A288 G289	I282-V286 HydrophobicContact CG2-CG2 4Å; I282-V286 WeakPolarHBondContact O-CG2 3.48Å; I282-V286 PolarHBondContact O-N 3.19Å; V286-A288 PolarHBondContact O-N 3.47Å; V286-G289 PolarHBondContact O-N 2.88Å
287	K	93.4	Very high	93.5	Very high	185 Å²	185	42.5 Å²	42.5	80%	0.804	26%	0.259	S	S	*	.	H	α-helix	trans	-60.5	-23.9	171.8	-74	168.4	-174.8	173.5	0	113.6	D283 L285	D283-K287 WeakPolarHBondContact O-CB 3.21Å; D283-K287 WeakPolarHBondContact O-CD 3.03Å; D283-K287 VanDerWaalsContact O-CG 3.23Å; D283-K287 WeakPolarHBondContact O-CG 3.22Å; D283-K287 PolarHBondContact O-N 2.84Å; D283-K287 VanDerWaalsContact O-N 3.07Å; L285-K287 VanDerWaalsContact C-N 3.32Å; L285-K287 PolarHBondContact O-N 2.81Å
288	A	92.7	Very high	93.5	Very high	55 Å²	55	40.5 Å²	40.5	46%	0.455	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	9.7	174.7	0	0	0	0	0	113.9	A192 G284 L285 V286 F290	A192-A288 HydrophobicContact CB-CB 3.44Å; A192-A288 VanDerWaalsContact CB-CB 3.44Å; G284-A288 PolarHBondContact O-N 2.77Å; L285-A288 CarbonylContact O-C 3.56Å; L285-A288 WeakPolarHBondContact O-CA 3.2Å; L285-A288 WeakPolarHBondContact O-CB 3.32Å; L285-A288 PolarHBondContact O-N 3.43Å; V286-A288 PolarHBondContact O-N 3.47Å; A288-F290 HydrophobicContact CB-CD2 4.23Å; A288-F290 HydrophobicContact CB-CE2 4.45Å
289	G	91.7	Very high	93.3	Very high	71 Å²	71	41.1 Å²	41.1	73%	0.732	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.8	10.8	175.3	0	0	0	0	0	115.8	L285 V286	L285-G289 PolarHBondContact O-N 2.97Å; V286-G289 PolarHBondContact O-N 2.88Å
290	F	92.3	Very high	92.7	Very high	61 Å²	61	40.2 Å²	40.2	27%	0.268	25%	0.247	S	C	.	.			trans	-78.3	155.3	174	-72.7	-97	0	0	0	111.7	P190 A192 M245 L285 A288	P190-F290 HydrophobicContact CB-CE1 4.03Å; P190-F290 HydrophobicContact CB-CE2 4.38Å; P190-F290 HydrophobicContact CB-CZ 3.62Å; P190-F290 HydrophobicContact CG-CE1 4.07Å; P190-F290 HydrophobicContact CG-CZ 4.18Å; A192-F290 HydrophobicContact CB-CD2 4.38Å; A192-F290 HydrophobicContact CB-CE2 3.8Å; M245-F290 HydrophobicContact CE-CB 3.96Å; M245-F290 HydrophobicContact SD-CB 4.12Å; M245-F290 HydrophobicContact SD-CD1 4Å; M245-F290 HydrophobicContact SD-CG 4.37Å; L285-F290 HydrophobicContact CB-CB 4.06Å; L285-F290 HydrophobicContact CB-CD2 4.38Å; L285-F290 HydrophobicContact CB-CG 4.31Å; L285-F290 HydrophobicContact CD2-CD2 4.35Å; L285-F290 WeakPolarHBondContact O-CB 3.48Å; L285-F290 WeakPolarHBondContact O-CD2 3.41Å; L285-F290 PolarHBondContact O-N 3.49Å; L285-F290 VanDerWaalsContact O-N 3.12Å; A288-F290 HydrophobicContact CB-CD2 4.23Å; A288-F290 HydrophobicContact CB-CE2 4.45Å
291	P	89.9	Confident	92	Very high	36 Å²	36	40.7 Å²	40.7	23%	0.234	26%	0.261	C	S	.	.			trans	-60.8	149.6	178.1	26.1	-36.1	0	0	0	112.3	M245 E248 Q249 I293	M245-P291 HydrophobicContact CB-CG 4.37Å; M245-P291 HydrophobicContact CG-CG 4.23Å; E248-P291 HydrophobicContact CG-CB 4.33Å; Q249-P291 HydrophobicContact CG-CG 4.09Å; P291-I293 PolarHBondContact O-N 3.42Å
292	S	90.2	Very high	91.5	Very high	73 Å²	73	44.2 Å²	44.2	51%	0.51	28%	0.278	S	S	.	.			trans	-76.7	109.2	-177.7	-173.2	0	0	0	0	112	H317	S292-H317 PolarHBondContact O-CE1 3.2Å
293	I	93.3	Very high	91	Very high	8 Å²	8	46.2 Å²	46.2	4%	0.041	30%	0.295	C	S	.	.			trans	-88.3	133.4	175.8	-59	-52.2	0	0	0	110.2	M245 E248 I282 P291 H317 I318	M245-I293 HydrophobicContact CB-CD1 4.46Å; M245-I293 HydrophobicContact CE-CG1 3.77Å; M245-I293 HydrophobicContact CG-CD1 3.74Å; M245-I293 HydrophobicContact CG-CG1 3.53Å; E248-I293 HydrophobicContact CB-CD1 4.25Å; I282-I293 HydrophobicContact CD1-CB 3.93Å; I282-I293 HydrophobicContact CD1-CG2 3.78Å; I282-I293 HydrophobicContact CG1-CB 4.09Å; I282-I293 HydrophobicContact CG1-CG2 4.35Å; I282-I293 HydrophobicContact CG2-CB 4Å; I282-I293 WeakPolarHBondContact CG2-O 3.48Å; P291-I293 PolarHBondContact O-N 3.42Å; I293-H317 HydrophobicContact CG2-CB 3.82Å; I293-I318 HydrophobicContact CG2-CD1 3.83Å; I293-I318 HydrophobicContact CG2-CG1 4.26Å
294	R	92.4	Very high	90.5	Very high	56 Å²	56	43.9 Å²	43.9	21%	0.211	28%	0.284	C	S	.	.			trans	-103.3	111.9	-172.1	-59.2	-175.7	-67.3	-80.1	9.8	109.1	E248 F253 S314 G315 H317 I318	E248-R294 IonicContact OE1-CZ 3.92Å; E248-R294 IonicContact OE1-NH1 2.89Å; E248-R294 PolarHBondContact OE1-NH1 3.34Å; E248-R294 IonicContact OE1-NH2 3.72Å; F253-R294 PolarHBondContact O-NH2 3.49Å; R294-S314 VanDerWaalsContact CZ-O 3.3Å; R294-S314 PolarHBondContact NE-O 3.19Å; R294-S314 PolarHBondContact NH2-O 2.8Å; R294-S314 VanDerWaalsContact NH2-O 3.07Å; R294-G315 PolarHBondContact NE-O 2.88Å; R294-H317 PolarHBondContact N-ND1 3.28Å; R294-H317 PolarHBondContact NH1-CE1 3.32Å; R294-H317 PolarHBondContact O-N 3.46Å; R294-I318 PolarHBondContact O-N 2.97Å
295	C	94.3	Very high	90.1	Very high	23 Å²	23	50.5 Å²	50.5	16%	0.155	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.1	-178	-171	0	0	0	0	111.2	H275 I278 I282 I318	H275-C295 PolarHBondContact CD2-SG 3.06Å; H275-C295 PolarHBondContact NE2-O 3.47Å; I278-C295 HydrophobicContact CG2-CB 4.12Å; I278-C295 VanDerWaalsContact CG2-SG 3.58Å; I282-C295 HydrophobicContact CD1-CB 4.01Å; C295-I318 CarbonylContact C-O 3.43Å; C295-I318 VanDerWaalsContact CA-O 3.29Å; C295-I318 WeakPolarHBondContact CA-O 3.31Å; C295-I318 HydrophobicContact CB-CB 4.27Å
296	C	93.2	Very high	89.6	Confident	5 Å²	5	56 Å²	56	3%	0.034	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	145.1	-175.9	-172.6	0	0	0	0	112.1	I310 V316 I318 L319 V320	C296-I310 HydrophobicContact CB-CG2 4.41Å; C296-V316 HydrophobicContact CB-CB 4.44Å; C296-V316 HydrophobicContact CB-CG1 3.75Å; C296-V316 HydrophobicContact CB-CG2 3.78Å; C296-I318 PolarHBondContact N-O 3.04Å; C296-L319 HydrophobicContact CB-CD1 3.86Å; C296-V320 PolarHBondContact O-N 3.46Å
297	L	94.2	Very high	89.1	Confident	19 Å²	19	53.6 Å²	53.6	10%	0.099	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	118.1	177.8	-177.7	63.1	0	0	0	111.1	A271 R272 H275 I299 M302 Q307 V320	A271-L297 HydrophobicContact CB-CD1 4.04Å; A271-L297 WeakPolarHBondContact O-CD1 3.48Å; R272-L297 HydrophobicContact CB-CD2 4.11Å; R272-L297 HydrophobicContact CG-CD2 4.02Å; H275-L297 HydrophobicContact CB-CB 4.37Å; H275-L297 HydrophobicContact CB-CD1 3.94Å; L297-I299 HydrophobicContact CD1-CG2 3.66Å; L297-I299 HydrophobicContact CD2-CD1 3.92Å; L297-I299 HydrophobicContact CD2-CG1 4.26Å; L297-I299 HydrophobicContact CG-CD1 4.28Å; L297-I299 HydrophobicContact CG-CG1 4.1Å; L297-I299 HydrophobicContact CG-CG2 4.07Å; L297-M302 HydrophobicContact CD2-SD 4.33Å; L297-M302 HydrophobicContact CG-SD 4.42Å; L297-Q307 PolarHBondContact O-NE2 3.03Å; L297-Q307 VanDerWaalsContact O-NE2 3.11Å; L297-V320 CarbonylContact C-O 3.58Å; L297-V320 WeakPolarHBondContact CA-O 3.47Å; L297-V320 HydrophobicContact CD1-CB 4.32Å; L297-V320 HydrophobicContact CD1-CG1 4.42Å
298	C	93	Very high	88.5	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	78.2	-178.5	-82.6	0	0	0	0	112.2	L319 V320 A321 T322 R325 L329	C298-L319 HydrophobicContact CB-CD1 4.07Å; C298-V320 PolarHBondContact N-O 2.93Å; C298-A321 HydrophobicContact CB-CB 3.84Å; C298-A321 VanDerWaalsContact O-CA 3.31Å; C298-A321 WeakPolarHBondContact O-CA 3.28Å; C298-A321 WeakPolarHBondContact O-CB 3.49Å; C298-T322 PolarHBondContact O-N 2.93Å; C298-R325 HydrophobicContact CB-CG 4.46Å; C298-R325 WeakPolarHBondContact O-CG 3.41Å; C298-L329 HydrophobicContact CB-CD1 3.92Å; C298-L329 WeakPolarHBondContact SG-CD1 3.45Å
299	I	92	Very high	88.1	Confident	13 Å²	13	44.7 Å²	44.7	7%	0.067	27%	0.274	C	S	.	.			trans	-115.6	155.8	179	61.1	171.4	0	0	0	112.5	R268 A271 L297 M302 Q307 T322 R325	R268-I299 HydrophobicContact CB-CB 4.21Å; R268-I299 HydrophobicContact CB-CD1 4.12Å; R268-I299 HydrophobicContact CB-CG2 4.4Å; R268-I299 HydrophobicContact CG-CB 4.18Å; A271-I299 HydrophobicContact CB-CG2 3.67Å; L297-I299 HydrophobicContact CD1-CG2 3.66Å; L297-I299 HydrophobicContact CD2-CD1 3.92Å; L297-I299 HydrophobicContact CD2-CG1 4.26Å; L297-I299 HydrophobicContact CG-CD1 4.28Å; L297-I299 HydrophobicContact CG-CG1 4.1Å; L297-I299 HydrophobicContact CG-CG2 4.07Å; I299-M302 HydrophobicContact CD1-CG 4.4Å; I299-M302 HydrophobicContact CD1-SD 4.07Å; I299-M302 HydrophobicContact CG1-CG 3.97Å; I299-M302 HydrophobicContact CG1-SD 3.58Å; I299-M302 VanDerWaalsContact CG1-SD 3.58Å; I299-Q307 PolarHBondContact O-NE2 3.07Å; I299-T322 HydrophobicContact CG2-CG2 4.1Å; I299-R325 PolarHBondContact O-NH1 2.91Å
300	G	82.6	Confident	87.6	Confident	13 Å²	13	45.3 Å²	45.3	13%	0.134	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	153	170.9	0	0	0	0	0	112.8	R268 M302	R268-G300 VanDerWaalsContact CD-O 3.29Å; R268-G300 WeakPolarHBondContact CD-O 3.48Å; R268-G300 VanDerWaalsContact CZ-C 3.45Å; R268-G300 PolarHBondContact NE-O 2.86Å; R268-G300 PolarHBondContact NH1-O 3.03Å; G300-M302 VanDerWaalsContact C-N 3.3Å; G300-M302 PolarHBondContact O-N 2.96Å
301	G	80.3	Confident	87.1	Confident	67 Å²	67	42.5 Å²	42.5	69%	0.691	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.4	-30.2	-178.7	0	0	0	0	0	114.7
302	M	84	Confident	86.6	Confident	75 Å²	75	47.1 Å²	47.1	37%	0.369	26%	0.264	S	S	.	.	S	Bend	trans	-74.5	154	169.4	-64.9	179.3	77.3	0	0	111.6	L297 I299 G300 V304 Q307 R325	L297-M302 HydrophobicContact CD2-SD 4.33Å; L297-M302 HydrophobicContact CG-SD 4.42Å; I299-M302 HydrophobicContact CD1-CG 4.4Å; I299-M302 HydrophobicContact CD1-SD 4.07Å; I299-M302 HydrophobicContact CG1-CG 3.97Å; I299-M302 HydrophobicContact CG1-SD 3.58Å; I299-M302 VanDerWaalsContact CG1-SD 3.58Å; G300-M302 VanDerWaalsContact C-N 3.3Å; G300-M302 PolarHBondContact O-N 2.96Å; M302-V304 PolarHBondContact O-N 2.81Å; M302-Q307 PolarHBondContact SD-NE2 3.03Å; M302-R325 PolarHBondContact O-NH1 3.15Å; M302-R325 PolarHBondContact O-NH2 3.03Å; M302-R325 VanDerWaalsContact O-NH2 3.08Å
303	A	84.1	Confident	86.2	Confident	47 Å²	47	51.4 Å²	51.4	39%	0.388	27%	0.269	S	S	.	.			trans	-66.9	125.9	177.6	0	0	0	0	0	111.4	K305 E306 Q307	A303-K305 PolarHBondContact O-N 3.33Å; A303-E306 HydrophobicContact CB-CB 4.42Å; A303-E306 HydrophobicContact CB-CG 4Å; A303-E306 PolarHBondContact O-N 3.13Å; A303-Q307 PolarHBondContact O-N 2.69Å
304	V	85.9	Confident	85.4	Confident	40 Å²	40	53.4 Å²	53.4	24%	0.242	28%	0.284	C	S	.	.	H	α-helix	trans	-58.4	-37.1	-179.2	172.2	0	0	0	0	111.8	M302 A308 L329 M334	M302-V304 PolarHBondContact O-N 2.81Å; V304-A308 WeakPolarHBondContact O-CB 3.47Å; V304-A308 PolarHBondContact O-N 2.89Å; V304-L329 HydrophobicContact CG1-CD2 3.85Å; V304-M334 HydrophobicContact CG1-CE 3.37Å; V304-M334 HydrophobicContact CG1-SD 4.43Å
305	K	83.9	Confident	85	Confident	157 Å²	157	50.9 Å²	50.9	68%	0.683	28%	0.275	S	S	*	.	H	α-helix	trans	-65.8	-40.5	-179.2	-172.6	178.8	177.3	-174.6	0	112.6	A303 A308 D309	A303-K305 PolarHBondContact O-N 3.33Å; K305-A308 PolarHBondContact O-N 2.84Å; K305-D309 VanDerWaalsContact O-CB 3.29Å; K305-D309 WeakPolarHBondContact O-CB 3.27Å; K305-D309 PolarHBondContact O-N 2.73Å
306	E	83.9	Confident	84.8	Confident	119 Å²	119	50 Å²	50	56%	0.556	27%	0.268	S	S	*	.	H	α-helix	trans	-65.5	-46	-179.9	-66.1	171.5	170.5	0	0	111	A303 A308 D309 I310	A303-E306 HydrophobicContact CB-CB 4.42Å; A303-E306 HydrophobicContact CB-CG 4Å; A303-E306 PolarHBondContact O-N 3.13Å; E306-A308 PolarHBondContact O-N 3.36Å; E306-D309 PolarHBondContact O-N 2.79Å; E306-I310 VanDerWaalsContact O-CG1 3.32Å; E306-I310 WeakPolarHBondContact O-CG1 3.27Å; E306-I310 PolarHBondContact O-N 2.58Å
307	Q	83.4	Confident	84.9	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.009	27%	0.267	C	S	.	.	H	α-helix	trans	-59.6	-46	175.1	-71.2	174.1	-16.9	0	0	111.7	L297 I299 M302 A303 V311	L297-Q307 PolarHBondContact O-NE2 3.03Å; L297-Q307 VanDerWaalsContact O-NE2 3.11Å; I299-Q307 PolarHBondContact O-NE2 3.07Å; M302-Q307 PolarHBondContact SD-NE2 3.03Å; A303-Q307 PolarHBondContact O-N 2.69Å; Q307-V311 PolarHBondContact O-N 3.3Å
308	A	80.7	Confident	85	Confident	13 Å²	13	48.8 Å²	48.8	11%	0.107	26%	0.262	C	S	.	.	H	α-helix	trans	-67.4	-39.8	178	0	0	0	0	0	113	V304 K305 E306 I310 V311 K312 M334	V304-A308 WeakPolarHBondContact O-CB 3.47Å; V304-A308 PolarHBondContact O-N 2.89Å; K305-A308 PolarHBondContact O-N 2.84Å; E306-A308 PolarHBondContact O-N 3.36Å; A308-I310 PolarHBondContact O-N 3.25Å; A308-V311 PolarHBondContact O-N 2.79Å; A308-K312 WeakPolarHBondContact O-CB 3.44Å; A308-K312 PolarHBondContact O-N 3.08Å; A308-M334 HydrophobicContact CB-CB 4.1Å; A308-M334 HydrophobicContact CB-CE 4.4Å; A308-M334 HydrophobicContact CB-SD 4.04Å
309	D	84	Confident	85.1	Confident	41 Å²	41	48.9 Å²	48.9	22%	0.219	26%	0.262	C	S	.	.	H	α-helix	trans	-64.6	-37.5	177.9	-96	-45.2	0	0	0	111.6	K305 E306 R313	K305-D309 VanDerWaalsContact O-CB 3.29Å; K305-D309 WeakPolarHBondContact O-CB 3.27Å; K305-D309 PolarHBondContact O-N 2.73Å; E306-D309 PolarHBondContact O-N 2.79Å; D309-R313 VanDerWaalsContact O-CB 3.26Å; D309-R313 WeakPolarHBondContact O-CB 3.26Å; D309-R313 WeakPolarHBondContact O-CG 3.5Å; D309-R313 PolarHBondContact O-N 3.03Å; D309-R313 IonicContact OD1-CZ 2.73Å; D309-R313 IonicContact OD1-NE 3.31Å; D309-R313 PolarHBondContact OD1-NE 3.04Å; D309-R313 IonicContact OD1-NH2 3.85Å; D309-R313 PolarHBondContact OD1-NH2 3.18Å; D309-R313 IonicContact OD2-NH2 3.99Å; D309-R313 PolarHBondContact OD2-NH2 3.11Å
310	I	82.1	Confident	85.4	Confident	83 Å²	83	48.3 Å²	48.3	43%	0.426	26%	0.26	S	S	.	.	H	α-helix	trans	-60.4	-56.1	173.8	-68.6	163.1	0	0	0	110.2	C296 E306 A308 K312 R313 S314 V316	C296-I310 HydrophobicContact CB-CG2 4.41Å; E306-I310 VanDerWaalsContact O-CG1 3.32Å; E306-I310 WeakPolarHBondContact O-CG1 3.27Å; E306-I310 PolarHBondContact O-N 2.58Å; A308-I310 PolarHBondContact O-N 3.25Å; I310-K312 VanDerWaalsContact C-N 3.28Å; I310-K312 PolarHBondContact O-N 2.82Å; I310-R313 PolarHBondContact O-N 3.45Å; I310-S314 PolarHBondContact O-N 3.26Å; I310-S314 PolarHBondContact O-OG 3.39Å; I310-V316 HydrophobicContact CG2-CG2 4.04Å
311	V	81.1	Confident	86	Confident	3 Å²	3	47.7 Å²	47.7	2%	0.018	25%	0.253	C	S	.	.	H	α-helix	trans	-59.8	-40.7	-178.3	178.9	0	0	0	0	111.5	Q307 A308 G315 V316 I335	Q307-V311 PolarHBondContact O-N 3.3Å; A308-V311 PolarHBondContact O-N 2.79Å; V311-G315 WeakPolarHBondContact O-CA 3.3Å; V311-G315 PolarHBondContact O-N 3.41Å; V311-V316 HydrophobicContact CB-CG2 4.43Å; V311-V316 HydrophobicContact CG2-CB 4.48Å; V311-V316 HydrophobicContact CG2-CG2 3.94Å; V311-I335 HydrophobicContact CB-CG1 4.32Å; V311-I335 HydrophobicContact CG1-CG1 4.1Å; V311-I335 HydrophobicContact CG2-CD1 3.85Å; V311-I335 HydrophobicContact CG2-CG1 4.14Å
312	K	80.9	Confident	86.6	Confident	132 Å²	132	45.3 Å²	45.3	57%	0.574	23%	0.225	S	C	*	.	H	α-helix	trans	-71.6	-40.2	-177.9	-172.4	174.2	-178.4	177.5	0	113.6	Q255 A308 I310	Q255-K312 WeakPolarHBondContact CB-O 3.44Å; A308-K312 WeakPolarHBondContact O-CB 3.44Å; A308-K312 PolarHBondContact O-N 3.08Å; I310-K312 VanDerWaalsContact C-N 3.28Å; I310-K312 PolarHBondContact O-N 2.82Å
313	R	80.9	Confident	87.1	Confident	163 Å²	163	41.8 Å²	41.8	62%	0.615	21%	0.208	S	C	*	.	H	α-helix	trans	-88.6	-39	-170.3	-66	178	-165.9	-162.6	8.3	114.3	Q255 D309 I310	Q255-R313 WeakPolarHBondContact CG-O 3.37Å; Q255-R313 PolarHBondContact NE2-O 3.03Å; D309-R313 VanDerWaalsContact O-CB 3.26Å; D309-R313 WeakPolarHBondContact O-CB 3.26Å; D309-R313 WeakPolarHBondContact O-CG 3.5Å; D309-R313 PolarHBondContact O-N 3.03Å; D309-R313 IonicContact OD1-CZ 2.73Å; D309-R313 IonicContact OD1-NE 3.31Å; D309-R313 PolarHBondContact OD1-NE 3.04Å; D309-R313 IonicContact OD1-NH2 3.85Å; D309-R313 PolarHBondContact OD1-NH2 3.18Å; D309-R313 IonicContact OD2-NH2 3.99Å; D309-R313 PolarHBondContact OD2-NH2 3.11Å; I310-R313 PolarHBondContact O-N 3.45Å
314	S	76.7	Confident	87.5	Confident	51 Å²	51	41.4 Å²	41.4	36%	0.357	21%	0.209	S	C	.	.	H	α-helix	trans	-103.6	-16.3	-177.9	61.3	0	0	0	0	113.7	R294 I310	R294-S314 VanDerWaalsContact CZ-O 3.3Å; R294-S314 PolarHBondContact NE-O 3.19Å; R294-S314 PolarHBondContact NH2-O 2.8Å; R294-S314 VanDerWaalsContact NH2-O 3.07Å; I310-S314 PolarHBondContact O-N 3.26Å; I310-S314 PolarHBondContact O-OG 3.39Å
315	G	83.2	Confident	87.8	Confident	3 Å²	3	41.3 Å²	41.3	3%	0.031	20%	0.204	C	C	.	.			trans	66	158.6	-158.4	0	0	0	0	0	110.9	R294 V311	R294-G315 PolarHBondContact NE-O 2.88Å; V311-G315 WeakPolarHBondContact O-CA 3.3Å; V311-G315 PolarHBondContact O-N 3.41Å
316	V	90.8	Very high	88.3	Confident	3 Å²	3	33.8 Å²	33.8	2%	0.018	17%	0.171	C	C	.	.			trans	-138	133.6	-175.9	165.3	0	0	0	0	107.5	P259 C296 I310 V311 I318	P259-V316 VanDerWaalsContact CA-O 3.31Å; P259-V316 WeakPolarHBondContact CA-O 3.36Å; C296-V316 HydrophobicContact CB-CB 4.44Å; C296-V316 HydrophobicContact CB-CG1 3.75Å; C296-V316 HydrophobicContact CB-CG2 3.78Å; I310-V316 HydrophobicContact CG2-CG2 4.04Å; V311-V316 HydrophobicContact CB-CG2 4.43Å; V311-V316 HydrophobicContact CG2-CB 4.48Å; V311-V316 HydrophobicContact CG2-CG2 3.94Å; V316-I318 WeakPolarHBondContact CG1-O 3.46Å
317	H	94.6	Very high	88.8	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	-88.1	-41.6	175.9	-56.5	99.2	0	0	0	111.5	E248 F253 Y260 G261 S292 I293 R294	E248-H317 WeakPolarHBondContact CB-NE2 3.32Å; E248-H317 WeakPolarHBondContact CG-NE2 3.43Å; E248-H317 IonicContact OE1-CE1 2.75Å; E248-H317 PolarHBondContact OE1-CE1 3.12Å; E248-H317 IonicContact OE1-NE2 3.54Å; E248-H317 PolarHBondContact OE1-NE2 2.99Å; E248-H317 IonicContact OE2-CD2 3.45Å; E248-H317 IonicContact OE2-CE1 2.81Å; E248-H317 IonicContact OE2-NE2 2.97Å; E248-H317 PolarHBondContact OE2-NE2 2.91Å; F253-H317 WeakPolarHBondContact CB-NE2 3.3Å; F253-H317 AromaticContact CD1-CD2 3.88Å; F253-H317 AromaticContact CD2-CD2 3.41Å; F253-H317 VanDerWaalsContact CD2-CD2 3.41Å; F253-H317 WeakPolarHBondContact CD2-CD2 3.38Å; F253-H317 AromaticContact CD2-NE2 3.09Å; F253-H317 WeakPolarHBondContact CD2-NE2 3.32Å; F253-H317 AromaticContact CE2-CD2 3.67Å; F253-H317 AromaticContact CE2-NE2 3.93Å; F253-H317 AromaticContact CG-CD2 3.54Å; F253-H317 AromaticContact CG-NE2 3.42Å; F253-H317 WeakPolarHBondContact CG-NE2 3.42Å; Y260-H317 PolarHBondContact N-O 3.32Å; G261-H317 PolarHBondContact N-O 3.01Å; S292-H317 PolarHBondContact O-CE1 3.2Å; I293-H317 HydrophobicContact CG2-CB 3.82Å; R294-H317 PolarHBondContact N-ND1 3.28Å; R294-H317 PolarHBondContact NH1-CE1 3.32Å; R294-H317 PolarHBondContact O-N 3.46Å
318	I	96.3	Very high	89.2	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.8	-174.1	-55.6	170.5	0	0	0	109.3	V240 I241 G261 I278 I282 I293 R294 C295 C296 V316 V320	V240-I318 HydrophobicContact CG1-CD1 4.01Å; V240-I318 HydrophobicContact CG2-CD1 4.36Å; V240-I318 HydrophobicContact CG2-CG1 4.13Å; I241-I318 HydrophobicContact CG1-CD1 3.92Å; G261-I318 CarbonylContact O-C 3.53Å; G261-I318 WeakPolarHBondContact O-CA 3.49Å; I278-I318 HydrophobicContact CD1-CG2 4.36Å; I278-I318 HydrophobicContact CG2-CD1 3.99Å; I278-I318 HydrophobicContact CG2-CG2 4.47Å; I282-I318 HydrophobicContact CD1-CD1 4.35Å; I293-I318 HydrophobicContact CG2-CD1 3.83Å; I293-I318 HydrophobicContact CG2-CG1 4.26Å; R294-I318 PolarHBondContact O-N 2.97Å; C295-I318 CarbonylContact C-O 3.43Å; C295-I318 VanDerWaalsContact CA-O 3.29Å; C295-I318 WeakPolarHBondContact CA-O 3.31Å; C295-I318 HydrophobicContact CB-CB 4.27Å; C296-I318 PolarHBondContact N-O 3.04Å; V316-I318 WeakPolarHBondContact CG1-O 3.46Å; I318-V320 HydrophobicContact CG2-CG2 4.46Å
319	L	95.9	Very high	89.8	Confident	1 Å²	1	30 Å²	30	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	124.5	175.6	-170.5	62.8	0	0	0	109.4	P259 G261 L262 V263 C296 C298 L326 I335	P259-L319 HydrophobicContact CB-CB 3.83Å; P259-L319 HydrophobicContact CG-CB 3.88Å; P259-L319 HydrophobicContact CG-CD2 4.13Å; G261-L319 PolarHBondContact O-N 2.7Å; L262-L319 CarbonylContact C-O 3.47Å; L262-L319 WeakPolarHBondContact CA-O 3.41Å; L262-L319 HydrophobicContact CD1-CB 4.1Å; L262-L319 HydrophobicContact CD1-CD2 4.18Å; L262-L319 HydrophobicContact CD1-CG 4.18Å; V263-L319 PolarHBondContact N-O 3.46Å; C296-L319 HydrophobicContact CB-CD1 3.86Å; C298-L319 HydrophobicContact CB-CD1 4.07Å; L319-L326 HydrophobicContact CD2-CD1 3.73Å; L319-I335 HydrophobicContact CD2-CD1 4.21Å; L319-I335 HydrophobicContact CD2-CG2 4.25Å
320	V	97.3	Very high	90.2	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	123.6	171.8	-170.1	0	0	0	0	107.9	V263 A271 T274 H275 I278 C296 L297 C298 I318	V263-V320 HydrophobicContact CB-CG1 4.27Å; V263-V320 HydrophobicContact CB-CG2 4.3Å; V263-V320 HydrophobicContact CG1-CG1 4.38Å; V263-V320 CarbonylContact O-C 3.47Å; V263-V320 WeakPolarHBondContact O-CA 3.42Å; A271-V320 HydrophobicContact CB-CG1 4.09Å; A271-V320 VanDerWaalsContact O-CG1 3.26Å; A271-V320 WeakPolarHBondContact O-CG1 3.39Å; T274-V320 HydrophobicContact CG2-CG1 4.22Å; H275-V320 HydrophobicContact CB-CB 4.19Å; H275-V320 HydrophobicContact CB-CG1 4.45Å; H275-V320 HydrophobicContact CB-CG2 4.15Å; I278-V320 HydrophobicContact CD1-CG2 3.98Å; C296-V320 PolarHBondContact O-N 3.46Å; L297-V320 CarbonylContact C-O 3.58Å; L297-V320 WeakPolarHBondContact CA-O 3.47Å; L297-V320 HydrophobicContact CD1-CB 4.32Å; L297-V320 HydrophobicContact CD1-CG1 4.42Å; C298-V320 PolarHBondContact N-O 2.93Å; I318-V320 HydrophobicContact CG2-CG2 4.46Å
321	A	95.5	Very high	90.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	158.2	-168.8	0	0	0	0	0	114.6	L262 V263 L264 G265 C298 L326	L262-A321 HydrophobicContact CD1-CB 4.46Å; V263-A321 PolarHBondContact O-N 3.44Å; L264-A321 WeakPolarHBondContact CA-O 3.49Å; L264-A321 HydrophobicContact CD2-CB 4.15Å; G265-A321 PolarHBondContact N-O 3.48Å; C298-A321 HydrophobicContact CB-CB 3.84Å; C298-A321 VanDerWaalsContact O-CA 3.31Å; C298-A321 WeakPolarHBondContact O-CA 3.28Å; C298-A321 WeakPolarHBondContact O-CB 3.49Å; A321-L326 HydrophobicContact CB-CB 4.1Å
322	T	93.8	Very high	91.2	Very high	17 Å²	17	37 Å²	37	10%	0.104	18%	0.176	C	C	.	.			trans	-93.7	137.8	162.9	49.1	0	0	0	0	110	R268 A271 C298 I299 G324 R325 L326	R268-T322 HydrophobicContact CG-CG2 4.3Å; A271-T322 HydrophobicContact CB-CG2 4.46Å; C298-T322 PolarHBondContact O-N 2.93Å; I299-T322 HydrophobicContact CG2-CG2 4.1Å; T322-G324 PolarHBondContact O-N 3.16Å; T322-R325 PolarHBondContact O-N 3.24Å; T322-R325 VanDerWaalsContact O-N 3.14Å; T322-L326 PolarHBondContact O-N 3.26Å; T322-L326 VanDerWaalsContact O-N 3.12Å
323	P	93.8	Very high	91.6	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	19%	0.187	C	C	.	.	H	α-helix	trans	-47.4	-60	-172	-31.7	36.1	0	0	0	115.4	R325 L326 I327 M351 F356 E359 V360 I363	P323-R325 VanDerWaalsContact C-N 3.31Å; P323-R325 PolarHBondContact O-N 2.91Å; P323-L326 WeakPolarHBondContact O-CB 3.39Å; P323-L326 PolarHBondContact O-N 3.02Å; P323-I327 WeakPolarHBondContact O-CG1 3.43Å; P323-I327 PolarHBondContact O-N 3.05Å; P323-M351 HydrophobicContact CG-SD 4.2Å; P323-F356 HydrophobicContact CG-CB 4.38Å; P323-E359 HydrophobicContact CB-CB 3.98Å; P323-V360 HydrophobicContact CG-CG2 4.18Å; P323-I363 HydrophobicContact CB-CD1 3.92Å
324	G	91.9	Very high	92	Very high	39 Å²	39	34.3 Å²	34.3	40%	0.402	17%	0.17	S	C	.	.	H	α-helix	trans	-56.7	-34.4	-179.5	0	0	0	0	0	115.7	T322 D328 E359	T322-G324 PolarHBondContact O-N 3.16Å; G324-D328 PolarHBondContact O-N 2.97Å; G324-E359 PolarHBondContact N-OE2 3.08Å
325	R	92.3	Very high	92.7	Very high	38 Å²	38	32.2 Å²	32.2	14%	0.143	16%	0.155	C	C	.	.	H	α-helix	trans	-72	-39.7	173.9	174	56.1	68.4	97.9	-6.3	111.2	C298 I299 M302 T322 P323 I327 D328 L329	C298-R325 HydrophobicContact CB-CG 4.46Å; C298-R325 WeakPolarHBondContact O-CG 3.41Å; I299-R325 PolarHBondContact O-NH1 2.91Å; M302-R325 PolarHBondContact O-NH1 3.15Å; M302-R325 PolarHBondContact O-NH2 3.03Å; M302-R325 VanDerWaalsContact O-NH2 3.08Å; T322-R325 PolarHBondContact O-N 3.24Å; T322-R325 VanDerWaalsContact O-N 3.14Å; P323-R325 VanDerWaalsContact C-N 3.31Å; P323-R325 PolarHBondContact O-N 2.91Å; R325-I327 VanDerWaalsContact C-N 3.33Å; R325-I327 PolarHBondContact O-N 2.68Å; R325-D328 PolarHBondContact O-N 3.35Å; R325-L329 HydrophobicContact CG-CD1 4.19Å; R325-L329 VanDerWaalsContact O-CG 3.31Å; R325-L329 WeakPolarHBondContact O-CG 3.42Å; R325-L329 PolarHBondContact O-N 2.75Å
326	L	95.1	Very high	93.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.2	-43	176.7	179.8	61.1	0	0	0	111.3	L262 L264 L319 A321 T322 P323 D328 L329 L330 I363	L262-L326 HydrophobicContact CD1-CD2 3.86Å; L262-L326 HydrophobicContact CD2-CD2 3.58Å; L262-L326 HydrophobicContact CG-CD2 4.37Å; L264-L326 HydrophobicContact CD2-CD2 3.83Å; L319-L326 HydrophobicContact CD2-CD1 3.73Å; A321-L326 HydrophobicContact CB-CB 4.1Å; T322-L326 PolarHBondContact O-N 3.26Å; T322-L326 VanDerWaalsContact O-N 3.12Å; P323-L326 WeakPolarHBondContact O-CB 3.39Å; P323-L326 PolarHBondContact O-N 3.02Å; L326-D328 PolarHBondContact O-N 2.74Å; L326-L329 PolarHBondContact O-N 3.09Å; L326-L329 VanDerWaalsContact O-N 3.16Å; L326-L330 HydrophobicContact CD1-CD1 4.11Å; L326-L330 HydrophobicContact CD1-CG 4.05Å; L326-L330 HydrophobicContact CD2-CD1 4.27Å; L326-L330 HydrophobicContact CG-CD1 3.73Å; L326-L330 HydrophobicContact CG-CG 4.14Å; L326-L330 VanDerWaalsContact O-CG 3.3Å; L326-L330 WeakPolarHBondContact O-CG 3.23Å; L326-L330 PolarHBondContact O-N 3.32Å; L326-I363 HydrophobicContact CD2-CD1 4.05Å; L326-I363 HydrophobicContact CD2-CG1 4.18Å; L326-I363 HydrophobicContact CD2-CG2 3.95Å
327	I	94	Very high	93.3	Very high	16 Å²	16	33.3 Å²	33.3	8%	0.082	16%	0.16	C	C	.	.	H	α-helix	trans	-59.5	-45.2	178.6	-68.1	169.3	0	0	0	111.4	P323 R325 L329 L330 Q331 E359 T362 I363	P323-I327 WeakPolarHBondContact O-CG1 3.43Å; P323-I327 PolarHBondContact O-N 3.05Å; R325-I327 VanDerWaalsContact C-N 3.33Å; R325-I327 PolarHBondContact O-N 2.68Å; I327-L329 VanDerWaalsContact C-N 3.29Å; I327-L329 PolarHBondContact O-N 3.35Å; I327-L330 PolarHBondContact O-N 3.2Å; I327-Q331 HydrophobicContact CG2-CG 4Å; I327-Q331 WeakPolarHBondContact O-CB 3.42Å; I327-Q331 VanDerWaalsContact O-CG 3.31Å; I327-Q331 WeakPolarHBondContact O-CG 3.29Å; I327-Q331 PolarHBondContact O-N 3.05Å; I327-E359 HydrophobicContact CD1-CB 3.48Å; I327-E359 VanDerWaalsContact CD1-CB 3.48Å; I327-E359 HydrophobicContact CD1-CG 3.82Å; I327-E359 WeakPolarHBondContact CD1-O 3.26Å; I327-T362 HydrophobicContact CD1-CG2 4.34Å; I327-T362 HydrophobicContact CG1-CG2 4.46Å; I327-T362 HydrophobicContact CG2-CG2 4.49Å; I327-I363 HydrophobicContact CD1-CD1 4.28Å; I327-I363 HydrophobicContact CD1-CG1 4.17Å; I327-I363 HydrophobicContact CG1-CD1 4.03Å; I327-I363 HydrophobicContact CG1-CG1 3.66Å
328	D	93	Very high	93.1	Very high	37 Å²	37	37.5 Å²	37.5	20%	0.198	18%	0.179	C	C	.	.	H	α-helix	trans	-57	-41.1	175.8	-178.7	60.6	0	0	0	112.2	G324 R325 L326 R332	G324-D328 PolarHBondContact O-N 2.97Å; R325-D328 PolarHBondContact O-N 3.35Å; L326-D328 PolarHBondContact O-N 2.74Å; D328-R332 VanDerWaalsContact CG-NE 3.3Å; D328-R332 WeakPolarHBondContact O-CB 3.2Å; D328-R332 WeakPolarHBondContact O-CD 3.46Å; D328-R332 WeakPolarHBondContact O-CG 3.34Å; D328-R332 PolarHBondContact O-N 3.39Å; D328-R332 VanDerWaalsContact O-N 3.16Å; D328-R332 IonicContact OD1-CZ 2.74Å; D328-R332 IonicContact OD1-NE 3.14Å; D328-R332 PolarHBondContact OD1-NE 3.38Å; D328-R332 IonicContact OD1-NH2 1.86Å; D328-R332 PolarHBondContact OD1-NH2 3.35Å; D328-R332 IonicContact OD2-CZ 3.32Å; D328-R332 IonicContact OD2-NE 3.18Å; D328-R332 PolarHBondContact OD2-NE 3.19Å; D328-R332 IonicContact OD2-NH2 3.71Å
329	L	92.5	Very high	92.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-71.3	-37.2	178.5	-60.8	172.6	0	0	0	112.8	C298 V304 R325 L326 I327 K333 M334 I335	C298-L329 HydrophobicContact CB-CD1 3.92Å; C298-L329 WeakPolarHBondContact SG-CD1 3.45Å; V304-L329 HydrophobicContact CG1-CD2 3.85Å; R325-L329 HydrophobicContact CG-CD1 4.19Å; R325-L329 VanDerWaalsContact O-CG 3.31Å; R325-L329 WeakPolarHBondContact O-CG 3.42Å; R325-L329 PolarHBondContact O-N 2.75Å; L326-L329 PolarHBondContact O-N 3.09Å; L326-L329 VanDerWaalsContact O-N 3.16Å; I327-L329 VanDerWaalsContact C-N 3.29Å; I327-L329 PolarHBondContact O-N 3.35Å; L329-K333 PolarHBondContact O-N 3.12Å; L329-M334 HydrophobicContact CD2-CE 3.47Å; L329-M334 VanDerWaalsContact CD2-CE 3.47Å; L329-M334 PolarHBondContact O-N 2.85Å; L329-I335 HydrophobicContact CB-CB 4.46Å; L329-I335 HydrophobicContact CB-CD1 3.96Å; L329-I335 HydrophobicContact CB-CG1 4.11Å; L329-I335 HydrophobicContact CD1-CD1 3.65Å; L329-I335 HydrophobicContact CG-CD1 4.35Å; L329-I335 PolarHBondContact O-N 2.75Å
330	L	93.3	Very high	92.8	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.016	19%	0.191	C	C	.	.	H	α-helix	trans	-71.7	-44.9	177	-68.9	172.9	0	0	0	112.1	L326 I327 R332 K333 I335 L337 Y366	L326-L330 HydrophobicContact CD1-CD1 4.11Å; L326-L330 HydrophobicContact CD1-CG 4.05Å; L326-L330 HydrophobicContact CD2-CD1 4.27Å; L326-L330 HydrophobicContact CG-CD1 3.73Å; L326-L330 HydrophobicContact CG-CG 4.14Å; L326-L330 VanDerWaalsContact O-CG 3.3Å; L326-L330 WeakPolarHBondContact O-CG 3.23Å; L326-L330 PolarHBondContact O-N 3.32Å; I327-L330 PolarHBondContact O-N 3.2Å; L330-R332 VanDerWaalsContact C-N 3.33Å; L330-R332 PolarHBondContact O-N 3.01Å; L330-K333 WeakPolarHBondContact O-CA 3.1Å; L330-K333 PolarHBondContact O-N 2.94Å; L330-I335 HydrophobicContact CD2-CB 4.43Å; L330-I335 HydrophobicContact CD2-CG2 4.39Å; L330-L337 HydrophobicContact CD1-CD1 4.17Å; L330-L337 HydrophobicContact CD2-CD1 4.45Å; L330-L337 HydrophobicContact CD2-CG 3.97Å; L330-Y366 HydrophobicContact CB-CD1 4.03Å; L330-Y366 HydrophobicContact CB-CD2 4.38Å; L330-Y366 HydrophobicContact CB-CE1 3.76Å; L330-Y366 HydrophobicContact CB-CE2 4.13Å; L330-Y366 HydrophobicContact CB-CG 4.33Å; L330-Y366 HydrophobicContact CD1-CD1 4.39Å; L330-Y366 HydrophobicContact CD1-CD2 3.79Å; L330-Y366 HydrophobicContact CD1-CE2 4.21Å; L330-Y366 HydrophobicContact CD1-CG 3.89Å; L330-Y366 HydrophobicContact CD2-CD1 4.32Å; L330-Y366 HydrophobicContact CD2-CG 4.44Å; L330-Y366 HydrophobicContact CG-CD1 4.48Å; L330-Y366 HydrophobicContact CG-CG 4.46Å
331	Q	92.9	Very high	92.6	Very high	121 Å²	121	43.2 Å²	43.2	57%	0.565	21%	0.205	S	C	*	.	H	α-helix	trans	-62.2	-39.9	177.2	-75	178.8	-11.3	0	0	111.7	I327 K333 Y366	I327-Q331 HydrophobicContact CG2-CG 4Å; I327-Q331 WeakPolarHBondContact O-CB 3.42Å; I327-Q331 VanDerWaalsContact O-CG 3.31Å; I327-Q331 WeakPolarHBondContact O-CG 3.29Å; I327-Q331 PolarHBondContact O-N 3.05Å; Q331-K333 PolarHBondContact O-N 2.88Å; Q331-Y366 WeakPolarHBondContact CG-OH 3.49Å
332	R	91.1	Very high	92.7	Very high	152 Å²	152	43.2 Å²	43.2	57%	0.574	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-1.9	172.8	-66.9	174	-162.6	-118.4	5.6	113.9	D328 L330 M334	D328-R332 VanDerWaalsContact CG-NE 3.3Å; D328-R332 WeakPolarHBondContact O-CB 3.2Å; D328-R332 WeakPolarHBondContact O-CD 3.46Å; D328-R332 WeakPolarHBondContact O-CG 3.34Å; D328-R332 PolarHBondContact O-N 3.39Å; D328-R332 VanDerWaalsContact O-N 3.16Å; D328-R332 IonicContact OD1-CZ 2.74Å; D328-R332 IonicContact OD1-NE 3.14Å; D328-R332 PolarHBondContact OD1-NE 3.38Å; D328-R332 IonicContact OD1-NH2 1.86Å; D328-R332 PolarHBondContact OD1-NH2 3.35Å; D328-R332 IonicContact OD2-CZ 3.32Å; D328-R332 IonicContact OD2-NE 3.18Å; D328-R332 PolarHBondContact OD2-NE 3.19Å; D328-R332 IonicContact OD2-NH2 3.71Å; L330-R332 VanDerWaalsContact C-N 3.33Å; L330-R332 PolarHBondContact O-N 3.01Å; R332-M334 HydrophobicContact CB-CE 3.87Å; R332-M334 HydrophobicContact CB-CG 3.98Å; R332-M334 HydrophobicContact CB-SD 4.27Å; R332-M334 HydrophobicContact CG-CE 4.39Å; R332-M334 PolarHBondContact O-N 2.91Å
333	K	89.7	Confident	92.9	Very high	184 Å²	184	42.4 Å²	42.4	80%	0.8	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	31.4	-177.5	-53.8	-179.9	-178.5	178.6	0	113.7	L329 L330 Q331	L329-K333 PolarHBondContact O-N 3.12Å; L330-K333 WeakPolarHBondContact O-CA 3.1Å; L330-K333 PolarHBondContact O-N 2.94Å; Q331-K333 PolarHBondContact O-N 2.88Å
334	M	89	Confident	93.1	Very high	54 Å²	54	42.3 Å²	42.3	27%	0.266	20%	0.2	S	C	.	.	S	Bend	trans	-88.7	-19.4	176.3	-62	-173.9	-54.5	0	0	112.2	V304 A308 L329 R332	V304-M334 HydrophobicContact CG1-CE 3.37Å; V304-M334 HydrophobicContact CG1-SD 4.43Å; A308-M334 HydrophobicContact CB-CB 4.1Å; A308-M334 HydrophobicContact CB-CE 4.4Å; A308-M334 HydrophobicContact CB-SD 4.04Å; L329-M334 HydrophobicContact CD2-CE 3.47Å; L329-M334 VanDerWaalsContact CD2-CE 3.47Å; L329-M334 PolarHBondContact O-N 2.85Å; R332-M334 HydrophobicContact CB-CE 3.87Å; R332-M334 HydrophobicContact CB-CG 3.98Å; R332-M334 HydrophobicContact CB-SD 4.27Å; R332-M334 HydrophobicContact CG-CE 4.39Å; R332-M334 PolarHBondContact O-N 2.91Å
335	I	91.1	Very high	93.3	Very high	6 Å²	6	40.5 Å²	40.5	3%	0.031	18%	0.181	C	C	.	.	S	Bend	trans	-131.4	155.1	169.9	-56.5	-176.4	0	0	0	107.1	V311 L319 L329 L330	V311-I335 HydrophobicContact CB-CG1 4.32Å; V311-I335 HydrophobicContact CG1-CG1 4.1Å; V311-I335 HydrophobicContact CG2-CD1 3.85Å; V311-I335 HydrophobicContact CG2-CG1 4.14Å; L319-I335 HydrophobicContact CD2-CD1 4.21Å; L319-I335 HydrophobicContact CD2-CG2 4.25Å; L329-I335 HydrophobicContact CB-CB 4.46Å; L329-I335 HydrophobicContact CB-CD1 3.96Å; L329-I335 HydrophobicContact CB-CG1 4.11Å; L329-I335 HydrophobicContact CD1-CD1 3.65Å; L329-I335 HydrophobicContact CG-CD1 4.35Å; L329-I335 PolarHBondContact O-N 2.75Å; L330-I335 HydrophobicContact CD2-CB 4.43Å; L330-I335 HydrophobicContact CD2-CG2 4.39Å
336	N	91.8	Very high	93.4	Very high	29 Å²	29	38.7 Å²	38.7	16%	0.155	17%	0.174	C	C	.	.			trans	-134.5	166.9	168.6	72.3	77.1	0	0	0	109.5	N256 E257 G258 P259 E338	N256-N336 PolarHBondContact O-ND2 3.34Å; E257-N336 PolarHBondContact O-OD1 3.08Å; E257-N336 VanDerWaalsContact O-OD1 3.05Å; G258-N336 WeakPolarHBondContact CA-O 3.09Å; P259-N336 VanDerWaalsContact CD-O 3.29Å; P259-N336 WeakPolarHBondContact CD-O 3.39Å; N336-E338 HydrophobicContact CB-CG 4.17Å; N336-E338 WeakPolarHBondContact OD1-CB 3.18Å; N336-E338 VanDerWaalsContact OD1-CG 3.31Å; N336-E338 WeakPolarHBondContact OD1-CG 3.26Å; N336-E338 PolarHBondContact OD1-N 3.42Å; N336-E338 VanDerWaalsContact OD1-N 3.09Å
337	L	93.7	Very high	93.1	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-119.1	30.8	178.9	-58.9	-179.8	0	0	0	112.1	P259 L262 L330 C340 I363 F367	P259-L337 HydrophobicContact CG-CD2 3.83Å; L262-L337 HydrophobicContact CD2-CD1 4.02Å; L262-L337 HydrophobicContact CD2-CD2 4.19Å; L330-L337 HydrophobicContact CD1-CD1 4.17Å; L330-L337 HydrophobicContact CD2-CD1 4.45Å; L330-L337 HydrophobicContact CD2-CG 3.97Å; L337-C340 HydrophobicContact CB-CB 3.95Å; L337-C340 HydrophobicContact CD2-CB 4.37Å; L337-C340 WeakPolarHBondContact O-CB 3.5Å; L337-C340 PolarHBondContact O-N 3.46Å; L337-I363 HydrophobicContact CD1-CG2 4.11Å; L337-F367 HydrophobicContact CD1-CD2 4.11Å; L337-F367 HydrophobicContact CD1-CE1 4.5Å; L337-F367 HydrophobicContact CD1-CE2 3.72Å; L337-F367 HydrophobicContact CD1-CZ 3.94Å
338	E	90.6	Very high	92.9	Very high	87 Å²	87	38.5 Å²	38.5	41%	0.407	17%	0.173	S	C	.	.	S	Bend	trans	-68.5	-40.1	-169.6	-62.5	-164.6	-169.4	0	0	113	N336 R341 K368	N336-E338 HydrophobicContact CB-CG 4.17Å; N336-E338 WeakPolarHBondContact OD1-CB 3.18Å; N336-E338 VanDerWaalsContact OD1-CG 3.31Å; N336-E338 WeakPolarHBondContact OD1-CG 3.26Å; N336-E338 PolarHBondContact OD1-N 3.42Å; N336-E338 VanDerWaalsContact OD1-N 3.09Å; E338-R341 PolarHBondContact O-NH1 2.67Å; E338-R341 PolarHBondContact O-NH2 2.89Å; E338-K368 HydrophobicContact CB-CD 4.31Å; E338-K368 HydrophobicContact CG-CD 3.79Å; E338-K368 HydrophobicContact CG-CG 4.33Å; E338-K368 VanDerWaalsContact OE1-CE 3.28Å; E338-K368 WeakPolarHBondContact OE1-CE 3.43Å; E338-K368 IonicContact OE1-NZ 3.36Å; E338-K368 PolarHBondContact OE1-NZ 2.59Å; E338-K368 WeakPolarHBondContact OE2-CE 3.4Å; E338-K368 IonicContact OE2-NZ 2.71Å; E338-K368 PolarHBondContact OE2-NZ 3.44Å
339	V	91.6	Very high	92.5	Very high	40 Å²	40	37 Å²	37	24%	0.242	17%	0.165	C	C	.	.	S	Bend	trans	-90.7	-0.2	175.3	-53.7	0	0	0	0	113.6	F253 E257 G258 R341	F253-V339 HydrophobicContact CE1-CG2 4.21Å; E257-V339 HydrophobicContact CB-CG1 4.23Å; E257-V339 HydrophobicContact CB-CG2 4.38Å; E257-V339 WeakPolarHBondContact O-CG2 3.29Å; G258-V339 VanDerWaalsContact O-CG2 3.3Å; G258-V339 WeakPolarHBondContact O-CG2 3.48Å; V339-R341 PolarHBondContact O-N 3.35Å
340	C	94.2	Very high	92	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	17%	0.171	C	C	.	.			trans	-69.7	118.7	-176.1	-157.6	0	0	0	0	110.5	P259 Y260 L337 F367	P259-C340 WeakPolarHBondContact O-CA 3.46Å; P259-C340 WeakPolarHBondContact O-CB 3.34Å; P259-C340 PolarHBondContact O-N 3.33Å; Y260-C340 CarbonylContact O-C 3.47Å; Y260-C340 WeakPolarHBondContact O-CA 3.25Å; Y260-C340 PolarHBondContact O-SG 2.99Å; L337-C340 HydrophobicContact CB-CB 3.95Å; L337-C340 HydrophobicContact CD2-CB 4.37Å; L337-C340 WeakPolarHBondContact O-CB 3.5Å; L337-C340 PolarHBondContact O-N 3.46Å; C340-F367 HydrophobicContact CB-CD1 4.04Å; C340-F367 HydrophobicContact CB-CE1 3.64Å
341	R	94.5	Very high	91.7	Very high	82 Å²	82	38.5 Å²	38.5	31%	0.309	17%	0.171	S	C	.	.			trans	-121.3	-3.7	-179.5	-60.6	-61.2	170.8	-92.4	-6.6	113.4	Y260 E338 V339 Q370 R371 Q372	Y260-R341 HydrophobicContact CD2-CB 4.36Å; Y260-R341 HydrophobicContact CD2-CG 4.5Å; Y260-R341 HydrophobicContact CE2-CB 3.79Å; Y260-R341 HydrophobicContact CE2-CG 4.04Å; Y260-R341 PolarHBondContact O-N 2.89Å; E338-R341 PolarHBondContact O-NH1 2.67Å; E338-R341 PolarHBondContact O-NH2 2.89Å; V339-R341 PolarHBondContact O-N 3.35Å; R341-Q370 WeakPolarHBondContact CD-O 3.41Å; R341-R371 CarbonylContact O-C 3.58Å; R341-R371 WeakPolarHBondContact O-CA 3.35Å; R341-Q372 PolarHBondContact O-N 3.22Å
342	Y	97	Very high	91.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	127	-178.9	-169.6	-88.4	0	0	0	109.9	V216 F236 P239 V240 F243 Y260 G261 L262 V344 Q372 L374	V216-Y342 HydrophobicContact CG1-CE2 3.77Å; V216-Y342 VanDerWaalsContact CG1-OH 3.31Å; V216-Y342 WeakPolarHBondContact CG1-OH 3.25Å; F236-Y342 VanDerWaalsContact CA-OH 3.3Å; F236-Y342 WeakPolarHBondContact CA-OH 3.33Å; F236-Y342 PolarHBondContact O-OH 3.07Å; P239-Y342 HydrophobicContact CB-CE2 4.43Å; V240-Y342 HydrophobicContact CB-CD1 3.78Å; V240-Y342 HydrophobicContact CB-CE1 3.55Å; V240-Y342 HydrophobicContact CB-CG 4.45Å; V240-Y342 HydrophobicContact CG1-CE1 4.46Å; V240-Y342 HydrophobicContact CG2-CD1 3.56Å; V240-Y342 HydrophobicContact CG2-CE1 3.88Å; V240-Y342 HydrophobicContact CG2-CG 4.14Å; F243-Y342 HydrophobicContact CD2-CD2 4.08Å; F243-Y342 HydrophobicContact CD2-CE2 4.19Å; F243-Y342 HydrophobicContact CE2-CD2 4.16Å; F243-Y342 HydrophobicContact CE2-CE2 4.02Å; Y260-Y342 PolarHBondContact O-N 3.36Å; Y260-Y342 VanDerWaalsContact O-N 3.14Å; G261-Y342 WeakPolarHBondContact CA-O 3.5Å; L262-Y342 PolarHBondContact N-O 3.37Å; Y342-V344 HydrophobicContact CD1-CG2 3.97Å; Y342-V344 HydrophobicContact CE1-CG2 3.4Å; Y342-V344 VanDerWaalsContact CE1-CG2 3.4Å; Y342-Q372 HydrophobicContact CD2-CB 4.36Å; Y342-Q372 HydrophobicContact CD2-CG 4.49Å; Y342-Q372 VanDerWaalsContact CD2-OE1 3.26Å; Y342-L374 HydrophobicContact CE1-CD1 4.2Å; Y342-L374 HydrophobicContact CE2-CD1 4.08Å; Y342-L374 WeakPolarHBondContact OH-CD1 3.4Å
343	L	97.3	Very high	90.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	131.8	-178.3	175.3	60.3	0	0	0	110.3	L262 L264 L345 F364 F367 Q372 T373 L374	L262-L343 HydrophobicContact CB-CD1 4.09Å; L262-L343 HydrophobicContact CD2-CD1 3.88Å; L262-L343 HydrophobicContact CG-CD1 3.84Å; L262-L343 CarbonylContact O-C 3.57Å; L262-L343 WeakPolarHBondContact O-CA 3.18Å; L264-L343 HydrophobicContact CD1-CD1 4.28Å; L264-L343 HydrophobicContact CG-CD1 4.33Å; L343-L345 HydrophobicContact CD1-CD2 4.32Å; L343-L345 HydrophobicContact CG-CD2 4.46Å; L343-F364 HydrophobicContact CD2-CD1 4.04Å; L343-F364 HydrophobicContact CD2-CE1 3.66Å; L343-F367 HydrophobicContact CB-CZ 4.3Å; L343-F367 HydrophobicContact CD1-CZ 4.3Å; L343-F367 HydrophobicContact CD2-CE2 4.17Å; L343-F367 HydrophobicContact CD2-CZ 3.97Å; L343-F367 HydrophobicContact CG-CZ 4.43Å; L343-Q372 PolarHBondContact N-O 2.86Å; L343-T373 HydrophobicContact CD2-CG2 4.23Å; L343-T373 HydrophobicContact CG-CG2 4.42Å; L343-T373 WeakPolarHBondContact O-CA 3.26Å; L343-L374 PolarHBondContact O-N 2.94Å
344	V	98	Very high	90	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	134	174.9	-172.8	0	0	0	0	109.7	F236 L262 V263 L264 Y342 L374 F376	F236-V344 HydrophobicContact CB-CG1 4.02Å; F236-V344 HydrophobicContact CB-CG2 3.75Å; F236-V344 HydrophobicContact CD1-CG1 3.73Å; F236-V344 HydrophobicContact CD2-CB 4.48Å; F236-V344 HydrophobicContact CD2-CG1 3.96Å; F236-V344 HydrophobicContact CD2-CG2 4.06Å; F236-V344 HydrophobicContact CE1-CG1 4.04Å; F236-V344 HydrophobicContact CE2-CG1 4.31Å; F236-V344 HydrophobicContact CG-CB 4.46Å; F236-V344 HydrophobicContact CG-CG1 3.66Å; F236-V344 HydrophobicContact CG-CG2 4.04Å; F236-V344 HydrophobicContact CZ-CG1 4.33Å; L262-V344 PolarHBondContact O-N 3.12Å; V263-V344 HydrophobicContact CB-CB 4.31Å; V263-V344 HydrophobicContact CG1-CB 4.07Å; V263-V344 HydrophobicContact CG1-CG1 4.27Å; V263-V344 HydrophobicContact CG2-CB 4.1Å; V263-V344 HydrophobicContact CG2-CG2 3.98Å; L264-V344 PolarHBondContact N-O 3.38Å; Y342-V344 HydrophobicContact CD1-CG2 3.97Å; Y342-V344 HydrophobicContact CE1-CG2 3.4Å; Y342-V344 VanDerWaalsContact CE1-CG2 3.4Å; V344-L374 CarbonylContact C-O 3.58Å; V344-L374 WeakPolarHBondContact CA-O 3.35Å; V344-L374 HydrophobicContact CG2-CD1 4.34Å; V344-F376 HydrophobicContact CG1-CD2 3.96Å; V344-F376 HydrophobicContact CG1-CE2 4.16Å
345	L	96.2	Very high	89.5	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	96.9	170.5	-56.6	-179.2	0	0	0	107.7	L264 L343 A348 M351 V360 F364 L374 F376 F387	L264-L345 HydrophobicContact CB-CD2 4.07Å; L264-L345 HydrophobicContact CD1-CD2 3.78Å; L264-L345 HydrophobicContact CG-CD2 4.33Å; L343-L345 HydrophobicContact CD1-CD2 4.32Å; L343-L345 HydrophobicContact CG-CD2 4.46Å; L345-A348 HydrophobicContact CB-CB 4.41Å; L345-M351 HydrophobicContact CB-CE 3.69Å; L345-M351 HydrophobicContact CD2-CE 4.21Å; L345-V360 HydrophobicContact CD1-CG1 4.27Å; L345-V360 HydrophobicContact CD2-CG1 3.98Å; L345-F364 HydrophobicContact CD1-CZ 4.23Å; L345-L374 PolarHBondContact N-O 3.34Å; L345-F376 PolarHBondContact O-N 3.5Å; L345-F387 HydrophobicContact CD1-CE1 3.67Å; L345-F387 HydrophobicContact CD1-CZ 3.83Å
346	D	94.1	Very high	89.2	Confident	1 Å²	1	27 Å²	27	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	137.5	178.5	-168.6	20	0	0	0	111.2	K232 F236 L264 P266 M351	K232-D346 VanDerWaalsContact CE-OD1 3.29Å; K232-D346 WeakPolarHBondContact CE-OD1 3.36Å; K232-D346 IonicContact NZ-OD1 2.7Å; K232-D346 PolarHBondContact NZ-OD1 3.48Å; K232-D346 IonicContact NZ-OD2 2.86Å; F236-D346 HydrophobicContact CE1-CB 4.32Å; F236-D346 HydrophobicContact CZ-CB 4.43Å; L264-D346 PolarHBondContact O-N 2.94Å; P266-D346 WeakPolarHBondContact CD-O 3.35Å; D346-M351 WeakPolarHBondContact O-CE 3.44Å
347	E	89.6	Confident	88.8	Confident	11 Å²	11	27.2 Å²	27.2	5%	0.051	14%	0.141	C	C	.	.	S	Bend	trans	54.7	54.5	-168.7	-65.8	-172.2	-177.6	0	0	111.5	K232 P266 L270 D349 R350 M351 F376	K232-E347 IonicContact NZ-OE1 2.68Å; P266-E347 HydrophobicContact CG-CB 3.69Å; L270-E347 HydrophobicContact CD2-CB 4.19Å; L270-E347 HydrophobicContact CD2-CG 3.9Å; E347-D349 WeakPolarHBondContact CA-OD1 3.36Å; E347-R350 HydrophobicContact CB-CB 4.26Å; E347-R350 PolarHBondContact O-N 3.34Å; E347-R350 IonicContact OE1-NH1 2.82Å; E347-R350 WeakPolarHBondContact OE2-CD 3.49Å; E347-R350 IonicContact OE2-CZ 3.79Å; E347-R350 IonicContact OE2-NE 3.86Å; E347-R350 IonicContact OE2-NH1 2.83Å; E347-R350 PolarHBondContact OE2-NH1 2.88Å; E347-M351 PolarHBondContact O-N 2.86Å; E347-F376 PolarHBondContact N-O 3.38Å
348	A	90	Very high	88.5	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.008	17%	0.166	C	C	.	.	H	α-helix	trans	-66.2	-40.2	-177.2	0	0	0	0	0	113.1	L345 R350 M351 I352 L375 F376	L345-A348 HydrophobicContact CB-CB 4.41Å; A348-R350 VanDerWaalsContact C-N 3.29Å; A348-R350 PolarHBondContact O-N 3.15Å; A348-M351 HydrophobicContact CB-CE 4.34Å; A348-M351 PolarHBondContact O-N 3.39Å; A348-I352 VanDerWaalsContact O-CG1 3.29Å; A348-I352 WeakPolarHBondContact O-CG1 3.39Å; A348-I352 PolarHBondContact O-N 3Å; A348-I352 VanDerWaalsContact O-N 3.07Å; A348-L375 HydrophobicContact CB-CD1 4.14Å; A348-L375 HydrophobicContact CB-CD2 3.63Å; A348-L375 HydrophobicContact CB-CG 3.58Å; A348-F376 PolarHBondContact N-O 3.46Å
349	D	85	Confident	88.4	Confident	6 Å²	6	31.1 Å²	31.1	3%	0.032	16%	0.159	C	C	.	.	H	α-helix	trans	-39.3	-58.3	163.9	40.7	25.2	0	0	0	111.8	E347 I352 D353 S377 A378 T379	E347-D349 WeakPolarHBondContact CA-OD1 3.36Å; D349-I352 PolarHBondContact O-N 2.74Å; D349-D353 PolarHBondContact O-N 2.96Å; D349-S377 WeakPolarHBondContact CB-OG 3.28Å; D349-S377 VanDerWaalsContact CG-OG 3.23Å; D349-S377 PolarHBondContact N-OG 3.44Å; D349-S377 PolarHBondContact OD2-OG 2.98Å; D349-S377 VanDerWaalsContact OD2-OG 3.09Å; D349-A378 PolarHBondContact OD2-N 2.88Å; D349-T379 PolarHBondContact OD2-N 3.28Å
350	R	82.3	Confident	88.4	Confident	31 Å²	31	29.3 Å²	29.3	12%	0.117	15%	0.148	C	C	.	.	H	α-helix	trans	-68.9	-36	-177.7	-69.1	162.9	155.4	-137.9	-12.5	113.5	P266 E347 A348 I352 D353 M354 H520	P266-R350 HydrophobicContact CB-CB 4.36Å; P266-R350 HydrophobicContact CG-CB 4.1Å; E347-R350 HydrophobicContact CB-CB 4.26Å; E347-R350 PolarHBondContact O-N 3.34Å; E347-R350 IonicContact OE1-NH1 2.82Å; E347-R350 WeakPolarHBondContact OE2-CD 3.49Å; E347-R350 IonicContact OE2-CZ 3.79Å; E347-R350 IonicContact OE2-NE 3.86Å; E347-R350 IonicContact OE2-NH1 2.83Å; E347-R350 PolarHBondContact OE2-NH1 2.88Å; A348-R350 VanDerWaalsContact C-N 3.29Å; A348-R350 PolarHBondContact O-N 3.15Å; R350-I352 VanDerWaalsContact C-N 3.29Å; R350-I352 PolarHBondContact O-N 3.45Å; R350-D353 PolarHBondContact O-N 3.31Å; R350-M354 VanDerWaalsContact O-CB 3.26Å; R350-M354 WeakPolarHBondContact O-CB 3.18Å; R350-M354 WeakPolarHBondContact O-CG 2.84Å; R350-M354 PolarHBondContact O-N 3.29Å; R350-H520 PolarHBondContact NE-CD2 2.91Å; R350-H520 VanDerWaalsContact NE-CD2 3.33Å; R350-H520 PolarHBondContact NE-CE1 3.49Å; R350-H520 VanDerWaalsContact NE-CE1 3.34Å; R350-H520 PolarHBondContact NE-NE2 3.46Å; R350-H520 VanDerWaalsContact NH2-CB 3.27Å; R350-H520 PolarHBondContact NH2-CD2 3.33Å
351	M	85.7	Confident	88	Confident	3 Å²	3	31.1 Å²	31.1	2%	0.015	16%	0.155	C	C	.	.	H	α-helix	trans	-61.6	-40.9	175.2	-75.3	-169.4	-73.5	0	0	111.8	L264 P266 P323 L345 D346 E347 A348 G355 F356 V360	L264-M351 HydrophobicContact CB-SD 4.32Å; P266-M351 HydrophobicContact CB-CG 3.65Å; P266-M351 HydrophobicContact CG-CG 4.12Å; P323-M351 HydrophobicContact CG-SD 4.2Å; L345-M351 HydrophobicContact CB-CE 3.69Å; L345-M351 HydrophobicContact CD2-CE 4.21Å; D346-M351 WeakPolarHBondContact O-CE 3.44Å; E347-M351 PolarHBondContact O-N 2.86Å; A348-M351 HydrophobicContact CB-CE 4.34Å; A348-M351 PolarHBondContact O-N 3.39Å; M351-G355 PolarHBondContact O-N 3.03Å; M351-F356 HydrophobicContact CB-CB 4.43Å; M351-F356 HydrophobicContact CB-CD2 4.44Å; M351-F356 HydrophobicContact CG-CD2 4.35Å; M351-F356 WeakPolarHBondContact O-CA 3.4Å; M351-F356 WeakPolarHBondContact O-CB 3.29Å; M351-F356 PolarHBondContact O-N 2.89Å; M351-V360 HydrophobicContact SD-CG2 4.38Å
352	I	84.6	Confident	87.7	Confident	2 Å²	2	29.7 Å²	29.7	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-75.2	-35.7	-178.6	-63.2	-61.4	0	0	0	111.7	A348 D349 R350 G355 E357 K383 I384 F387	A348-I352 VanDerWaalsContact O-CG1 3.29Å; A348-I352 WeakPolarHBondContact O-CG1 3.39Å; A348-I352 PolarHBondContact O-N 3Å; A348-I352 VanDerWaalsContact O-N 3.07Å; D349-I352 PolarHBondContact O-N 2.74Å; R350-I352 VanDerWaalsContact C-N 3.29Å; R350-I352 PolarHBondContact O-N 3.45Å; I352-G355 PolarHBondContact O-N 3.42Å; I352-E357 HydrophobicContact CD1-CB 3.57Å; I352-E357 HydrophobicContact CD1-CG 3.63Å; I352-K383 HydrophobicContact CG2-CD 3.66Å; I352-K383 HydrophobicContact CG2-CG 4.01Å; I352-K383 VanDerWaalsContact CG2-NZ 3.31Å; I352-K383 PolarHBondContact O-NZ 2.82Å; I352-K383 VanDerWaalsContact O-NZ 3.1Å; I352-I384 HydrophobicContact CB-CD1 3.49Å; I352-I384 VanDerWaalsContact CB-CD1 3.49Å; I352-I384 HydrophobicContact CG1-CD1 3.58Å; I352-I384 HydrophobicContact CG2-CD1 3.72Å; I352-F387 HydrophobicContact CD1-CD1 4.12Å; I352-F387 HydrophobicContact CD1-CD2 3.71Å; I352-F387 HydrophobicContact CD1-CE1 4.25Å; I352-F387 HydrophobicContact CD1-CE2 3.87Å; I352-F387 HydrophobicContact CD1-CG 3.85Å; I352-F387 HydrophobicContact CD1-CZ 4.14Å; I352-F387 HydrophobicContact CG1-CD1 4.31Å; I352-F387 HydrophobicContact CG1-CG 4.33Å
353	D	77	Confident	87.5	Confident	80 Å²	80	29.7 Å²	29.7	43%	0.428	16%	0.155	S	C	.	.	H	α-helix	trans	-74.3	-30.8	175	-89.6	20.4	0	0	0	113.4	D349 R350 G355 K599	D349-D353 PolarHBondContact O-N 2.96Å; R350-D353 PolarHBondContact O-N 3.31Å; D353-G355 PolarHBondContact O-N 3.13Å; D353-K599 IonicContact OD2-NZ 3.45Å; D353-K599 PolarHBondContact OD2-NZ 3.26Å
354	M	77.3	Confident	87.1	Confident	103 Å²	103	29.8 Å²	29.8	51%	0.507	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-3.8	170.3	-70.6	178.5	70.3	0	0	113.7	P266 R350 F356	P266-M354 HydrophobicContact CB-SD 3.97Å; R350-M354 VanDerWaalsContact O-CB 3.26Å; R350-M354 WeakPolarHBondContact O-CB 3.18Å; R350-M354 WeakPolarHBondContact O-CG 2.84Å; R350-M354 PolarHBondContact O-N 3.29Å; M354-F356 HydrophobicContact CB-CD2 3.94Å; M354-F356 HydrophobicContact CB-CE2 3.84Å; M354-F356 HydrophobicContact CB-CG 4.44Å; M354-F356 HydrophobicContact CB-CZ 4.26Å; M354-F356 HydrophobicContact CE-CE2 3.57Å; M354-F356 HydrophobicContact CE-CZ 3.65Å; M354-F356 HydrophobicContact CG-CE2 4.49Å; M354-F356 HydrophobicContact SD-CE2 3.92Å
355	G	79	Confident	86.7	Confident	46 Å²	46	32.6 Å²	32.6	47%	0.474	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	7.3	179.7	0	0	0	0	0	115	M351 I352 D353 E357	M351-G355 PolarHBondContact O-N 3.03Å; I352-G355 PolarHBondContact O-N 3.42Å; D353-G355 PolarHBondContact O-N 3.13Å; G355-E357 PolarHBondContact O-N 2.94Å
356	F	83	Confident	86.4	Confident	43 Å²	43	36.1 Å²	36.1	19%	0.189	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	5.4	173.9	-54.6	-40	0	0	0	113.3	P266 P323 M351 M354 E358 E359 V360	P266-F356 HydrophobicContact CB-CE2 4.38Å; P266-F356 WeakPolarHBondContact O-CE2 3.49Å; P323-F356 HydrophobicContact CG-CB 4.38Å; M351-F356 HydrophobicContact CB-CB 4.43Å; M351-F356 HydrophobicContact CB-CD2 4.44Å; M351-F356 HydrophobicContact CG-CD2 4.35Å; M351-F356 WeakPolarHBondContact O-CA 3.4Å; M351-F356 WeakPolarHBondContact O-CB 3.29Å; M351-F356 PolarHBondContact O-N 2.89Å; M354-F356 HydrophobicContact CB-CD2 3.94Å; M354-F356 HydrophobicContact CB-CE2 3.84Å; M354-F356 HydrophobicContact CB-CG 4.44Å; M354-F356 HydrophobicContact CB-CZ 4.26Å; M354-F356 HydrophobicContact CE-CE2 3.57Å; M354-F356 HydrophobicContact CE-CZ 3.65Å; M354-F356 HydrophobicContact CG-CE2 4.49Å; M354-F356 HydrophobicContact SD-CE2 3.92Å; F356-E358 VanDerWaalsContact C-N 3.35Å; F356-E358 PolarHBondContact O-N 2.89Å; F356-E359 HydrophobicContact CB-CB 4.39Å; F356-E359 VanDerWaalsContact CD1-OE2 3.3Å; F356-E359 WeakPolarHBondContact CD1-OE2 3.43Å; F356-E359 WeakPolarHBondContact O-CB 3.42Å; F356-E359 PolarHBondContact O-N 2.9Å; F356-E359 VanDerWaalsContact O-N 3.1Å; F356-V360 WeakPolarHBondContact O-CG2 3.43Å; F356-V360 PolarHBondContact O-N 2.82Å
357	E	84.8	Confident	86.3	Confident	35 Å²	35	36.6 Å²	36.6	16%	0.164	19%	0.191	C	C	.	.	H	α-helix	trans	-53.3	-46.9	177	-178.7	161.2	-167.7	0	0	112.8	I352 G355 E359 R361 K383	I352-E357 HydrophobicContact CD1-CB 3.57Å; I352-E357 HydrophobicContact CD1-CG 3.63Å; G355-E357 PolarHBondContact O-N 2.94Å; E357-E359 VanDerWaalsContact C-N 3.35Å; E357-R361 VanDerWaalsContact CD-NH1 3.29Å; E357-R361 WeakPolarHBondContact O-CD 3.43Å; E357-R361 WeakPolarHBondContact O-CG 3.41Å; E357-R361 PolarHBondContact O-N 3.34Å; E357-R361 VanDerWaalsContact O-N 3.07Å; E357-R361 IonicContact OE1-CZ 2.7Å; E357-R361 IonicContact OE1-NH1 2.78Å; E357-R361 PolarHBondContact OE1-NH1 3.39Å; E357-R361 IonicContact OE1-NH2 3.86Å; E357-R361 PolarHBondContact OE1-NH2 3.22Å; E357-K383 WeakPolarHBondContact OE2-CE 3.31Å; E357-K383 IonicContact OE2-NZ 3.34Å
358	E	86.1	Confident	86.1	Confident	111 Å²	111	42.8 Å²	42.8	52%	0.519	22%	0.218	S	C	.	.	H	α-helix	trans	-72.8	-26.3	176.6	-66.7	-57	144.4	0	0	113.4	F356 R361 T362	F356-E358 VanDerWaalsContact C-N 3.35Å; F356-E358 PolarHBondContact O-N 2.89Å; E358-R361 VanDerWaalsContact OE1-CD 3.29Å; E358-R361 WeakPolarHBondContact OE1-CD 3.45Å; E358-R361 IonicContact OE1-CZ 3.95Å; E358-R361 IonicContact OE1-NE 3.28Å; E358-R361 PolarHBondContact OE1-NE 3.19Å; E358-R361 WeakPolarHBondContact OE2-CD 3.38Å; E358-R361 IonicContact OE2-NE 2.83Å; E358-T362 WeakPolarHBondContact O-CB 3.4Å; E358-T362 PolarHBondContact O-N 3.34Å; E358-T362 PolarHBondContact O-OG1 3.25Å
359	E	89.4	Confident	86	Confident	59 Å²	59	43.3 Å²	43.3	28%	0.276	22%	0.223	S	C	.	.	H	α-helix	trans	-72.7	-45.3	175.4	-67.7	176.6	-158	0	0	110.8	P323 G324 I327 F356 E357 T362 I363	P323-E359 HydrophobicContact CB-CB 3.98Å; G324-E359 PolarHBondContact N-OE2 3.08Å; I327-E359 HydrophobicContact CD1-CB 3.48Å; I327-E359 VanDerWaalsContact CD1-CB 3.48Å; I327-E359 HydrophobicContact CD1-CG 3.82Å; I327-E359 WeakPolarHBondContact CD1-O 3.26Å; F356-E359 HydrophobicContact CB-CB 4.39Å; F356-E359 VanDerWaalsContact CD1-OE2 3.3Å; F356-E359 WeakPolarHBondContact CD1-OE2 3.43Å; F356-E359 WeakPolarHBondContact O-CB 3.42Å; F356-E359 PolarHBondContact O-N 2.9Å; F356-E359 VanDerWaalsContact O-N 3.1Å; E357-E359 VanDerWaalsContact C-N 3.35Å; E359-T362 WeakPolarHBondContact O-CB 3.5Å; E359-T362 PolarHBondContact O-N 3.44Å; E359-T362 VanDerWaalsContact O-N 3.14Å; E359-I363 WeakPolarHBondContact O-CG1 3.3Å; E359-I363 PolarHBondContact O-N 2.84Å
360	V	90.8	Very high	86.2	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-64.5	-41.4	175.4	176.9	0	0	0	0	110.9	L264 P323 L345 M351 F356 T362 I363 F364 F387	L264-V360 HydrophobicContact CD1-CG2 4.47Å; P323-V360 HydrophobicContact CG-CG2 4.18Å; L345-V360 HydrophobicContact CD1-CG1 4.27Å; L345-V360 HydrophobicContact CD2-CG1 3.98Å; M351-V360 HydrophobicContact SD-CG2 4.38Å; F356-V360 WeakPolarHBondContact O-CG2 3.43Å; F356-V360 PolarHBondContact O-N 2.82Å; V360-T362 VanDerWaalsContact C-N 3.32Å; V360-T362 PolarHBondContact O-N 3.45Å; V360-I363 PolarHBondContact O-N 3.27Å; V360-F364 HydrophobicContact CG1-CD1 4.2Å; V360-F364 HydrophobicContact CG1-CE1 3.4Å; V360-F364 VanDerWaalsContact CG1-CE1 3.4Å; V360-F364 HydrophobicContact CG1-CE2 4.43Å; V360-F364 HydrophobicContact CG1-CZ 3.55Å; V360-F364 WeakPolarHBondContact O-CD1 3.32Å; V360-F364 WeakPolarHBondContact O-CG 3.27Å; V360-F364 PolarHBondContact O-N 2.82Å; V360-F387 HydrophobicContact CG1-CE2 4.37Å; V360-F387 HydrophobicContact CG1-CZ 3.84Å
361	R	85.2	Confident	86.7	Confident	38 Å²	38	44.9 Å²	44.9	14%	0.143	23%	0.231	C	C	.	.	H	α-helix	trans	-55	-45.2	168.9	-74.4	164.2	161.6	58.6	-11.2	112.3	L127 E357 E358 I363 F364 S365	L127-R361 HydrophobicContact CD1-CG 4.03Å; L127-R361 HydrophobicContact CD2-CG 3.88Å; L127-R361 HydrophobicContact CG-CG 4.45Å; E357-R361 VanDerWaalsContact CD-NH1 3.29Å; E357-R361 WeakPolarHBondContact O-CD 3.43Å; E357-R361 WeakPolarHBondContact O-CG 3.41Å; E357-R361 PolarHBondContact O-N 3.34Å; E357-R361 VanDerWaalsContact O-N 3.07Å; E357-R361 IonicContact OE1-CZ 2.7Å; E357-R361 IonicContact OE1-NH1 2.78Å; E357-R361 PolarHBondContact OE1-NH1 3.39Å; E357-R361 IonicContact OE1-NH2 3.86Å; E357-R361 PolarHBondContact OE1-NH2 3.22Å; E358-R361 VanDerWaalsContact OE1-CD 3.29Å; E358-R361 WeakPolarHBondContact OE1-CD 3.45Å; E358-R361 IonicContact OE1-CZ 3.95Å; E358-R361 IonicContact OE1-NE 3.28Å; E358-R361 PolarHBondContact OE1-NE 3.19Å; E358-R361 WeakPolarHBondContact OE2-CD 3.38Å; E358-R361 IonicContact OE2-NE 2.83Å; R361-I363 PolarHBondContact O-N 3.01Å; R361-F364 WeakPolarHBondContact O-CB 3.32Å; R361-F364 PolarHBondContact O-N 3.21Å; R361-S365 PolarHBondContact O-N 3.43Å
362	T	89	Confident	87.1	Confident	52 Å²	52	44.9 Å²	44.9	32%	0.319	23%	0.231	S	C	.	.	H	α-helix	trans	-62	-43.6	177.6	-63.4	0	0	0	0	110.9	I327 E358 E359 V360 F364 S365 Y366	I327-T362 HydrophobicContact CD1-CG2 4.34Å; I327-T362 HydrophobicContact CG1-CG2 4.46Å; I327-T362 HydrophobicContact CG2-CG2 4.49Å; E358-T362 WeakPolarHBondContact O-CB 3.4Å; E358-T362 PolarHBondContact O-N 3.34Å; E358-T362 PolarHBondContact O-OG1 3.25Å; E359-T362 WeakPolarHBondContact O-CB 3.5Å; E359-T362 PolarHBondContact O-N 3.44Å; E359-T362 VanDerWaalsContact O-N 3.14Å; V360-T362 VanDerWaalsContact C-N 3.32Å; V360-T362 PolarHBondContact O-N 3.45Å; T362-F364 VanDerWaalsContact C-N 3.33Å; T362-F364 PolarHBondContact O-N 3.45Å; T362-S365 WeakPolarHBondContact O-CB 3.36Å; T362-S365 PolarHBondContact O-N 3.11Å; T362-S365 VanDerWaalsContact O-N 3.14Å; T362-S365 PolarHBondContact O-OG 2.97Å; T362-Y366 HydrophobicContact CG2-CE2 4.2Å; T362-Y366 WeakPolarHBondContact O-CD2 3.22Å
363	I	92.4	Very high	87.7	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.2	-39	176.6	-67.7	158.7	0	0	0	111.6	L262 L264 P323 L326 I327 L337 E359 V360 R361 S365 Y366 F367	L262-I363 HydrophobicContact CD2-CG2 4.13Å; L264-I363 HydrophobicContact CD1-CD1 3.92Å; L264-I363 HydrophobicContact CD1-CG2 4.38Å; P323-I363 HydrophobicContact CB-CD1 3.92Å; L326-I363 HydrophobicContact CD2-CD1 4.05Å; L326-I363 HydrophobicContact CD2-CG1 4.18Å; L326-I363 HydrophobicContact CD2-CG2 3.95Å; I327-I363 HydrophobicContact CD1-CD1 4.28Å; I327-I363 HydrophobicContact CD1-CG1 4.17Å; I327-I363 HydrophobicContact CG1-CD1 4.03Å; I327-I363 HydrophobicContact CG1-CG1 3.66Å; L337-I363 HydrophobicContact CD1-CG2 4.11Å; E359-I363 WeakPolarHBondContact O-CG1 3.3Å; E359-I363 PolarHBondContact O-N 2.84Å; V360-I363 PolarHBondContact O-N 3.27Å; R361-I363 PolarHBondContact O-N 3.01Å; I363-S365 PolarHBondContact O-N 3.07Å; I363-Y366 PolarHBondContact O-N 3.2Å; I363-Y366 VanDerWaalsContact O-N 3.1Å; I363-F367 HydrophobicContact CG2-CE2 4.19Å
364	F	90.3	Very high	88.6	Confident	3 Å²	3	41 Å²	41	1%	0.013	21%	0.211	C	C	.	.	H	α-helix	trans	-58.6	-29.9	176.6	-65.5	-3	0	0	0	112.9	L343 L345 V360 R361 T362 Y366 F367 F387 A391	L343-F364 HydrophobicContact CD2-CD1 4.04Å; L343-F364 HydrophobicContact CD2-CE1 3.66Å; L345-F364 HydrophobicContact CD1-CZ 4.23Å; V360-F364 HydrophobicContact CG1-CD1 4.2Å; V360-F364 HydrophobicContact CG1-CE1 3.4Å; V360-F364 VanDerWaalsContact CG1-CE1 3.4Å; V360-F364 HydrophobicContact CG1-CE2 4.43Å; V360-F364 HydrophobicContact CG1-CZ 3.55Å; V360-F364 WeakPolarHBondContact O-CD1 3.32Å; V360-F364 WeakPolarHBondContact O-CG 3.27Å; V360-F364 PolarHBondContact O-N 2.82Å; R361-F364 WeakPolarHBondContact O-CB 3.32Å; R361-F364 PolarHBondContact O-N 3.21Å; T362-F364 VanDerWaalsContact C-N 3.33Å; T362-F364 PolarHBondContact O-N 3.45Å; F364-Y366 PolarHBondContact O-N 3.3Å; F364-F367 PolarHBondContact O-N 2.94Å; F364-F387 HydrophobicContact CE2-CZ 4.46Å; F364-F387 HydrophobicContact CZ-CZ 4.07Å; F364-A391 HydrophobicContact CE2-CB 3.53Å; F364-A391 HydrophobicContact CZ-CB 3.81Å
365	S	88.1	Confident	89.5	Confident	58 Å²	58	36.1 Å²	36.1	41%	0.406	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-15.6	179.3	77.6	0	0	0	0	114.5	R361 T362 I363	R361-S365 PolarHBondContact O-N 3.43Å; T362-S365 WeakPolarHBondContact O-CB 3.36Å; T362-S365 PolarHBondContact O-N 3.11Å; T362-S365 VanDerWaalsContact O-N 3.14Å; T362-S365 PolarHBondContact O-OG 2.97Å; I363-S365 PolarHBondContact O-N 3.07Å
366	Y	91.6	Very high	90.3	Very high	75 Å²	75	34 Å²	34	29%	0.294	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-10.1	178.9	-73.5	-89.4	0	0	0	114	L330 Q331 T362 I363 F364	L330-Y366 HydrophobicContact CB-CD1 4.03Å; L330-Y366 HydrophobicContact CB-CD2 4.38Å; L330-Y366 HydrophobicContact CB-CE1 3.76Å; L330-Y366 HydrophobicContact CB-CE2 4.13Å; L330-Y366 HydrophobicContact CB-CG 4.33Å; L330-Y366 HydrophobicContact CD1-CD1 4.39Å; L330-Y366 HydrophobicContact CD1-CD2 3.79Å; L330-Y366 HydrophobicContact CD1-CE2 4.21Å; L330-Y366 HydrophobicContact CD1-CG 3.89Å; L330-Y366 HydrophobicContact CD2-CD1 4.32Å; L330-Y366 HydrophobicContact CD2-CG 4.44Å; L330-Y366 HydrophobicContact CG-CD1 4.48Å; L330-Y366 HydrophobicContact CG-CG 4.46Å; Q331-Y366 WeakPolarHBondContact CG-OH 3.49Å; T362-Y366 HydrophobicContact CG2-CE2 4.2Å; T362-Y366 WeakPolarHBondContact O-CD2 3.22Å; I363-Y366 PolarHBondContact O-N 3.2Å; I363-Y366 VanDerWaalsContact O-N 3.1Å; F364-Y366 PolarHBondContact O-N 3.3Å
367	F	91	Very high	90.6	Very high	11 Å²	11	32 Å²	32	5%	0.048	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-76.4	135.6	174.4	-69.8	-97.4	0	0	0	110.5	L262 L337 C340 L343 I363 F364 R371	L262-F367 HydrophobicContact CD2-CZ 4.2Å; L337-F367 HydrophobicContact CD1-CD2 4.11Å; L337-F367 HydrophobicContact CD1-CE1 4.5Å; L337-F367 HydrophobicContact CD1-CE2 3.72Å; L337-F367 HydrophobicContact CD1-CZ 3.94Å; C340-F367 HydrophobicContact CB-CD1 4.04Å; C340-F367 HydrophobicContact CB-CE1 3.64Å; L343-F367 HydrophobicContact CB-CZ 4.3Å; L343-F367 HydrophobicContact CD1-CZ 4.3Å; L343-F367 HydrophobicContact CD2-CE2 4.17Å; L343-F367 HydrophobicContact CD2-CZ 3.97Å; L343-F367 HydrophobicContact CG-CZ 4.43Å; I363-F367 HydrophobicContact CG2-CE2 4.19Å; F364-F367 PolarHBondContact O-N 2.94Å; F367-R371 HydrophobicContact CD1-CB 4.22Å; F367-R371 VanDerWaalsContact CD1-CD 3.5Å; F367-R371 HydrophobicContact CD1-CG 4.41Å; F367-R371 HydrophobicContact CE1-CB 4.26Å; F367-R371 VanDerWaalsContact CE1-CD 3.46Å; F367-R371 HydrophobicContact CE1-CG 4.46Å
368	K	86.4	Confident	90.4	Very high	140 Å²	140	30.9 Å²	30.9	61%	0.609	15%	0.153	S	C	*	.			trans	-94.1	-4.8	-179.9	-71.4	-166.4	-179.3	175.6	0	115	E338	E338-K368 HydrophobicContact CB-CD 4.31Å; E338-K368 HydrophobicContact CG-CD 3.79Å; E338-K368 HydrophobicContact CG-CG 4.33Å; E338-K368 VanDerWaalsContact OE1-CE 3.28Å; E338-K368 WeakPolarHBondContact OE1-CE 3.43Å; E338-K368 IonicContact OE1-NZ 3.36Å; E338-K368 PolarHBondContact OE1-NZ 2.59Å; E338-K368 WeakPolarHBondContact OE2-CE 3.4Å; E338-K368 IonicContact OE2-NZ 2.71Å; E338-K368 PolarHBondContact OE2-NZ 3.44Å
369	G	86.4	Confident	89.9	Confident	12 Å²	12	26.2 Å²	26.2	12%	0.124	13%	0.131	C	C	.	.	S	Bend	trans	-171.8	-171.6	-180	0	0	0	0	0	112.5	R371	G369-R371 PolarHBondContact O-N 3.35Å
370	Q	89.4	Confident	89.6	Confident	50 Å²	50	25 Å²	25	23%	0.234	13%	0.126	C	C	.	.			trans	-55.9	138.2	-174.9	-162.3	174.2	-5	0	0	112.1	Y139 K141 I143 R341	Y139-Q370 HydrophobicContact CD1-CB 3.88Å; Y139-Q370 HydrophobicContact CD1-CG 3.86Å; Y139-Q370 VanDerWaalsContact CD1-OE1 3.32Å; Y139-Q370 HydrophobicContact CD2-CB 4.19Å; Y139-Q370 HydrophobicContact CD2-CG 3.9Å; Y139-Q370 HydrophobicContact CE1-CB 3.66Å; Y139-Q370 HydrophobicContact CE1-CG 4.17Å; Y139-Q370 HydrophobicContact CE2-CB 3.96Å; Y139-Q370 HydrophobicContact CE2-CG 4.18Å; Y139-Q370 HydrophobicContact CG-CB 4.15Å; Y139-Q370 HydrophobicContact CG-CG 3.73Å; Y139-Q370 PolarHBondContact OH-N 3Å; K141-Q370 PolarHBondContact O-NE2 2.89Å; I143-Q370 HydrophobicContact CD1-CB 4.48Å; I143-Q370 HydrophobicContact CD1-CG 4.16Å; I143-Q370 HydrophobicContact CG1-CG 3.94Å; R341-Q370 WeakPolarHBondContact CD-O 3.41Å
371	R	92.5	Very high	88.9	Confident	20 Å²	20	25.4 Å²	25.4	8%	0.075	13%	0.129	C	C	.	.			trans	-132.2	148.6	174.2	66.4	-169.7	-180	-85.6	-3.9	108.7	R341 F367 G369	R341-R371 CarbonylContact O-C 3.58Å; R341-R371 WeakPolarHBondContact O-CA 3.35Å; F367-R371 HydrophobicContact CD1-CB 4.22Å; F367-R371 VanDerWaalsContact CD1-CD 3.5Å; F367-R371 HydrophobicContact CD1-CG 4.41Å; F367-R371 HydrophobicContact CE1-CB 4.26Å; F367-R371 VanDerWaalsContact CE1-CD 3.46Å; F367-R371 HydrophobicContact CE1-CG 4.46Å; G369-R371 PolarHBondContact O-N 3.35Å
372	Q	95.4	Very high	88.5	Confident	3 Å²	3	25.7 Å²	25.7	1%	0.014	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	126.4	163.8	-176.1	-179.7	16.2	0	0	107.7	I143 V216 G219 R220 D221 R341 Y342 L343 L374	I143-Q372 HydrophobicContact CD1-CB 4.35Å; V216-Q372 PolarHBondContact O-NE2 3.49Å; G219-Q372 VanDerWaalsContact C-NE2 3.34Å; R220-Q372 PolarHBondContact O-NE2 3.49Å; D221-Q372 VanDerWaalsContact OD1-CA 3.28Å; D221-Q372 WeakPolarHBondContact OD1-CA 3.25Å; R341-Q372 PolarHBondContact O-N 3.22Å; Y342-Q372 HydrophobicContact CD2-CB 4.36Å; Y342-Q372 HydrophobicContact CD2-CG 4.49Å; Y342-Q372 VanDerWaalsContact CD2-OE1 3.26Å; L343-Q372 PolarHBondContact N-O 2.86Å; Q372-L374 HydrophobicContact CG-CD2 3.98Å
373	T	95.9	Very high	88.1	Confident	2 Å²	2	25.9 Å²	25.9	1%	0.012	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.4	-179	-53.2	0	0	0	0	110.6	D221 M222 L343 L392	D221-T373 VanDerWaalsContact CA-O 3.3Å; D221-T373 WeakPolarHBondContact CA-O 3.29Å; D221-T373 WeakPolarHBondContact CB-O 3.48Å; D221-T373 PolarHBondContact OD1-N 3.31Å; M222-T373 PolarHBondContact N-O 3.05Å; L343-T373 HydrophobicContact CD2-CG2 4.23Å; L343-T373 HydrophobicContact CG-CG2 4.42Å; L343-T373 WeakPolarHBondContact O-CA 3.26Å; T373-L392 HydrophobicContact CG2-CD1 4.32Å; T373-L392 HydrophobicContact CG2-CG 4.04Å; T373-L392 WeakPolarHBondContact O-CD2 3.39Å
374	L	97.5	Very high	87.7	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132.3	176.5	-44.5	-173.7	0	0	0	109.7	V216 M222 F236 Y342 L343 V344 L345 Q372 F376	V216-L374 HydrophobicContact CB-CD1 4.38Å; V216-L374 HydrophobicContact CG1-CD1 3.69Å; V216-L374 HydrophobicContact CG1-CD2 4.34Å; V216-L374 HydrophobicContact CG2-CD1 3.66Å; V216-L374 HydrophobicContact CG2-CD2 3.84Å; V216-L374 HydrophobicContact CG2-CG 4.43Å; M222-L374 HydrophobicContact CB-CD2 3.87Å; M222-L374 WeakPolarHBondContact O-CA 3.43Å; F236-L374 HydrophobicContact CB-CD1 3.85Å; Y342-L374 HydrophobicContact CE1-CD1 4.2Å; Y342-L374 HydrophobicContact CE2-CD1 4.08Å; Y342-L374 WeakPolarHBondContact OH-CD1 3.4Å; L343-L374 PolarHBondContact O-N 2.94Å; V344-L374 CarbonylContact C-O 3.58Å; V344-L374 WeakPolarHBondContact CA-O 3.35Å; V344-L374 HydrophobicContact CG2-CD1 4.34Å; L345-L374 PolarHBondContact N-O 3.34Å; Q372-L374 HydrophobicContact CG-CD2 3.98Å; L374-F376 HydrophobicContact CB-CD2 4.4Å; L374-F376 HydrophobicContact CB-CE2 3.73Å; L374-F376 HydrophobicContact CD1-CE2 4.17Å
375	L	95.7	Very high	87.4	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	121.8	178.4	-173	159.4	0	0	0	108.7	M222 I223 G224 A348 M380 I384 F387 A388 L392	M222-L375 PolarHBondContact O-N 3.45Å; I223-L375 CarbonylContact C-O 3.58Å; I223-L375 WeakPolarHBondContact CA-O 3.37Å; I223-L375 HydrophobicContact CG2-CD2 4.27Å; G224-L375 PolarHBondContact N-O 2.85Å; A348-L375 HydrophobicContact CB-CD1 4.14Å; A348-L375 HydrophobicContact CB-CD2 3.63Å; A348-L375 HydrophobicContact CB-CG 3.58Å; L375-M380 HydrophobicContact CD2-CE 4.22Å; L375-I384 HydrophobicContact CD2-CG2 4.21Å; L375-F387 HydrophobicContact CD1-CD1 3.84Å; L375-F387 HydrophobicContact CD1-CE1 3.92Å; L375-A388 HydrophobicContact CD1-CB 3.95Å; L375-L392 HydrophobicContact CB-CD1 4.25Å; L375-L392 HydrophobicContact CB-CD2 4.28Å; L375-L392 HydrophobicContact CD1-CD1 4.09Å
376	F	94.5	Very high	87.2	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	130.8	176	-67.2	-88.5	0	0	0	110.7	M222 G224 K232 V235 F236 V344 L345 E347 A348 L374	M222-F376 HydrophobicContact CE-CE1 4.21Å; M222-F376 HydrophobicContact SD-CE1 4.48Å; M222-F376 HydrophobicContact SD-CZ 4.25Å; G224-F376 WeakPolarHBondContact O-CA 3.45Å; K232-F376 HydrophobicContact CB-CD1 3.93Å; K232-F376 HydrophobicContact CB-CE1 4.34Å; K232-F376 HydrophobicContact CD-CB 4.36Å; V235-F376 HydrophobicContact CB-CE1 4.14Å; V235-F376 HydrophobicContact CB-CZ 4.02Å; V235-F376 HydrophobicContact CG1-CE1 4.21Å; V235-F376 HydrophobicContact CG1-CZ 3.96Å; F236-F376 HydrophobicContact CB-CE2 3.86Å; F236-F376 HydrophobicContact CB-CZ 4.28Å; F236-F376 AromaticContact CD1-CD2 3.73Å; F236-F376 HydrophobicContact CD1-CD2 3.73Å; F236-F376 AromaticContact CD1-CE2 3.51Å; F236-F376 HydrophobicContact CD1-CE2 3.51Å; F236-F376 HydrophobicContact CD1-CG 4.42Å; F236-F376 HydrophobicContact CD1-CZ 4.03Å; F236-F376 HydrophobicContact CE1-CD2 4.27Å; F236-F376 HydrophobicContact CE1-CE2 4.47Å; F236-F376 HydrophobicContact CG-CE2 4.13Å; V344-F376 HydrophobicContact CG1-CD2 3.96Å; V344-F376 HydrophobicContact CG1-CE2 4.16Å; L345-F376 PolarHBondContact O-N 3.5Å; E347-F376 PolarHBondContact N-O 3.38Å; A348-F376 PolarHBondContact N-O 3.46Å; L374-F376 HydrophobicContact CB-CD2 4.4Å; L374-F376 HydrophobicContact CB-CE2 3.73Å; L374-F376 HydrophobicContact CD1-CE2 4.17Å
377	S	89.7	Confident	86.9	Confident	1 Å²	1	25 Å²	25	1%	0.007	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	149.9	-171.6	-145.6	0	0	0	0	109.7	G224 I225 A226 D349 T379	G224-S377 PolarHBondContact O-N 3.23Å; I225-S377 WeakPolarHBondContact CA-O 3.46Å; A226-S377 PolarHBondContact N-O 3.35Å; D349-S377 WeakPolarHBondContact CB-OG 3.28Å; D349-S377 VanDerWaalsContact CG-OG 3.23Å; D349-S377 PolarHBondContact N-OG 3.44Å; D349-S377 PolarHBondContact OD2-OG 2.98Å; D349-S377 VanDerWaalsContact OD2-OG 3.09Å; S377-T379 WeakPolarHBondContact CB-O 3.23Å; S377-T379 PolarHBondContact OG-O 3.45Å
378	A	81.4	Confident	86.8	Confident	13 Å²	13	24.5 Å²	24.5	11%	0.107	12%	0.12	C	C	.	.	S	Bend	trans	-84.9	-34.9	168.6	0	0	0	0	0	111	D349 G404	D349-A378 PolarHBondContact OD2-N 2.88Å; A378-G404 PolarHBondContact O-N 3.28Å
379	T	75.9	Confident	86.6	Confident	12 Å²	12	24.8 Å²	24.8	7%	0.074	12%	0.121	C	C	.	.			trans	-119	163.9	178.5	63	0	0	0	0	111.3	D349 S377 E516	D349-T379 PolarHBondContact OD2-N 3.28Å; S377-T379 WeakPolarHBondContact CB-O 3.23Å; S377-T379 PolarHBondContact OG-O 3.45Å; T379-E516 VanDerWaalsContact CB-OE1 3.29Å; T379-E516 WeakPolarHBondContact CB-OE1 3.35Å; T379-E516 HydrophobicContact CG2-CB 4.44Å; T379-E516 HydrophobicContact CG2-CG 4.01Å; T379-E516 WeakPolarHBondContact CG2-OE1 3.3Å; T379-E516 PolarHBondContact OG1-OE1 3.01Å
380	M	82.3	Confident	86.4	Confident	33 Å²	33	25.8 Å²	25.8	16%	0.163	13%	0.126	C	C	.	.			trans	-136.9	55.6	-179.8	-167.8	51.1	55.7	0	0	112.7	I223 I225 L375 I384 Q385	I223-M380 HydrophobicContact CG2-CE 3.44Å; I223-M380 VanDerWaalsContact CG2-CE 3.44Å; I223-M380 HydrophobicContact CG2-SD 4.42Å; I225-M380 HydrophobicContact CD1-CB 3.71Å; I225-M380 HydrophobicContact CD1-CE 3.97Å; I225-M380 HydrophobicContact CD1-CG 3.77Å; I225-M380 HydrophobicContact CG1-CB 4.29Å; I225-M380 HydrophobicContact CG1-CE 3.74Å; L375-M380 HydrophobicContact CD2-CE 4.22Å; M380-I384 HydrophobicContact CE-CG2 3.83Å; M380-I384 HydrophobicContact SD-CB 4.07Å; M380-I384 HydrophobicContact SD-CG2 3.73Å; M380-Q385 HydrophobicContact CG-CG 3.7Å; M380-Q385 PolarHBondContact O-NE2 3.13Å; M380-Q385 HydrophobicContact SD-CG 3.75Å
381	P	76.1	Confident	86.2	Confident	11 Å²	11	23.8 Å²	23.8	7%	0.071	12%	0.118	C	C	.	.			trans	-65.4	160.2	174.3	29.8	-33.9	0	0	0	110.7	K383 I384 Q385 Y586	P381-K383 PolarHBondContact O-N 3.45Å; P381-I384 HydrophobicContact CG-CB 4.5Å; P381-I384 HydrophobicContact CG-CG1 3.87Å; P381-I384 WeakPolarHBondContact O-CA 3.33Å; P381-I384 PolarHBondContact O-N 3.43Å; P381-Q385 PolarHBondContact O-N 2.97Å; P381-Y586 WeakPolarHBondContact CB-O 3.37Å
382	K	78.1	Confident	86	Confident	43 Å²	43	23.5 Å²	23.5	19%	0.187	12%	0.118	C	C	.	.	H	α-helix	trans	-60.8	-26.5	-170.6	-150.3	115.8	156.5	-169.8	0	113.1	L118 Q385 N386 E581 A585	L118-K382 HydrophobicContact CD1-CB 4.09Å; L118-K382 HydrophobicContact CD1-CG 4.23Å; L118-K382 HydrophobicContact CD2-CB 4.32Å; L118-K382 HydrophobicContact CD2-CD 3.68Å; L118-K382 VanDerWaalsContact CD2-CE 3.47Å; L118-K382 HydrophobicContact CD2-CG 3.81Å; L118-K382 HydrophobicContact CG-CG 4.39Å; K382-Q385 PolarHBondContact O-N 3.28Å; K382-N386 WeakPolarHBondContact O-CB 3.46Å; K382-N386 PolarHBondContact O-N 3.1Å; K382-N386 PolarHBondContact O-ND2 3.19Å; K382-E581 VanDerWaalsContact NZ-CD 3.28Å; K382-E581 IonicContact NZ-OE1 3.52Å; K382-E581 PolarHBondContact NZ-OE1 3.23Å; K382-E581 IonicContact NZ-OE2 3.27Å; K382-E581 PolarHBondContact NZ-OE2 3.43Å; K382-A585 HydrophobicContact CB-CB 4.4Å; K382-A585 WeakPolarHBondContact CB-O 3.5Å; K382-A585 HydrophobicContact CD-CB 4.34Å; K382-A585 PolarHBondContact N-O 2.84Å
383	K	79.6	Confident	85.7	Confident	57 Å²	57	25.1 Å²	25.1	25%	0.248	13%	0.128	C	C	.	.	H	α-helix	trans	-59.2	-47.1	170.6	-168.2	-175.4	177.8	-160.3	0	111.6	I352 E357 P381 N386 F387	I352-K383 HydrophobicContact CG2-CD 3.66Å; I352-K383 HydrophobicContact CG2-CG 4.01Å; I352-K383 VanDerWaalsContact CG2-NZ 3.31Å; I352-K383 PolarHBondContact O-NZ 2.82Å; I352-K383 VanDerWaalsContact O-NZ 3.1Å; E357-K383 WeakPolarHBondContact OE2-CE 3.31Å; E357-K383 IonicContact OE2-NZ 3.34Å; P381-K383 PolarHBondContact O-N 3.45Å; K383-N386 PolarHBondContact O-N 3.04Å; K383-F387 WeakPolarHBondContact O-CB 3.33Å; K383-F387 PolarHBondContact O-N 3.19Å
384	I	84.3	Confident	85.4	Confident	1 Å²	1	30.2 Å²	30.2	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-69.9	-37.3	176.2	-54.4	-56.4	0	0	0	111.1	I352 L375 M380 P381 N386 F387 A388	I352-I384 HydrophobicContact CB-CD1 3.49Å; I352-I384 VanDerWaalsContact CB-CD1 3.49Å; I352-I384 HydrophobicContact CG1-CD1 3.58Å; I352-I384 HydrophobicContact CG2-CD1 3.72Å; L375-I384 HydrophobicContact CD2-CG2 4.21Å; M380-I384 HydrophobicContact CE-CG2 3.83Å; M380-I384 HydrophobicContact SD-CB 4.07Å; M380-I384 HydrophobicContact SD-CG2 3.73Å; P381-I384 HydrophobicContact CG-CB 4.5Å; P381-I384 HydrophobicContact CG-CG1 3.87Å; P381-I384 WeakPolarHBondContact O-CA 3.33Å; P381-I384 PolarHBondContact O-N 3.43Å; I384-N386 VanDerWaalsContact C-N 3.35Å; I384-N386 PolarHBondContact O-N 2.93Å; I384-F387 PolarHBondContact O-N 3.22Å; I384-A388 VanDerWaalsContact O-CB 3.26Å; I384-A388 WeakPolarHBondContact O-CB 3.33Å; I384-A388 PolarHBondContact O-N 2.95Å
385	Q	84.8	Confident	85.2	Confident	57 Å²	57	31.6 Å²	31.6	27%	0.266	16%	0.159	S	C	.	.	H	α-helix	trans	-60.9	-42.4	173.5	-60.6	175.4	20.2	0	0	112.1	M380 P381 K382 A388 K389	M380-Q385 HydrophobicContact CG-CG 3.7Å; M380-Q385 PolarHBondContact O-NE2 3.13Å; M380-Q385 HydrophobicContact SD-CG 3.75Å; P381-Q385 PolarHBondContact O-N 2.97Å; K382-Q385 PolarHBondContact O-N 3.28Å; Q385-A388 PolarHBondContact O-N 3.49Å; Q385-K389 WeakPolarHBondContact O-CB 3.35Å; Q385-K389 VanDerWaalsContact O-CG 3.24Å; Q385-K389 WeakPolarHBondContact O-CG 3.22Å; Q385-K389 PolarHBondContact O-N 3.13Å
386	N	83.7	Confident	85.2	Confident	53 Å²	53	31.6 Å²	31.6	28%	0.283	16%	0.159	S	C	.	.	H	α-helix	trans	-69.7	-39.8	178.7	-70.2	-15.4	0	0	0	111.9	A122 K382 K383 I384 S390	A122-N386 WeakPolarHBondContact CB-ND2 3.29Å; K382-N386 WeakPolarHBondContact O-CB 3.46Å; K382-N386 PolarHBondContact O-N 3.1Å; K382-N386 PolarHBondContact O-ND2 3.19Å; K383-N386 PolarHBondContact O-N 3.04Å; I384-N386 VanDerWaalsContact C-N 3.35Å; I384-N386 PolarHBondContact O-N 2.93Å; N386-S390 PolarHBondContact O-N 3.37Å; N386-S390 PolarHBondContact O-OG 3.48Å
387	F	85.3	Confident	85.2	Confident	5 Å²	5	32.4 Å²	32.4	2%	0.022	16%	0.164	C	C	.	.	H	α-helix	trans	-59.5	-46.5	169.6	176	-101.9	0	0	0	111.2	L127 L345 I352 V360 F364 L375 K383 I384 S390 A391	L127-F387 HydrophobicContact CD1-CD2 3.83Å; L127-F387 HydrophobicContact CD1-CE2 4.14Å; L345-F387 HydrophobicContact CD1-CE1 3.67Å; L345-F387 HydrophobicContact CD1-CZ 3.83Å; I352-F387 HydrophobicContact CD1-CD1 4.12Å; I352-F387 HydrophobicContact CD1-CD2 3.71Å; I352-F387 HydrophobicContact CD1-CE1 4.25Å; I352-F387 HydrophobicContact CD1-CE2 3.87Å; I352-F387 HydrophobicContact CD1-CG 3.85Å; I352-F387 HydrophobicContact CD1-CZ 4.14Å; I352-F387 HydrophobicContact CG1-CD1 4.31Å; I352-F387 HydrophobicContact CG1-CG 4.33Å; V360-F387 HydrophobicContact CG1-CE2 4.37Å; V360-F387 HydrophobicContact CG1-CZ 3.84Å; F364-F387 HydrophobicContact CE2-CZ 4.46Å; F364-F387 HydrophobicContact CZ-CZ 4.07Å; L375-F387 HydrophobicContact CD1-CD1 3.84Å; L375-F387 HydrophobicContact CD1-CE1 3.92Å; K383-F387 WeakPolarHBondContact O-CB 3.33Å; K383-F387 PolarHBondContact O-N 3.19Å; I384-F387 PolarHBondContact O-N 3.22Å; F387-S390 PolarHBondContact O-N 2.89Å; F387-S390 PolarHBondContact O-OG 3.34Å; F387-A391 HydrophobicContact CE1-CB 4.43Å; F387-A391 HydrophobicContact CZ-CB 4.32Å; F387-A391 VanDerWaalsContact O-CB 3.26Å; F387-A391 WeakPolarHBondContact O-CB 3.46Å; F387-A391 PolarHBondContact O-N 2.95Å
388	A	87.3	Confident	85.4	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.008	16%	0.164	C	C	.	.	H	α-helix	trans	-62.9	-46.3	179	0	0	0	0	0	112.7	I223 L375 I384 Q385 S390 A391 L392	I223-A388 HydrophobicContact CD1-CB 3.74Å; I223-A388 HydrophobicContact CG1-CB 4.37Å; L375-A388 HydrophobicContact CD1-CB 3.95Å; I384-A388 VanDerWaalsContact O-CB 3.26Å; I384-A388 WeakPolarHBondContact O-CB 3.33Å; I384-A388 PolarHBondContact O-N 2.95Å; Q385-A388 PolarHBondContact O-N 3.49Å; A388-S390 PolarHBondContact O-N 3.34Å; A388-S390 VanDerWaalsContact O-N 3.11Å; A388-A391 PolarHBondContact O-N 3.23Å; A388-L392 HydrophobicContact CB-CD1 4.06Å; A388-L392 VanDerWaalsContact O-CD1 3.3Å; A388-L392 WeakPolarHBondContact O-CD1 3.48Å; A388-L392 PolarHBondContact O-N 2.9Å
389	K	84	Confident	85.8	Confident	146 Å²	146	33 Å²	33	64%	0.635	17%	0.165	S	C	*	.	H	α-helix	trans	-57.2	-24.6	176.1	-77.2	169.2	-175	170.8	0	114	Q385	Q385-K389 WeakPolarHBondContact O-CB 3.35Å; Q385-K389 VanDerWaalsContact O-CG 3.24Å; Q385-K389 WeakPolarHBondContact O-CG 3.22Å; Q385-K389 PolarHBondContact O-N 3.13Å
390	S	81.1	Confident	86.1	Confident	34 Å²	34	32.9 Å²	32.9	24%	0.238	17%	0.165	C	C	.	.	H	α-helix	trans	-102.5	-17.8	-178.9	55.2	0	0	0	0	113.8	L127 N386 F387 A388	L127-S390 CarbonylContact C-O 3.43Å; L127-S390 VanDerWaalsContact CD1-OG 3.26Å; L127-S390 WeakPolarHBondContact CD1-OG 3.16Å; L127-S390 WeakPolarHBondContact CG-OG 3.44Å; N386-S390 PolarHBondContact O-N 3.37Å; N386-S390 PolarHBondContact O-OG 3.48Å; F387-S390 PolarHBondContact O-N 2.89Å; F387-S390 PolarHBondContact O-OG 3.34Å; A388-S390 PolarHBondContact O-N 3.34Å; A388-S390 VanDerWaalsContact O-N 3.11Å
391	A	85.3	Confident	85.3	Confident	8 Å²	8	32.7 Å²	32.7	7%	0.066	17%	0.171	C	C	.	.	H	α-helix	trans	-100.3	-23.3	-179.5	0	0	0	0	0	114.8	F364 F387 A388	F364-A391 HydrophobicContact CE2-CB 3.53Å; F364-A391 HydrophobicContact CZ-CB 3.81Å; F387-A391 HydrophobicContact CE1-CB 4.43Å; F387-A391 HydrophobicContact CZ-CB 4.32Å; F387-A391 VanDerWaalsContact O-CB 3.26Å; F387-A391 WeakPolarHBondContact O-CB 3.46Å; F387-A391 PolarHBondContact O-N 2.95Å; A388-A391 PolarHBondContact O-N 3.23Å
392	L	89.3	Confident	84.3	Confident	14 Å²	14	40.1 Å²	40.1	7%	0.073	20%	0.197	C	C	.	.	S	Bend	trans	-114.8	153.9	-174.2	-68	83.3	0	0	0	112.6	D221 M222 I223 T373 L375 A388 P395	D221-L392 HydrophobicContact CB-CB 4.15Å; D221-L392 HydrophobicContact CB-CD2 4.18Å; D221-L392 HydrophobicContact CB-CG 4.43Å; D221-L392 VanDerWaalsContact OD2-CA 3.3Å; D221-L392 WeakPolarHBondContact OD2-CA 3.27Å; M222-L392 WeakPolarHBondContact O-CD2 3.44Å; I223-L392 HydrophobicContact CG1-CD2 3.78Å; T373-L392 HydrophobicContact CG2-CD1 4.32Å; T373-L392 HydrophobicContact CG2-CG 4.04Å; T373-L392 WeakPolarHBondContact O-CD2 3.39Å; L375-L392 HydrophobicContact CB-CD1 4.25Å; L375-L392 HydrophobicContact CB-CD2 4.28Å; L375-L392 HydrophobicContact CD1-CD1 4.09Å; A388-L392 HydrophobicContact CB-CD1 4.06Å; A388-L392 VanDerWaalsContact O-CD1 3.3Å; A388-L392 WeakPolarHBondContact O-CD1 3.48Å; A388-L392 PolarHBondContact O-N 2.9Å; L392-P395 HydrophobicContact CB-CB 4Å; L392-P395 HydrophobicContact CB-CG 3.99Å; L392-P395 HydrophobicContact CD2-CB 3.72Å; L392-P395 HydrophobicContact CD2-CG 4.37Å
393	V	89	Confident	82.8	Confident	37 Å²	37	39.8 Å²	39.8	22%	0.224	20%	0.203	C	C	.	.	S	Bend	trans	-110.3	107.3	-178.9	179.2	0	0	0	0	110.8	Y139 D221	Y139-V393 VanDerWaalsContact O-CG1 3.27Å; Y139-V393 WeakPolarHBondContact O-CG1 3.3Å; D221-V393 PolarHBondContact OD2-N 2.94Å
394	K	88.5	Confident	81.3	Confident	109 Å²	109	38 Å²	38	47%	0.474	20%	0.2	S	C	.	.	S	Bend	trans	42.2	57.6	-175.8	-67.8	-177.1	176.9	168.6	0	112.6	D140 R220	D140-K394 WeakPolarHBondContact O-CE 3.4Å; D140-K394 PolarHBondContact O-NZ 3.08Å; R220-K394 PolarHBondContact NH2-O 3.33Å
395	P	94.1	Very high	79.7	Confident	28 Å²	28	38.7 Å²	38.7	18%	0.182	21%	0.207	C	C	.	.			trans	-65.5	153.1	-175.7	29	-35.5	0	0	0	112	D221 I223 L392	D221-P395 HydrophobicContact CB-CB 4.13Å; D221-P395 CarbonylContact O-C 3.53Å; D221-P395 VanDerWaalsContact O-CA 3.29Å; D221-P395 WeakPolarHBondContact O-CA 3.46Å; I223-P395 HydrophobicContact CD1-CB 4.22Å; I223-P395 HydrophobicContact CD1-CG 3.96Å; I223-P395 HydrophobicContact CG1-CB 4.03Å; I223-P395 HydrophobicContact CG1-CG 4.32Å; L392-P395 HydrophobicContact CB-CB 4Å; L392-P395 HydrophobicContact CB-CG 3.99Å; L392-P395 HydrophobicContact CD2-CB 3.72Å; L392-P395 HydrophobicContact CD2-CG 4.37Å
396	V	94.9	Very high	78.4	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	116	161.6	178.9	0	0	0	0	107.9	E173 V177 R220 D221 M222 I223 V398	E173-V396 WeakPolarHBondContact O-CA 3.2Å; V177-V396 HydrophobicContact CG1-CG1 3.91Å; V177-V396 HydrophobicContact CG2-CG1 4.21Å; R220-V396 HydrophobicContact CB-CG2 4.25Å; R220-V396 HydrophobicContact CG-CG2 4.3Å; D221-V396 PolarHBondContact O-N 2.69Å; M222-V396 WeakPolarHBondContact CA-O 3.26Å; I223-V396 PolarHBondContact N-O 3.49Å; V396-V398 HydrophobicContact CG1-CG2 3.8Å
397	T	94.7	Very high	77.4	Confident	18 Å²	18	34.1 Å²	34.1	11%	0.11	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	131.3	167	-50.3	0	0	0	0	108.3	T172 E173 I223 I225	T172-T397 VanDerWaalsContact CA-O 3.27Å; T172-T397 WeakPolarHBondContact CA-O 3.22Å; E173-T397 PolarHBondContact N-O 3.04Å; E173-T397 PolarHBondContact O-N 3.34Å; E173-T397 PolarHBondContact OE2-OG1 2.74Å; I223-T397 HydrophobicContact CB-CG2 4.33Å; I223-T397 HydrophobicContact CG2-CG2 4.36Å; I223-T397 WeakPolarHBondContact O-CA 3.45Å; I225-T397 HydrophobicContact CD1-CG2 3.91Å
398	V	94.4	Very high	76.6	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	107.2	173.3	-173.6	0	0	0	0	107.5	I170 T172 I208 Q211 M222 I223 I225 V396 V400	I170-V398 HydrophobicContact CG2-CG1 3.86Å; T172-V398 HydrophobicContact CG2-CG2 4.49Å; I208-V398 HydrophobicContact CD1-CB 4.1Å; I208-V398 HydrophobicContact CD1-CG1 3.73Å; Q211-V398 HydrophobicContact CB-CG1 3.81Å; Q211-V398 HydrophobicContact CG-CB 4.41Å; Q211-V398 HydrophobicContact CG-CG1 3.67Å; Q211-V398 HydrophobicContact CG-CG2 3.79Å; M222-V398 HydrophobicContact CE-CB 3.69Å; M222-V398 HydrophobicContact CE-CG1 4.33Å; M222-V398 HydrophobicContact CE-CG2 3.75Å; M222-V398 HydrophobicContact CG-CG2 4.31Å; I223-V398 PolarHBondContact O-N 3.15Å; I225-V398 PolarHBondContact N-O 2.96Å; V396-V398 HydrophobicContact CG1-CG2 3.8Å; V398-V400 HydrophobicContact CG1-CG2 4.23Å
399	N	90.2	Very high	76.2	Confident	26 Å²	26	41.7 Å²	41.7	14%	0.139	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	129.4	178.2	-173.7	7	0	0	0	109.6	L171 I225 G401	L171-N399 HydrophobicContact CB-CB 4.27Å; L171-N399 PolarHBondContact N-O 3.12Å; L171-N399 PolarHBondContact O-N 3.2Å; I225-N399 HydrophobicContact CB-CB 4.07Å; I225-N399 HydrophobicContact CD1-CB 4.21Å; I225-N399 WeakPolarHBondContact CG2-OD1 3.33Å; I225-N399 WeakPolarHBondContact O-CA 3.45Å; N399-G401 PolarHBondContact OD1-O 2.94Å
400	V	81.2	Confident	76.4	Confident	10 Å²	10	34.7 Å²	34.7	6%	0.061	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	116.8	-173.6	167.1	0	0	0	0	110.5	I170 P207 I208 I225 V398	I170-V400 HydrophobicContact CB-CG2 4.43Å; I170-V400 HydrophobicContact CG1-CG2 4.17Å; I170-V400 HydrophobicContact CG2-CG2 4.08Å; P207-V400 HydrophobicContact CB-CG1 3.73Å; P207-V400 HydrophobicContact CB-CG2 4.2Å; P207-V400 HydrophobicContact CG-CG1 4.31Å; I208-V400 HydrophobicContact CB-CB 4.14Å; I208-V400 HydrophobicContact CB-CG1 4.32Å; I208-V400 HydrophobicContact CB-CG2 3.96Å; I208-V400 HydrophobicContact CD1-CB 4.4Å; I208-V400 HydrophobicContact CD1-CG2 3.99Å; I225-V400 PolarHBondContact O-N 3.04Å; V398-V400 HydrophobicContact CG1-CG2 4.23Å
401	G	66.2	Low	76.8	Confident	29 Å²	29	36.1 Å²	36.1	30%	0.299	20%	0.201	S	C	.	.	S	Bend	trans	84.8	-173.4	-154.9	0	0	0	0	0	110.3	N399	N399-G401 PolarHBondContact OD1-O 2.94Å
402	R	54.5	Low	77.2	Confident	166 Å²	166	35.8 Å²	35.8	63%	0.626	20%	0.198	S	C	*	.	S	Bend	trans	-89.8	145	163.1	-65.6	-173.4	-179.9	176.5	-2.7	108.3	G404 A405 E556	R402-G404 PolarHBondContact O-N 3.43Å; R402-A405 HydrophobicContact CB-CB 4.11Å; R402-A405 VanDerWaalsContact O-CB 3.27Å; R402-A405 WeakPolarHBondContact O-CB 3.06Å; R402-A405 PolarHBondContact O-N 3.3Å; R402-A405 VanDerWaalsContact O-N 3.12Å; R402-E556 WeakPolarHBondContact CB-OE1 3.38Å; R402-E556 WeakPolarHBondContact CD-OE1 3.39Å; R402-E556 IonicContact NE-OE1 3.25Å; R402-E556 IonicContact NH1-OE1 3.44Å; R402-E556 PolarHBondContact NH1-OE1 3.43Å
403	A	46.3	Very low	77.4	Confident	37 Å²	37	37.8 Å²	37.8	31%	0.306	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	133.5	-177.3	0	0	0	0	0	109.6	I225 A405	I225-A403 HydrophobicContact CG2-CB 3.92Å; A403-A405 PolarHBondContact O-N 2.67Å
404	G	48	Very low	77.7	Confident	18 Å²	18	36.6 Å²	36.6	19%	0.186	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	-7.4	-174.9	0	0	0	0	0	116	A378 R402 A406 V519	A378-G404 PolarHBondContact O-N 3.28Å; R402-G404 PolarHBondContact O-N 3.43Å; G404-A406 PolarHBondContact O-N 3.12Å; G404-V519 WeakPolarHBondContact O-CG2 3.5Å
405	A	51.4	Low	78	Confident	17 Å²	17	33.3 Å²	33.3	14%	0.14	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-62.6	136.4	175.7	0	0	0	0	0	111.1	R402 A403	R402-A405 HydrophobicContact CB-CB 4.11Å; R402-A405 VanDerWaalsContact O-CB 3.27Å; R402-A405 WeakPolarHBondContact O-CB 3.06Å; R402-A405 PolarHBondContact O-N 3.3Å; R402-A405 VanDerWaalsContact O-N 3.12Å; A403-A405 PolarHBondContact O-N 2.67Å
406	A	57	Low	78	Confident	5 Å²	5	36.8 Å²	36.8	4%	0.041	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-54.8	152.8	166.1	0	0	0	0	0	110.6	G404 M408 I522 L553 A557	G404-A406 PolarHBondContact O-N 3.12Å; A406-M408 PolarHBondContact O-N 3.02Å; A406-M408 VanDerWaalsContact O-N 3.14Å; A406-I522 HydrophobicContact CB-CD1 3.61Å; A406-L553 HydrophobicContact CB-CD2 4.29Å; A406-A557 HydrophobicContact CB-CB 4.42Å
407	S	63.6	Low	78	Confident	9 Å²	9	37.1 Å²	37.1	6%	0.063	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-57.2	123.4	168	174.7	0	0	0	0	108.3	N409 V410 G526	S407-N409 PolarHBondContact O-N 3Å; S407-V410 WeakPolarHBondContact O-CB 3.17Å; S407-V410 PolarHBondContact O-N 3.28Å; S407-G526 PolarHBondContact OG-O 2.68Å
408	M	67.8	Low	77.9	Confident	112 Å²	112	42.8 Å²	42.8	55%	0.552	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-14.4	179.1	-66	-60.3	-50.6	0	0	113.3	A406 V410	A406-M408 PolarHBondContact O-N 3.02Å; A406-M408 VanDerWaalsContact O-N 3.14Å; M408-V410 VanDerWaalsContact C-N 3.3Å
409	N	78.6	Confident	77.7	Confident	52 Å²	52	47.1 Å²	47.1	28%	0.278	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-4.1	174.8	-59.2	-18.6	0	0	0	113.1	S407 G526 G528 Q530 R531 G532	S407-N409 PolarHBondContact O-N 3Å; N409-G526 WeakPolarHBondContact CB-O 3.26Å; N409-G526 PolarHBondContact ND2-O 2.86Å; N409-G528 PolarHBondContact ND2-O 2.71Å; N409-Q530 WeakPolarHBondContact CB-O 3.17Å; N409-R531 CarbonylContact O-C 3.56Å; N409-R531 VanDerWaalsContact O-CA 3.26Å; N409-R531 WeakPolarHBondContact O-CA 3.36Å; N409-G532 PolarHBondContact O-N 2.84Å
410	V	87.3	Confident	77.7	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	107.8	-178.2	-176.8	0	0	0	0	109.8	S407 M408 Q412 I522 T525 G532 A534	S407-V410 WeakPolarHBondContact O-CB 3.17Å; S407-V410 PolarHBondContact O-N 3.28Å; M408-V410 VanDerWaalsContact C-N 3.3Å; V410-Q412 HydrophobicContact CG1-CG 4.32Å; V410-Q412 PolarHBondContact O-N 3.19Å; V410-I522 HydrophobicContact CG1-CB 4.26Å; V410-T525 HydrophobicContact CG1-CG2 3.96Å; V410-T525 HydrophobicContact CG2-CG2 4.07Å; V410-G532 CarbonylContact C-O 3.56Å; V410-G532 WeakPolarHBondContact CA-O 3.48Å; V410-A534 HydrophobicContact CG1-CB 3.54Å
411	T	91.4	Very high	78.3	Confident	64 Å²	64	54.5 Å²	54.5	39%	0.393	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	124.4	167.5	-56.6	0	0	0	0	108.4	G532 L533 A534	T411-G532 PolarHBondContact N-O 3.31Å; T411-L533 HydrophobicContact CG2-CD1 3.95Å; T411-A534 PolarHBondContact O-N 2.8Å
412	Q	92.7	Very high	79.6	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	118.1	-178.6	-70	161.5	84.1	0	0	109.9	V410 Y518 I522 A534 L553 L554 Q559	V410-Q412 HydrophobicContact CG1-CG 4.32Å; V410-Q412 PolarHBondContact O-N 3.19Å; Q412-Y518 PolarHBondContact OE1-OH 2.71Å; Q412-I522 HydrophobicContact CG-CD1 3.88Å; Q412-A534 WeakPolarHBondContact CA-O 3.36Å; Q412-A534 HydrophobicContact CG-CB 4.37Å; Q412-L553 VanDerWaalsContact OE1-CD2 3.27Å; Q412-L554 HydrophobicContact CB-CD2 3.71Å; Q412-Q559 HydrophobicContact CB-CB 4.43Å; Q412-Q559 HydrophobicContact CB-CG 4.07Å; Q412-Q559 HydrophobicContact CG-CG 4.48Å
413	E	93.6	Very high	81.4	Confident	56 Å²	56	47.4 Å²	47.4	26%	0.262	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	130.2	171.3	-66	178.2	135	0	0	109.1	K432 L533 A534 T535 T536	E413-K432 IonicContact OE1-NZ 3.62Å; E413-K432 PolarHBondContact OE1-NZ 3.11Å; E413-K432 WeakPolarHBondContact OE2-CD 3.33Å; E413-K432 IonicContact OE2-NZ 3.54Å; E413-K432 PolarHBondContact OE2-NZ 2.91Å; E413-L533 HydrophobicContact CG-CD1 3.93Å; E413-A534 PolarHBondContact N-O 2.88Å; E413-T535 HydrophobicContact CB-CG2 4.31Å; E413-T535 CarbonylContact O-C 3.59Å; E413-T535 WeakPolarHBondContact O-CA 3.11Å; E413-T535 PolarHBondContact OE2-OG1 3.39Å; E413-T536 PolarHBondContact O-N 2.93Å
414	V	94.7	Very high	83.5	Confident	12 Å²	12	49 Å²	49	7%	0.073	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	119.7	178.6	179.4	0	0	0	0	108.7	I538 L550 L554 P562 F564 L565	V414-I538 HydrophobicContact CG1-CD1 3.27Å; V414-I538 HydrophobicContact CG1-CG1 3.87Å; V414-L550 HydrophobicContact CG1-CD2 4.16Å; V414-L550 HydrophobicContact CG2-CD2 4.21Å; V414-L554 HydrophobicContact CG2-CD1 3.93Å; V414-L554 HydrophobicContact CG2-CD2 4.27Å; V414-P562 HydrophobicContact CB-CG 3.9Å; V414-P562 HydrophobicContact CG1-CG 4.32Å; V414-P562 WeakPolarHBondContact O-CG 3.3Å; V414-F564 HydrophobicContact CG1-CZ 4.17Å; V414-L565 HydrophobicContact CG1-CD1 4.11Å
415	E	94.7	Very high	85.7	Confident	40 Å²	40	51 Å²	51	19%	0.187	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	129.8	-170	-63.2	-177.1	156.2	0	0	109.9	V417 H425 K432 T535 T536 F537 I538	E415-V417 HydrophobicContact CB-CG2 4Å; E415-V417 PolarHBondContact O-N 2.62Å; E415-H425 IonicContact OE2-CD2 3.99Å; E415-H425 PolarHBondContact OE2-CD2 3.28Å; E415-H425 IonicContact OE2-CE1 3.02Å; E415-H425 IonicContact OE2-NE2 2.73Å; E415-H425 PolarHBondContact OE2-NE2 3.36Å; E415-K432 IonicContact OE1-NZ 3.53Å; E415-K432 PolarHBondContact OE1-NZ 3.19Å; E415-T535 HydrophobicContact CG-CG2 4.19Å; E415-T535 WeakPolarHBondContact OE2-CG2 3.49Å; E415-T536 PolarHBondContact N-O 2.84Å; E415-F537 HydrophobicContact CB-CD1 4.38Å; E415-F537 WeakPolarHBondContact O-CA 3.42Å; E415-F537 WeakPolarHBondContact OE2-CE1 3.33Å; E415-I538 PolarHBondContact O-N 2.85Å
416	Y	94.1	Very high	87.8	Confident	101 Å²	101	50.1 Å²	50.1	40%	0.396	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	113.2	172.6	-178.4	-86	0	0	0	109.9	K418 I538 K540	Y416-K418 HydrophobicContact CE1-CG 4.35Å; Y416-I538 CarbonylContact C-O 3.52Å; Y416-I538 WeakPolarHBondContact CA-O 3.29Å; Y416-K540 HydrophobicContact CE2-CG 4.32Å; Y416-K540 WeakPolarHBondContact OH-CG 3.49Å
417	V	94.7	Very high	89.5	Confident	7 Å²	7	51.8 Å²	51.8	4%	0.042	26%	0.261	C	S	.	.			trans	-132.5	117.8	-174.7	-168.7	0	0	0	0	110.1	E415 A421 K422 H425 F537 I538 N539	E415-V417 HydrophobicContact CB-CG2 4Å; E415-V417 PolarHBondContact O-N 2.62Å; V417-A421 HydrophobicContact CG1-CB 4.1Å; V417-K422 HydrophobicContact CB-CG 4.34Å; V417-K422 HydrophobicContact CG1-CB 4.39Å; V417-K422 HydrophobicContact CG1-CG 3.99Å; V417-H425 HydrophobicContact CG1-CB 3.93Å; V417-F537 HydrophobicContact CB-CB 4.25Å; V417-F537 HydrophobicContact CB-CG 4.36Å; V417-F537 HydrophobicContact CG2-CB 4.19Å; V417-F537 HydrophobicContact CG2-CD1 3.77Å; V417-F537 HydrophobicContact CG2-CE1 4.38Å; V417-F537 HydrophobicContact CG2-CG 4Å; V417-I538 PolarHBondContact N-O 2.81Å; V417-N539 WeakPolarHBondContact O-CB 3.46Å
418	K	93.3	Very high	90.8	Very high	137 Å²	137	54.4 Å²	54.4	60%	0.596	28%	0.279	S	S	*	.			trans	-58.7	147	175.4	-63.4	-178.6	-177.5	175.2	0	110.4	Y416 E420 A421 K422	Y416-K418 HydrophobicContact CE1-CG 4.35Å; K418-E420 VanDerWaalsContact C-N 3.27Å; K418-E420 PolarHBondContact O-N 2.77Å; K418-A421 HydrophobicContact CB-CB 4.33Å; K418-A421 WeakPolarHBondContact O-CA 3.23Å; K418-A421 WeakPolarHBondContact O-CB 3.46Å; K418-A421 PolarHBondContact O-N 2.88Å; K418-K422 PolarHBondContact O-N 3.41Å; K418-K422 VanDerWaalsContact O-N 3.13Å
419	H	90.3	Very high	92.1	Very high	90 Å²	90	49 Å²	49	42%	0.417	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-55	-42.3	-172.9	-178.7	66.1	0	0	0	112.6	A421 K422	H419-A421 VanDerWaalsContact C-N 3.25Å; H419-A421 PolarHBondContact O-N 3.36Å; H419-K422 PolarHBondContact O-N 2.83Å
420	E	90.8	Very high	92.8	Very high	150 Å²	150	46.7 Å²	46.7	70%	0.701	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-69.3	-23.3	179.5	-48.1	75.2	-164.6	0	0	112.7	K418	K418-E420 VanDerWaalsContact C-N 3.27Å; K418-E420 PolarHBondContact O-N 2.77Å
421	A	93.4	Very high	93	Very high	42 Å²	42	51.7 Å²	51.7	35%	0.347	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-93	-14.3	-179.1	0	0	0	0	0	113.4	V417 K418 H419 I423 P424 H425	V417-A421 HydrophobicContact CG1-CB 4.1Å; K418-A421 HydrophobicContact CB-CB 4.33Å; K418-A421 WeakPolarHBondContact O-CA 3.23Å; K418-A421 WeakPolarHBondContact O-CB 3.46Å; K418-A421 PolarHBondContact O-N 2.88Å; H419-A421 VanDerWaalsContact C-N 3.25Å; H419-A421 PolarHBondContact O-N 3.36Å; A421-I423 PolarHBondContact O-N 3.12Å; A421-P424 WeakPolarHBondContact O-CD 3.23Å; A421-H425 WeakPolarHBondContact O-CB 3.46Å; A421-H425 PolarHBondContact O-N 3.43Å
422	K	93.9	Very high	93.1	Very high	3 Å²	3	51.8 Å²	51.8	1%	0.013	26%	0.258	C	S	.	.	H	α-helix	trans	-57.4	-43.7	-175.9	-68.6	-171.1	177.4	-162.4	0	113.1	V417 K418 H419 H425 L426 Y509 D510 F537	V417-K422 HydrophobicContact CB-CG 4.34Å; V417-K422 HydrophobicContact CG1-CB 4.39Å; V417-K422 HydrophobicContact CG1-CG 3.99Å; K418-K422 PolarHBondContact O-N 3.41Å; K418-K422 VanDerWaalsContact O-N 3.13Å; H419-K422 PolarHBondContact O-N 2.83Å; K422-H425 PolarHBondContact O-N 3.07Å; K422-L426 WeakPolarHBondContact O-CB 3.34Å; K422-L426 PolarHBondContact O-N 3.23Å; K422-Y509 HydrophobicContact CB-CD2 4.09Å; K422-Y509 HydrophobicContact CB-CE1 4.47Å; K422-Y509 HydrophobicContact CB-CE2 3.35Å; K422-Y509 HydrophobicContact CD-CD1 4.2Å; K422-Y509 HydrophobicContact CD-CD2 4.43Å; K422-Y509 HydrophobicContact CD-CE1 3.79Å; K422-Y509 HydrophobicContact CD-CE2 4.07Å; K422-Y509 HydrophobicContact CD-CG 4.49Å; K422-Y509 WeakPolarHBondContact CD-O 3.32Å; K422-Y509 WeakPolarHBondContact CE-O 3.31Å; K422-Y509 HydrophobicContact CG-CE2 4.36Å; K422-Y509 PolarHBondContact NZ-O 2.84Å; K422-D510 IonicContact NZ-OD1 3.85Å; K422-D510 PolarHBondContact NZ-OD1 3.32Å; K422-F537 HydrophobicContact CB-CD2 4.34Å; K422-F537 HydrophobicContact CG-CD2 4.34Å
423	I	92	Very high	93.1	Very high	42 Å²	42	52.4 Å²	52.4	22%	0.215	26%	0.262	C	S	.	.	H	α-helix	trans	-67.3	-48.3	-177.6	-66	-179.9	0	0	0	112.1	A421 L426 Y453 Y509	A421-I423 PolarHBondContact O-N 3.12Å; I423-L426 WeakPolarHBondContact O-CB 3.33Å; I423-Y453 HydrophobicContact CG2-CD1 3.35Å; I423-Y453 HydrophobicContact CG2-CD2 3.58Å; I423-Y453 HydrophobicContact CG2-CE1 3.58Å; I423-Y453 HydrophobicContact CG2-CE2 3.8Å; I423-Y453 HydrophobicContact CG2-CG 3.33Å; I423-Y453 WeakPolarHBondContact O-CE1 3.38Å; I423-Y509 HydrophobicContact CG1-CE2 3.93Å; I423-Y509 WeakPolarHBondContact CG1-OH 3.28Å
424	P	91.2	Very high	93	Very high	70 Å²	70	52.6 Å²	52.6	46%	0.455	27%	0.269	S	S	.	.	H	α-helix	trans	-57.5	-46.1	169.7	-27.8	34.4	0	0	0	113.8	A421 L426 L427	A421-P424 WeakPolarHBondContact O-CD 3.23Å; P424-L426 VanDerWaalsContact C-N 3.27Å; P424-L426 PolarHBondContact O-N 3.18Å; P424-L427 PolarHBondContact O-N 2.92Å
425	H	94.2	Very high	92.8	Very high	60 Å²	60	52.8 Å²	52.8	28%	0.278	27%	0.27	S	S	.	.	H	α-helix	trans	-67.7	-26.1	-175.6	-166.1	80.7	0	0	0	113.1	E415 V417 A421 K422 L427 S428 A429 F537	E415-H425 IonicContact OE2-CD2 3.99Å; E415-H425 PolarHBondContact OE2-CD2 3.28Å; E415-H425 IonicContact OE2-CE1 3.02Å; E415-H425 IonicContact OE2-NE2 2.73Å; E415-H425 PolarHBondContact OE2-NE2 3.36Å; V417-H425 HydrophobicContact CG1-CB 3.93Å; A421-H425 WeakPolarHBondContact O-CB 3.46Å; A421-H425 PolarHBondContact O-N 3.43Å; K422-H425 PolarHBondContact O-N 3.07Å; H425-L427 PolarHBondContact O-N 3.02Å; H425-S428 WeakPolarHBondContact O-CB 3.12Å; H425-S428 PolarHBondContact O-N 3.17Å; H425-A429 PolarHBondContact O-N 3.43Å; H425-F537 AromaticContact CD2-CE1 3.55Å; H425-F537 AromaticContact CD2-CZ 3.72Å
426	L	94.3	Very high	92.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-55	-34.3	172.3	-176.6	66.6	0	0	0	113.2	K422 I423 P424 A429 L430 I439 I450 L454 I507 F537	K422-L426 WeakPolarHBondContact O-CB 3.34Å; K422-L426 PolarHBondContact O-N 3.23Å; I423-L426 WeakPolarHBondContact O-CB 3.33Å; P424-L426 VanDerWaalsContact C-N 3.27Å; P424-L426 PolarHBondContact O-N 3.18Å; L426-A429 PolarHBondContact O-N 3.31Å; L426-L430 HydrophobicContact CG-CD1 4.28Å; L426-L430 WeakPolarHBondContact O-CB 3.18Å; L426-L430 VanDerWaalsContact O-CG 3.31Å; L426-L430 WeakPolarHBondContact O-CG 3.22Å; L426-L430 PolarHBondContact O-N 3.05Å; L426-I439 HydrophobicContact CD1-CD1 3.83Å; L426-I439 HydrophobicContact CD1-CG1 4.19Å; L426-I439 HydrophobicContact CD1-CG2 4.18Å; L426-I439 HydrophobicContact CD2-CD1 3.96Å; L426-I439 HydrophobicContact CG-CD1 4.22Å; L426-I450 HydrophobicContact CD2-CG1 4.4Å; L426-I450 HydrophobicContact CD2-CG2 3.46Å; L426-I450 VanDerWaalsContact CD2-CG2 3.46Å; L426-L454 HydrophobicContact CD2-CD2 4.32Å; L426-I507 HydrophobicContact CD1-CB 4.49Å; L426-I507 HydrophobicContact CD1-CD1 4.02Å; L426-I507 HydrophobicContact CD1-CG2 3.8Å; L426-F537 HydrophobicContact CB-CE2 4.32Å; L426-F537 HydrophobicContact CD1-CE2 4.16Å; L426-F537 HydrophobicContact CD1-CZ 4.44Å
427	L	92.2	Very high	92.8	Very high	40 Å²	40	46.4 Å²	46.4	21%	0.209	24%	0.244	C	C	.	.	H	α-helix	trans	-67.7	-37.5	176	-64.3	175.2	0	0	0	112.1	P424 H425 L430 Q431 Y453 L454 K457	P424-L427 PolarHBondContact O-N 2.92Å; H425-L427 PolarHBondContact O-N 3.02Å; L427-L430 PolarHBondContact O-N 2.97Å; L427-Q431 WeakPolarHBondContact O-CG 3.44Å; L427-Q431 PolarHBondContact O-N 3.45Å; L427-Y453 HydrophobicContact CD1-CE1 3.75Å; L427-Y453 WeakPolarHBondContact CD1-OH 3.28Å; L427-Y453 HydrophobicContact CD2-CE1 4.19Å; L427-Y453 HydrophobicContact CG-CE1 3.85Å; L427-L454 HydrophobicContact CD2-CD2 4.09Å; L427-K457 HydrophobicContact CD1-CD 3.96Å; L427-K457 HydrophobicContact CD1-CG 3.96Å; L427-K457 HydrophobicContact CD2-CB 4.23Å; L427-K457 HydrophobicContact CD2-CG 4.2Å
428	S	92.4	Very high	92.8	Very high	63 Å²	63	46 Å²	46	44%	0.441	24%	0.242	S	C	.	.	H	α-helix	trans	-68.3	-39.4	175.6	-59.6	0	0	0	0	111.1	H425 Q431	H425-S428 WeakPolarHBondContact O-CB 3.12Å; H425-S428 PolarHBondContact O-N 3.17Å; S428-Q431 PolarHBondContact O-N 2.74Å
429	A	94	Very high	92.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.2	-45.2	171.5	0	0	0	0	0	111.7	H425 L426 Q431 K432 H505 I507 T535 F537	H425-A429 PolarHBondContact O-N 3.43Å; L426-A429 PolarHBondContact O-N 3.31Å; A429-Q431 PolarHBondContact O-N 2.94Å; A429-Q431 VanDerWaalsContact O-N 3.13Å; A429-K432 WeakPolarHBondContact O-CB 3.38Å; A429-K432 WeakPolarHBondContact O-CG 3.27Å; A429-K432 PolarHBondContact O-N 2.81Å; A429-K432 VanDerWaalsContact O-N 3.14Å; A429-H505 PolarHBondContact O-CE1 2.93Å; A429-I507 HydrophobicContact CB-CD1 3.87Å; A429-T535 HydrophobicContact CB-CG2 4.43Å; A429-F537 HydrophobicContact CB-CE1 4.15Å; A429-F537 HydrophobicContact CB-CZ 3.83Å
430	L	93.9	Very high	93.2	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-61.2	-19.3	176.8	-77.6	168.4	0	0	0	114.4	L426 L427 V437 L454 V487 I507	L426-L430 HydrophobicContact CG-CD1 4.28Å; L426-L430 WeakPolarHBondContact O-CB 3.18Å; L426-L430 VanDerWaalsContact O-CG 3.31Å; L426-L430 WeakPolarHBondContact O-CG 3.22Å; L426-L430 PolarHBondContact O-N 3.05Å; L427-L430 PolarHBondContact O-N 2.97Å; L430-V437 HydrophobicContact CD2-CB 3.94Å; L430-V437 HydrophobicContact CD2-CG1 3.72Å; L430-V437 HydrophobicContact CD2-CG2 3.96Å; L430-L454 HydrophobicContact CD1-CD2 3.45Å; L430-L454 VanDerWaalsContact CD1-CD2 3.45Å; L430-V487 HydrophobicContact CD2-CG1 4.44Å; L430-V487 HydrophobicContact CD2-CG2 3.8Å; L430-I507 HydrophobicContact CD2-CD1 3.99Å; L430-I507 HydrophobicContact CG-CD1 4.05Å
431	Q	92.2	Very high	93.4	Very high	105 Å²	105	28.1 Å²	28.1	49%	0.491	16%	0.161	S	C	.	.	H	α-helix	trans	-79.1	-18.9	177.8	-77.3	172.3	-7	0	0	114	L427 S428 A429 T433	L427-Q431 WeakPolarHBondContact O-CG 3.44Å; L427-Q431 PolarHBondContact O-N 3.45Å; S428-Q431 PolarHBondContact O-N 2.74Å; A429-Q431 PolarHBondContact O-N 2.94Å; A429-Q431 VanDerWaalsContact O-N 3.13Å; Q431-T433 VanDerWaalsContact C-N 3.26Å; Q431-T433 PolarHBondContact O-N 3.22Å
432	K	92.6	Very high	93.2	Very high	65 Å²	65	30.7 Å²	30.7	28%	0.283	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-19.2	-174.3	-60.6	-173.2	-178.5	-168.2	0	114.4	E413 E415 A429 L533	E413-K432 IonicContact OE1-NZ 3.62Å; E413-K432 PolarHBondContact OE1-NZ 3.11Å; E413-K432 WeakPolarHBondContact OE2-CD 3.33Å; E413-K432 IonicContact OE2-NZ 3.54Å; E413-K432 PolarHBondContact OE2-NZ 2.91Å; E415-K432 IonicContact OE1-NZ 3.53Å; E415-K432 PolarHBondContact OE1-NZ 3.19Å; A429-K432 WeakPolarHBondContact O-CB 3.38Å; A429-K432 WeakPolarHBondContact O-CG 3.27Å; A429-K432 PolarHBondContact O-N 2.81Å; A429-K432 VanDerWaalsContact O-N 3.14Å; K432-L533 HydrophobicContact CB-CD2 3.83Å; K432-L533 HydrophobicContact CD-CD2 4.06Å
433	T	92	Very high	93.1	Very high	14 Å²	14	37 Å²	37	9%	0.086	19%	0.189	C	C	.	.	S	Bend	trans	-145.6	156.2	-174.3	60.9	0	0	0	0	112.6	Q431 H505 L533	Q431-T433 VanDerWaalsContact C-N 3.26Å; Q431-T433 PolarHBondContact O-N 3.22Å; T433-H505 HydrophobicContact CG2-CB 4.02Å; T433-H505 WeakPolarHBondContact OG1-CB 3.48Å; T433-H505 PolarHBondContact OG1-ND1 3.13Å; T433-L533 HydrophobicContact CG2-CB 3.92Å; T433-L533 HydrophobicContact CG2-CD2 3.65Å; T433-L533 HydrophobicContact CG2-CG 4.44Å
434	P	91.8	Very high	93.1	Very high	61 Å²	61	41.2 Å²	41.2	40%	0.396	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-72.2	151.1	164.3	30.5	-33.8	0	0	0	111.2	N504	P434-N504 VanDerWaalsContact O-CB 3.28Å; P434-N504 WeakPolarHBondContact O-CB 3.47Å; P434-N504 PolarHBondContact O-ND2 3.11Å
435	P	91.2	Very high	93.2	Very high	16 Å²	16	44.5 Å²	44.5	10%	0.104	22%	0.215	C	C	.	.	S	Bend	trans	-68.2	160.2	176.4	28.3	-29.4	0	0	0	111.7	Y23 D486 N504	Y23-P435 HydrophobicContact CD2-CG 4.43Å; Y23-P435 HydrophobicContact CE2-CB 4.28Å; Y23-P435 HydrophobicContact CE2-CG 3.9Å; P435-D486 HydrophobicContact CB-CB 3.69Å; P435-D486 WeakPolarHBondContact CB-O 3.3Å; P435-D486 WeakPolarHBondContact CB-OD1 3.4Å; P435-D486 HydrophobicContact CG-CB 3.99Å; P435-D486 WeakPolarHBondContact CG-OD1 3.37Å; P435-N504 PolarHBondContact O-ND2 3.33Å; P435-N504 VanDerWaalsContact O-ND2 3.12Å
436	P	93.3	Very high	93.2	Very high	6 Å²	6	42.9 Å²	42.9	4%	0.039	21%	0.209	C	C	.	.	P	Polyproline II helix	cis	-85.1	143.9	13.8	30.8	-31.3	0	0	0	114.7	F480 D486 E502 N504	P436-F480 HydrophobicContact CB-CE1 4.49Å; P436-F480 HydrophobicContact CB-CE2 3.9Å; P436-F480 HydrophobicContact CB-CZ 3.7Å; P436-D486 WeakPolarHBondContact CA-O 3.46Å; P436-E502 WeakPolarHBondContact CD-O 3.34Å; P436-E502 VanDerWaalsContact CG-O 3.26Å; P436-E502 WeakPolarHBondContact CG-O 3.47Å; P436-N504 PolarHBondContact O-N 2.91Å; P436-N504 VanDerWaalsContact O-N 3.13Å
437	V	94.6	Very high	93.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	140.6	178.3	-172.8	0	0	0	0	111	L430 F480 D486 V487 L488 H505 I507	L430-V437 HydrophobicContact CD2-CB 3.94Å; L430-V437 HydrophobicContact CD2-CG1 3.72Å; L430-V437 HydrophobicContact CD2-CG2 3.96Å; V437-F480 WeakPolarHBondContact O-CZ 3.28Å; V437-D486 PolarHBondContact N-O 3.45Å; V437-V487 HydrophobicContact CB-CG2 4.38Å; V437-V487 WeakPolarHBondContact O-CA 3.25Å; V437-L488 PolarHBondContact O-N 3.21Å; V437-H505 WeakPolarHBondContact CA-O 3.41Å; V437-H505 HydrophobicContact CB-CB 4.48Å; V437-H505 HydrophobicContact CG1-CB 4.01Å; V437-H505 WeakPolarHBondContact CG1-O 3.13Å; V437-H505 HydrophobicContact CG2-CB 4.09Å; V437-I507 HydrophobicContact CG1-CD1 3.86Å; V437-I507 HydrophobicContact CG1-CG1 4.09Å
438	I	94.6	Very high	93.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	132.8	168.8	-60	-164	0	0	0	110.8	F440 F480 L488 F500 I503 H505 V506 I507	I438-F440 HydrophobicContact CB-CZ 4.49Å; I438-F440 HydrophobicContact CG2-CD1 4.18Å; I438-F440 HydrophobicContact CG2-CD2 4.39Å; I438-F440 HydrophobicContact CG2-CE1 3.59Å; I438-F440 HydrophobicContact CG2-CE2 3.88Å; I438-F440 HydrophobicContact CG2-CZ 3.44Å; I438-F440 VanDerWaalsContact CG2-CZ 3.44Å; I438-F480 HydrophobicContact CD1-CE1 3.9Å; I438-F480 HydrophobicContact CD1-CZ 4.25Å; I438-F480 HydrophobicContact CG1-CE1 3.9Å; I438-F480 HydrophobicContact CG1-CZ 3.7Å; I438-L488 CarbonylContact C-O 3.57Å; I438-L488 WeakPolarHBondContact CA-O 3.35Å; I438-L488 HydrophobicContact CD1-CD2 4.13Å; I438-L488 HydrophobicContact CG1-CB 4.35Å; I438-F500 HydrophobicContact CD1-CB 4.27Å; I438-F500 HydrophobicContact CD1-CD1 4.35Å; I438-F500 HydrophobicContact CD1-CD2 3.24Å; I438-F500 HydrophobicContact CD1-CE2 3.49Å; I438-F500 VanDerWaalsContact CD1-CE2 3.49Å; I438-F500 HydrophobicContact CD1-CG 3.71Å; I438-F500 HydrophobicContact CD1-CZ 4.14Å; I438-I503 HydrophobicContact CD1-CD1 3.34Å; I438-I503 HydrophobicContact CD1-CG1 4.01Å; I438-I503 HydrophobicContact CG1-CD1 3.84Å; I438-I503 HydrophobicContact CG1-CG1 4.1Å; I438-I503 HydrophobicContact CG1-CG2 4.4Å; I438-H505 PolarHBondContact N-O 2.94Å; I438-V506 CarbonylContact O-C 3.57Å; I438-V506 WeakPolarHBondContact O-CA 3.43Å; I438-I507 PolarHBondContact O-N 3.48Å
439	I	96	Very high	93.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	123.9	176.5	-55.3	166	0	0	0	109	L426 I450 L454 V487 L488 V489 A490 I507	L426-I439 HydrophobicContact CD1-CD1 3.83Å; L426-I439 HydrophobicContact CD1-CG1 4.19Å; L426-I439 HydrophobicContact CD1-CG2 4.18Å; L426-I439 HydrophobicContact CD2-CD1 3.96Å; L426-I439 HydrophobicContact CG-CD1 4.22Å; I439-I450 HydrophobicContact CD1-CG2 4.3Å; I439-I450 HydrophobicContact CG2-CD1 4.49Å; I439-L454 HydrophobicContact CD1-CD1 3.81Å; I439-V487 HydrophobicContact CD1-CG1 3.41Å; I439-V487 VanDerWaalsContact CD1-CG1 3.41Å; I439-V487 HydrophobicContact CG1-CG1 3.97Å; I439-L488 PolarHBondContact N-O 2.67Å; I439-V489 HydrophobicContact CB-CG1 4.3Å; I439-V489 HydrophobicContact CD1-CG2 4.29Å; I439-V489 HydrophobicContact CG2-CG1 4.36Å; I439-V489 CarbonylContact O-C 3.57Å; I439-V489 WeakPolarHBondContact O-CA 3.06Å; I439-A490 PolarHBondContact O-N 2.9Å; I439-I507 CarbonylContact C-O 3.52Å; I439-I507 VanDerWaalsContact CA-O 3.3Å; I439-I507 WeakPolarHBondContact CA-O 2.81Å; I439-I507 HydrophobicContact CG1-CB 4.19Å; I439-I507 HydrophobicContact CG1-CD1 4.35Å
440	F	95.8	Very high	93.6	Very high	1 Å²	1	42.5 Å²	42.5	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	119.9	174.3	-64.6	-59.1	0	0	0	111.4	I438 A490 S495 V506 I507 Y509 D510 R521 R524	I438-F440 HydrophobicContact CB-CZ 4.49Å; I438-F440 HydrophobicContact CG2-CD1 4.18Å; I438-F440 HydrophobicContact CG2-CD2 4.39Å; I438-F440 HydrophobicContact CG2-CE1 3.59Å; I438-F440 HydrophobicContact CG2-CE2 3.88Å; I438-F440 HydrophobicContact CG2-CZ 3.44Å; I438-F440 VanDerWaalsContact CG2-CZ 3.44Å; F440-A490 WeakPolarHBondContact CA-O 2.94Å; F440-S495 WeakPolarHBondContact CE1-OG 3.48Å; F440-V506 HydrophobicContact CD2-CG1 3.72Å; F440-V506 HydrophobicContact CE2-CG1 3.68Å; F440-I507 PolarHBondContact N-O 3.24Å; F440-Y509 WeakPolarHBondContact O-CB 3.23Å; F440-Y509 PolarHBondContact O-N 3.11Å; F440-D510 PolarHBondContact O-N 3.23Å; F440-R521 HydrophobicContact CB-CG 4.5Å; F440-R521 HydrophobicContact CD2-CB 3.64Å; F440-R521 HydrophobicContact CD2-CG 3.61Å; F440-R521 HydrophobicContact CE2-CB 3.74Å; F440-R521 HydrophobicContact CE2-CG 3.9Å; F440-R521 HydrophobicContact CG-CG 3.99Å; F440-R524 HydrophobicContact CE2-CG 4.18Å; F440-R524 HydrophobicContact CZ-CG 4.03Å
441	A	94.7	Very high	93.7	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.214	C	C	.	.			trans	-121.8	149.3	170.5	0	0	0	0	0	109.5	D446 V447 I450 A490 T491 Y509 D510	A441-D446 HydrophobicContact CB-CB 4.06Å; A441-V447 HydrophobicContact CB-CG2 3.94Å; A441-I450 HydrophobicContact CB-CD1 3.9Å; A441-A490 PolarHBondContact N-O 2.71Å; A441-T491 WeakPolarHBondContact O-CA 3.28Å; A441-Y509 HydrophobicContact CB-CD1 3.93Å; A441-Y509 HydrophobicContact CB-CG 4.36Å; A441-D510 WeakPolarHBondContact CA-OD2 3.4Å
442	E	91	Very high	93.9	Very high	96 Å²	96	45.2 Å²	45.2	45%	0.449	22%	0.22	S	C	.	.	S	Bend	trans	-73.4	-47.5	-173.1	-168.3	-147.1	124.7	0	0	111.5	D510	E442-D510 HydrophobicContact CB-CB 4.26Å; E442-D510 PolarHBondContact N-OD2 2.67Å
443	R	91.8	Very high	94.1	Very high	136 Å²	136	44.7 Å²	44.7	51%	0.513	22%	0.216	S	C	.	.	S	Bend	trans	-97.7	145.7	-171.1	-45.3	177	176.9	165.2	0.7	111.6	Q445 D446 V447	R443-Q445 PolarHBondContact O-N 3.39Å; R443-D446 VanDerWaalsContact CB-OD2 3.25Å; R443-D446 WeakPolarHBondContact CB-OD2 3.25Å; R443-D446 WeakPolarHBondContact CD-OD2 3.07Å; R443-D446 WeakPolarHBondContact CG-OD2 3.34Å; R443-D446 PolarHBondContact O-N 3.45Å; R443-V447 PolarHBondContact O-N 2.73Å; R443-V447 VanDerWaalsContact O-N 3.13Å
444	K	91.8	Very high	94.3	Very high	130 Å²	130	44 Å²	44	57%	0.565	21%	0.212	S	C	*	.	H	α-helix	trans	-55.6	-37.2	174	62.2	177.1	-175.6	173.6	0	113.3	V447 D448 H465	K444-V447 PolarHBondContact O-N 3.4Å; K444-D448 PolarHBondContact O-N 3.31Å; K444-H465 HydrophobicContact CB-CB 4.32Å
445	Q	93.3	Very high	94.4	Very high	138 Å²	138	45 Å²	45	65%	0.645	21%	0.214	S	C	*	.	H	α-helix	trans	-66.6	-39.5	-179.7	-72.5	171.7	-28.5	0	0	111.6	R443 D448 A449	R443-Q445 PolarHBondContact O-N 3.39Å; Q445-D448 PolarHBondContact O-N 3.26Å; Q445-A449 VanDerWaalsContact O-CB 3.31Å; Q445-A449 WeakPolarHBondContact O-CB 3.45Å; Q445-A449 PolarHBondContact O-N 2.98Å
446	D	94	Very high	94.6	Very high	26 Å²	26	50.8 Å²	50.8	14%	0.139	24%	0.243	C	C	.	.	H	α-helix	trans	-69.4	-39.1	177.5	-57.2	-42.8	0	0	0	110.6	A441 R443 D448 A449 I450 Y509	A441-D446 HydrophobicContact CB-CB 4.06Å; R443-D446 VanDerWaalsContact CB-OD2 3.25Å; R443-D446 WeakPolarHBondContact CB-OD2 3.25Å; R443-D446 WeakPolarHBondContact CD-OD2 3.07Å; R443-D446 WeakPolarHBondContact CG-OD2 3.34Å; R443-D446 PolarHBondContact O-N 3.45Å; D446-D448 PolarHBondContact O-N 2.78Å; D446-A449 PolarHBondContact O-N 3.27Å; D446-I450 VanDerWaalsContact O-CB 3.31Å; D446-I450 WeakPolarHBondContact O-CB 3.42Å; D446-I450 VanDerWaalsContact O-CD1 3.3Å; D446-I450 WeakPolarHBondContact O-CD1 3.48Å; D446-I450 WeakPolarHBondContact O-CG1 3.49Å; D446-I450 PolarHBondContact O-N 2.89Å; D446-Y509 HydrophobicContact CB-CE1 4.3Å
447	V	95.4	Very high	94.6	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-58.5	-47.1	172.5	170.3	0	0	0	0	112.2	A441 R443 K444 H451 H465 V489 T491	A441-V447 HydrophobicContact CB-CG2 3.94Å; R443-V447 PolarHBondContact O-N 2.73Å; R443-V447 VanDerWaalsContact O-N 3.13Å; K444-V447 PolarHBondContact O-N 3.4Å; V447-H451 VanDerWaalsContact O-CB 3.29Å; V447-H451 WeakPolarHBondContact O-CB 3.28Å; V447-H451 PolarHBondContact O-N 3.29Å; V447-H465 HydrophobicContact CG1-CB 4.45Å; V447-V489 HydrophobicContact CB-CG1 4.23Å; V447-V489 HydrophobicContact CG1-CB 4.23Å; V447-V489 HydrophobicContact CG1-CG1 3.95Å; V447-V489 HydrophobicContact CG2-CG1 4.22Å; V447-T491 HydrophobicContact CG2-CG2 3.7Å
448	D	95.1	Very high	94.5	Very high	58 Å²	58	58.2 Å²	58.2	31%	0.31	29%	0.288	S	S	.	.	H	α-helix	trans	-66.3	-43.3	177.8	-75.9	-46.6	0	0	0	111.7	K444 Q445 D446 H451 E452 H465 K468	K444-D448 PolarHBondContact O-N 3.31Å; Q445-D448 PolarHBondContact O-N 3.26Å; D446-D448 PolarHBondContact O-N 2.78Å; D448-H451 PolarHBondContact O-N 3.42Å; D448-E452 PolarHBondContact O-N 2.75Å; D448-H465 IonicContact OD1-CD2 3.28Å; D448-H465 IonicContact OD1-NE2 3.81Å; D448-H465 PolarHBondContact OD1-NE2 3.14Å; D448-H465 IonicContact OD2-CE1 3.38Å; D448-H465 PolarHBondContact OD2-CE1 3.41Å; D448-H465 IonicContact OD2-NE2 2.67Å; D448-H465 PolarHBondContact OD2-NE2 2.92Å; D448-K468 IonicContact OD1-NZ 2.74Å; D448-K468 PolarHBondContact OD1-NZ 3.04Å
449	A	95.1	Very high	94.4	Very high	38 Å²	38	58.8 Å²	58.8	31%	0.314	29%	0.291	S	S	.	.	H	α-helix	trans	-65.7	-40.6	179.4	0	0	0	0	0	113	Q445 D446 Y453	Q445-A449 VanDerWaalsContact O-CB 3.31Å; Q445-A449 WeakPolarHBondContact O-CB 3.45Å; Q445-A449 PolarHBondContact O-N 2.98Å; D446-A449 PolarHBondContact O-N 3.27Å; A449-Y453 WeakPolarHBondContact O-CB 3.46Å; A449-Y453 PolarHBondContact O-N 3.3Å
450	I	96.2	Very high	94.4	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-63.2	-44.1	172.5	-68.8	162	0	0	0	109.9	L426 I439 A441 D446 Y453 L454 V489 Y509	L426-I450 HydrophobicContact CD2-CG1 4.4Å; L426-I450 HydrophobicContact CD2-CG2 3.46Å; L426-I450 VanDerWaalsContact CD2-CG2 3.46Å; I439-I450 HydrophobicContact CD1-CG2 4.3Å; I439-I450 HydrophobicContact CG2-CD1 4.49Å; A441-I450 HydrophobicContact CB-CD1 3.9Å; D446-I450 VanDerWaalsContact O-CB 3.31Å; D446-I450 WeakPolarHBondContact O-CB 3.42Å; D446-I450 VanDerWaalsContact O-CD1 3.3Å; D446-I450 WeakPolarHBondContact O-CD1 3.48Å; D446-I450 WeakPolarHBondContact O-CG1 3.49Å; D446-I450 PolarHBondContact O-N 2.89Å; I450-Y453 PolarHBondContact O-N 3.27Å; I450-L454 HydrophobicContact CG2-CD1 3.81Å; I450-L454 HydrophobicContact CG2-CG 4.22Å; I450-L454 WeakPolarHBondContact O-CB 3.47Å; I450-L454 VanDerWaalsContact O-CG 3.25Å; I450-L454 WeakPolarHBondContact O-CG 3.25Å; I450-L454 PolarHBondContact O-N 3.34Å; I450-V489 HydrophobicContact CB-CG1 4.06Å; I450-V489 HydrophobicContact CD1-CG1 4.36Å; I450-V489 HydrophobicContact CG2-CG1 3.83Å; I450-V489 HydrophobicContact CG2-CG2 3.88Å; I450-Y509 HydrophobicContact CD1-CD1 3.82Å; I450-Y509 HydrophobicContact CD1-CD2 3.53Å; I450-Y509 HydrophobicContact CD1-CE1 4.06Å; I450-Y509 HydrophobicContact CD1-CE2 3.75Å; I450-Y509 HydrophobicContact CD1-CG 3.56Å; I450-Y509 HydrophobicContact CG1-CD2 4.17Å; I450-Y509 HydrophobicContact CG1-CE2 3.99Å
451	H	96.2	Very high	94.3	Very high	35 Å²	35	61.5 Å²	61.5	16%	0.162	30%	0.304	C	S	.	.	H	α-helix	trans	-61.9	-48.3	-179.6	-176.6	-147.1	0	0	0	112.2	V447 D448 Y453 L454 L455 A461 S463	V447-H451 VanDerWaalsContact O-CB 3.29Å; V447-H451 WeakPolarHBondContact O-CB 3.28Å; V447-H451 PolarHBondContact O-N 3.29Å; D448-H451 PolarHBondContact O-N 3.42Å; H451-Y453 PolarHBondContact O-N 3.03Å; H451-L454 PolarHBondContact O-N 3.07Å; H451-L455 WeakPolarHBondContact O-CG 3.47Å; H451-L455 PolarHBondContact O-N 2.77Å; H451-L455 VanDerWaalsContact O-N 3.1Å; H451-A461 PolarHBondContact CD2-O 3.34Å; H451-A461 PolarHBondContact NE2-O 2.86Å; H451-S463 PolarHBondContact CE1-OG 3.27Å; H451-S463 WeakPolarHBondContact ND1-CB 3.47Å; H451-S463 PolarHBondContact ND1-OG 3.03Å
452	E	95.8	Very high	94.3	Very high	129 Å²	129	62.1 Å²	62.1	60%	0.603	31%	0.308	S	S	*	.	H	α-helix	trans	-58.6	-46.6	175.1	-176.9	176.3	-165.2	0	0	111.5	D448 L454 L455 L456	D448-E452 PolarHBondContact O-N 2.75Å; E452-L454 PolarHBondContact O-N 2.95Å; E452-L455 PolarHBondContact O-N 3.05Å; E452-L456 HydrophobicContact CG-CD1 4.18Å; E452-L456 WeakPolarHBondContact O-CG 3.13Å; E452-L456 PolarHBondContact O-N 3.5Å
453	Y	95.8	Very high	94.5	Very high	54 Å²	54	58 Å²	58	21%	0.212	29%	0.29	C	S	.	.	H	α-helix	trans	-61.6	-42.7	179.2	-177.5	-98.5	0	0	0	113	I423 L427 A449 I450 H451 L456 K457	I423-Y453 HydrophobicContact CG2-CD1 3.35Å; I423-Y453 HydrophobicContact CG2-CD2 3.58Å; I423-Y453 HydrophobicContact CG2-CE1 3.58Å; I423-Y453 HydrophobicContact CG2-CE2 3.8Å; I423-Y453 HydrophobicContact CG2-CG 3.33Å; I423-Y453 WeakPolarHBondContact O-CE1 3.38Å; L427-Y453 HydrophobicContact CD1-CE1 3.75Å; L427-Y453 WeakPolarHBondContact CD1-OH 3.28Å; L427-Y453 HydrophobicContact CD2-CE1 4.19Å; L427-Y453 HydrophobicContact CG-CE1 3.85Å; A449-Y453 WeakPolarHBondContact O-CB 3.46Å; A449-Y453 PolarHBondContact O-N 3.3Å; I450-Y453 PolarHBondContact O-N 3.27Å; H451-Y453 PolarHBondContact O-N 3.03Å; Y453-L456 PolarHBondContact O-N 3.19Å; Y453-K457 HydrophobicContact CD1-CG 4.3Å; Y453-K457 HydrophobicContact CE1-CG 4Å; Y453-K457 VanDerWaalsContact CZ-CE 3.44Å; Y453-K457 VanDerWaalsContact O-CG 3.28Å; Y453-K457 WeakPolarHBondContact O-CG 3.46Å; Y453-K457 PolarHBondContact O-N 3.28Å; Y453-K457 VanDerWaalsContact O-N 3.07Å; Y453-K457 VanDerWaalsContact OH-CE 3.29Å; Y453-K457 WeakPolarHBondContact OH-CE 3.45Å
454	L	95.8	Very high	94.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.2	-42.9	177.3	-71.8	176.1	0	0	0	111.7	L426 L427 L430 I439 I450 H451 E452 K457 G458 V459 A461 V487 V489	L426-L454 HydrophobicContact CD2-CD2 4.32Å; L427-L454 HydrophobicContact CD2-CD2 4.09Å; L430-L454 HydrophobicContact CD1-CD2 3.45Å; L430-L454 VanDerWaalsContact CD1-CD2 3.45Å; I439-L454 HydrophobicContact CD1-CD1 3.81Å; I450-L454 HydrophobicContact CG2-CD1 3.81Å; I450-L454 HydrophobicContact CG2-CG 4.22Å; I450-L454 WeakPolarHBondContact O-CB 3.47Å; I450-L454 VanDerWaalsContact O-CG 3.25Å; I450-L454 WeakPolarHBondContact O-CG 3.25Å; I450-L454 PolarHBondContact O-N 3.34Å; H451-L454 PolarHBondContact O-N 3.07Å; E452-L454 PolarHBondContact O-N 2.95Å; L454-K457 CarbonylContact O-C 3.52Å; L454-K457 PolarHBondContact O-N 3.35Å; L454-K457 VanDerWaalsContact O-N 3.13Å; L454-G458 PolarHBondContact O-N 3.21Å; L454-V459 HydrophobicContact CB-CB 4.12Å; L454-V459 HydrophobicContact CB-CG1 4.44Å; L454-V459 HydrophobicContact CD2-CB 4.27Å; L454-V459 HydrophobicContact CD2-CG1 4.31Å; L454-V459 HydrophobicContact CD2-CG2 4.32Å; L454-V459 WeakPolarHBondContact O-CB 3.34Å; L454-V459 PolarHBondContact O-N 3.02Å; L454-A461 HydrophobicContact CB-CB 3.89Å; L454-A461 HydrophobicContact CD1-CB 3.95Å; L454-V487 HydrophobicContact CD1-CG1 3.94Å; L454-V489 HydrophobicContact CD1-CG2 3.94Å
455	L	95	Very high	94.4	Very high	83 Å²	83	45.7 Å²	45.7	44%	0.435	24%	0.24	S	C	.	.	H	α-helix	trans	-62.8	-42.4	175.3	-68.1	175.6	0	0	0	111.9	H451 E452 K457 G458	H451-L455 WeakPolarHBondContact O-CG 3.47Å; H451-L455 PolarHBondContact O-N 2.77Å; H451-L455 VanDerWaalsContact O-N 3.1Å; E452-L455 PolarHBondContact O-N 3.05Å; L455-K457 PolarHBondContact O-N 3Å; L455-G458 PolarHBondContact O-N 3.12Å
456	L	95.1	Very high	93.9	Very high	136 Å²	136	42.6 Å²	42.6	71%	0.712	25%	0.245	S	C	*	.	H	α-helix	trans	-61.7	-27	174.4	-72	172	0	0	0	113.1	E452 Y453 G458	E452-L456 HydrophobicContact CG-CD1 4.18Å; E452-L456 WeakPolarHBondContact O-CG 3.13Å; E452-L456 PolarHBondContact O-N 3.5Å; Y453-L456 PolarHBondContact O-N 3.19Å; L456-G458 VanDerWaalsContact C-N 3.34Å
457	K	93.1	Very high	93.4	Very high	117 Å²	117	43.9 Å²	43.9	51%	0.509	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	0.3	174.4	-64	-68.8	-177.9	-177.1	0	113.6	L427 Y453 L454 L455 V459	L427-K457 HydrophobicContact CD1-CD 3.96Å; L427-K457 HydrophobicContact CD1-CG 3.96Å; L427-K457 HydrophobicContact CD2-CB 4.23Å; L427-K457 HydrophobicContact CD2-CG 4.2Å; Y453-K457 HydrophobicContact CD1-CG 4.3Å; Y453-K457 HydrophobicContact CE1-CG 4Å; Y453-K457 VanDerWaalsContact CZ-CE 3.44Å; Y453-K457 VanDerWaalsContact O-CG 3.28Å; Y453-K457 WeakPolarHBondContact O-CG 3.46Å; Y453-K457 PolarHBondContact O-N 3.28Å; Y453-K457 VanDerWaalsContact O-N 3.07Å; Y453-K457 VanDerWaalsContact OH-CE 3.29Å; Y453-K457 WeakPolarHBondContact OH-CE 3.45Å; L454-K457 CarbonylContact O-C 3.52Å; L454-K457 PolarHBondContact O-N 3.35Å; L454-K457 VanDerWaalsContact O-N 3.13Å; L455-K457 PolarHBondContact O-N 3Å; K457-V459 VanDerWaalsContact C-N 3.35Å
458	G	92.6	Very high	93	Very high	46 Å²	46	46.3 Å²	46.3	47%	0.474	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	20.6	179.9	0	0	0	0	0	114.3	L454 L455 L456	L454-G458 PolarHBondContact O-N 3.21Å; L455-G458 PolarHBondContact O-N 3.12Å; L456-G458 VanDerWaalsContact C-N 3.34Å
459	V	93.8	Very high	92.5	Very high	11 Å²	11	49.1 Å²	49.1	7%	0.067	29%	0.291	C	S	.	.			trans	-86.8	126.6	172.3	177.8	0	0	0	0	108.8	L454 K457 A461 V487	L454-V459 HydrophobicContact CB-CB 4.12Å; L454-V459 HydrophobicContact CB-CG1 4.44Å; L454-V459 HydrophobicContact CD2-CB 4.27Å; L454-V459 HydrophobicContact CD2-CG1 4.31Å; L454-V459 HydrophobicContact CD2-CG2 4.32Å; L454-V459 WeakPolarHBondContact O-CB 3.34Å; L454-V459 PolarHBondContact O-N 3.02Å; K457-V459 VanDerWaalsContact C-N 3.35Å; V459-A461 PolarHBondContact O-N 3.16Å; V459-V487 HydrophobicContact CG1-CB 4.28Å; V459-V487 HydrophobicContact CG1-CG2 3.56Å
460	E	94.1	Very high	91.7	Very high	57 Å²	57	53.1 Å²	53.1	27%	0.266	30%	0.303	S	S	.	.			trans	-73.4	92.5	178.7	-69.6	-65.8	166.4	0	0	110.4	R485 D486 V487	E460-R485 CarbonylContact O-C 3.57Å; E460-R485 IonicContact OE2-CZ 2.74Å; E460-R485 IonicContact OE2-NH1 3.8Å; E460-R485 PolarHBondContact OE2-NH1 2.94Å; E460-D486 PolarHBondContact O-N 3.19Å; E460-V487 PolarHBondContact O-N 2.95Å; E460-V487 VanDerWaalsContact O-N 3.16Å
461	A	95.2	Very high	91	Very high	2 Å²	2	59.7 Å²	59.7	2%	0.017	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	150	-173.1	0	0	0	0	0	113.2	H451 L454 V459 V487	H451-A461 PolarHBondContact CD2-O 3.34Å; H451-A461 PolarHBondContact NE2-O 2.86Å; L454-A461 HydrophobicContact CB-CB 3.89Å; L454-A461 HydrophobicContact CD1-CB 3.95Å; V459-A461 PolarHBondContact O-N 3.16Å; A461-V487 VanDerWaalsContact CA-O 3.28Å; A461-V487 WeakPolarHBondContact CA-O 3.4Å; A461-V487 HydrophobicContact CB-CB 4.13Å
462	V	94.8	Very high	90.6	Very high	13 Å²	13	62.9 Å²	62.9	8%	0.079	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	156	169.7	-79.5	0	0	0	0	111.1	A476 F480 R485 V487 L488 V489	V462-A476 HydrophobicContact CB-CB 3.98Å; V462-A476 HydrophobicContact CG1-CB 4.27Å; V462-A476 HydrophobicContact CG2-CB 4.36Å; V462-F480 HydrophobicContact CG2-CB 4.14Å; V462-R485 HydrophobicContact CG1-CB 4.47Å; V462-R485 HydrophobicContact CG1-CG 3.72Å; V462-R485 HydrophobicContact CG2-CB 4.1Å; V462-R485 HydrophobicContact CG2-CG 4.2Å; V462-V487 PolarHBondContact N-O 3.24Å; V462-L488 HydrophobicContact CG2-CB 4.34Å; V462-L488 HydrophobicContact CG2-CD1 3.98Å; V462-L488 WeakPolarHBondContact O-CA 3.39Å; V462-V489 PolarHBondContact O-N 2.68Å
463	S	94.7	Very high	90	Very high	10 Å²	10	59 Å²	59	7%	0.07	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	140.3	-178.4	53.7	0	0	0	0	113	H451 K468 V489	H451-S463 PolarHBondContact CE1-OG 3.27Å; H451-S463 WeakPolarHBondContact ND1-CB 3.47Å; H451-S463 PolarHBondContact ND1-OG 3.03Å; S463-K468 WeakPolarHBondContact OG-CE 3.46Å; S463-V489 CarbonylContact C-O 3.52Å; S463-V489 VanDerWaalsContact CA-O 3.28Å; S463-V489 WeakPolarHBondContact CA-O 3.47Å
464	I	91.3	Very high	89.5	Confident	0 Å²	0	60 Å²	60	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	112.3	177.2	-52.6	174.6	0	0	0	110.3	R473 A476 V477 L488 V489 A490 T491 A494 L498	I464-R473 HydrophobicContact CG2-CB 4.44Å; I464-R473 HydrophobicContact CG2-CG 4.01Å; I464-A476 HydrophobicContact CD1-CB 4.15Å; I464-A476 HydrophobicContact CG1-CB 3.89Å; I464-V477 HydrophobicContact CD1-CG2 3.42Å; I464-V477 VanDerWaalsContact CD1-CG2 3.42Å; I464-L488 HydrophobicContact CB-CD1 4.32Å; I464-L488 HydrophobicContact CD1-CD1 3.56Å; I464-L488 HydrophobicContact CD1-CD2 4.14Å; I464-L488 HydrophobicContact CG1-CD1 3.61Å; I464-V489 PolarHBondContact N-O 3.37Å; I464-A490 HydrophobicContact CB-CB 4.46Å; I464-A490 VanDerWaalsContact O-CA 3.26Å; I464-A490 WeakPolarHBondContact O-CA 3.34Å; I464-T491 PolarHBondContact O-N 3.28Å; I464-A494 HydrophobicContact CG2-CB 3.87Å; I464-A494 VanDerWaalsContact O-CB 3.3Å; I464-A494 WeakPolarHBondContact O-CB 3.36Å; I464-L498 HydrophobicContact CD1-CD1 4.18Å
465	H	90.7	Very high	89.1	Confident	6 Å²	6	62.7 Å²	62.7	3%	0.028	36%	0.363	C	S	.	.			trans	-138.7	177.7	172.2	59	100.3	0	0	0	110.4	K444 V447 D448 G467 K468 R473 T491	K444-H465 HydrophobicContact CB-CB 4.32Å; V447-H465 HydrophobicContact CG1-CB 4.45Å; D448-H465 IonicContact OD1-CD2 3.28Å; D448-H465 IonicContact OD1-NE2 3.81Å; D448-H465 PolarHBondContact OD1-NE2 3.14Å; D448-H465 IonicContact OD2-CE1 3.38Å; D448-H465 PolarHBondContact OD2-CE1 3.41Å; D448-H465 IonicContact OD2-NE2 2.67Å; D448-H465 PolarHBondContact OD2-NE2 2.92Å; H465-G467 PolarHBondContact ND1-N 2.87Å; H465-G467 PolarHBondContact O-N 3.12Å; H465-G467 VanDerWaalsContact O-N 3.1Å; H465-K468 WeakPolarHBondContact NE2-CD 3.31Å; H465-K468 WeakPolarHBondContact NE2-CE 3.47Å; H465-K468 PolarHBondContact NE2-NZ 3.46Å; H465-K468 PolarHBondContact O-N 3.21Å; H465-R473 PolarHBondContact O-NH1 3.44Å; H465-R473 VanDerWaalsContact O-NH1 3.09Å; H465-T491 HydrophobicContact CB-CG2 3.83Å
466	G	82.4	Confident	88.9	Confident	73 Å²	73	59.1 Å²	59.1	75%	0.753	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	4.4	179.6	0	0	0	0	0	115.6
467	G	83.8	Confident	88.5	Confident	54 Å²	54	53.3 Å²	53.3	56%	0.557	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	2.8	177.5	0	0	0	0	0	114.7	H465	H465-G467 PolarHBondContact ND1-N 2.87Å; H465-G467 PolarHBondContact O-N 3.12Å; H465-G467 VanDerWaalsContact O-N 3.1Å
468	K	85.7	Confident	88.3	Confident	50 Å²	50	51.7 Å²	51.7	22%	0.217	32%	0.316	C	S	.	.	S	Bend	trans	-87	147.9	168.3	-63	-57	-171.4	-148.1	0	109.9	D448 S463 H465 E472 R473	D448-K468 IonicContact OD1-NZ 2.74Å; D448-K468 PolarHBondContact OD1-NZ 3.04Å; S463-K468 WeakPolarHBondContact OG-CE 3.46Å; H465-K468 WeakPolarHBondContact NE2-CD 3.31Å; H465-K468 WeakPolarHBondContact NE2-CE 3.47Å; H465-K468 PolarHBondContact NE2-NZ 3.46Å; H465-K468 PolarHBondContact O-N 3.21Å; K468-E472 WeakPolarHBondContact CA-OE2 3.49Å; K468-E472 HydrophobicContact CB-CB 4.38Å; K468-E472 WeakPolarHBondContact CB-OE2 3.29Å; K468-R473 HydrophobicContact CB-CG 3.88Å
469	D	84.7	Confident	88.2	Confident	118 Å²	118	52.1 Å²	52.1	63%	0.631	31%	0.305	S	S	*	.			trans	-68.7	156.3	176.5	-79.6	-32.9	0	0	0	111.7	D471 E472 R473	D469-D471 VanDerWaalsContact C-N 3.27Å; D469-D471 PolarHBondContact O-N 3.23Å; D469-E472 HydrophobicContact CB-CG 4.13Å; D469-E472 PolarHBondContact N-OE2 3.07Å; D469-E472 WeakPolarHBondContact O-CB 3.36Å; D469-E472 PolarHBondContact O-N 3.32Å; D469-R473 VanDerWaalsContact O-CG 3.29Å; D469-R473 WeakPolarHBondContact O-CG 3.36Å; D469-R473 PolarHBondContact O-N 2.9Å
470	Q	78.3	Confident	88.1	Confident	121 Å²	121	51.6 Å²	51.6	57%	0.565	30%	0.302	S	S	*	.	H	α-helix	trans	-61.6	-36	-174.9	-178.1	59.1	34.5	0	0	112.4	R473 V474	Q470-R473 PolarHBondContact O-N 3.46Å; Q470-V474 WeakPolarHBondContact O-CG2 3.33Å; Q470-V474 PolarHBondContact O-N 3.36Å
471	D	82.3	Confident	87.7	Confident	138 Å²	138	53.7 Å²	53.7	74%	0.738	31%	0.307	S	S	*	.	H	α-helix	trans	-71.3	-39	177.9	-64.4	-27.1	0	0	0	111.7	D469 R473 V474 S475	D469-D471 VanDerWaalsContact C-N 3.27Å; D469-D471 PolarHBondContact O-N 3.23Å; D471-R473 VanDerWaalsContact C-N 3.34Å; D471-R473 PolarHBondContact O-N 3.07Å; D471-V474 PolarHBondContact O-N 3.48Å; D471-S475 WeakPolarHBondContact O-CB 3.3Å; D471-S475 PolarHBondContact O-N 3.36Å
472	E	87.1	Confident	87.3	Confident	102 Å²	102	55.9 Å²	55.9	48%	0.477	33%	0.326	S	S	.	.	H	α-helix	trans	-60.4	-44.5	171.7	-62.3	-176.8	133.4	0	0	111.2	K468 D469 V474 S475 A476	K468-E472 WeakPolarHBondContact CA-OE2 3.49Å; K468-E472 HydrophobicContact CB-CB 4.38Å; K468-E472 WeakPolarHBondContact CB-OE2 3.29Å; D469-E472 HydrophobicContact CB-CG 4.13Å; D469-E472 PolarHBondContact N-OE2 3.07Å; D469-E472 WeakPolarHBondContact O-CB 3.36Å; D469-E472 PolarHBondContact O-N 3.32Å; E472-V474 PolarHBondContact O-N 3.4Å; E472-S475 PolarHBondContact O-N 2.84Å; E472-A476 VanDerWaalsContact O-CB 3.31Å; E472-A476 WeakPolarHBondContact O-CB 3.39Å; E472-A476 PolarHBondContact O-N 3.28Å
473	R	84.4	Confident	87	Confident	48 Å²	48	60 Å²	60	18%	0.181	34%	0.344	C	S	.	.	H	α-helix	trans	-60.8	-44.3	177	-67.8	171.8	57.7	93.5	12.9	111.5	I464 H465 K468 D469 Q470 D471 V477 A494	I464-R473 HydrophobicContact CG2-CB 4.44Å; I464-R473 HydrophobicContact CG2-CG 4.01Å; H465-R473 PolarHBondContact O-NH1 3.44Å; H465-R473 VanDerWaalsContact O-NH1 3.09Å; K468-R473 HydrophobicContact CB-CG 3.88Å; D469-R473 VanDerWaalsContact O-CG 3.29Å; D469-R473 WeakPolarHBondContact O-CG 3.36Å; D469-R473 PolarHBondContact O-N 2.9Å; Q470-R473 PolarHBondContact O-N 3.46Å; D471-R473 VanDerWaalsContact C-N 3.34Å; D471-R473 PolarHBondContact O-N 3.07Å; R473-V477 VanDerWaalsContact O-CG2 3.28Å; R473-V477 WeakPolarHBondContact O-CG2 3.18Å; R473-V477 PolarHBondContact O-N 2.91Å; R473-A494 VanDerWaalsContact NH1-CB 3.33Å; R473-A494 PolarHBondContact NH2-O 2.89Å; R473-A494 VanDerWaalsContact NH2-O 3.14Å
474	V	84.1	Confident	86.9	Confident	75 Å²	75	65.6 Å²	65.6	46%	0.455	37%	0.369	S	S	.	.	H	α-helix	trans	-66.2	-41.9	177.7	170.6	0	0	0	0	110.9	Q470 D471 E472 T478	Q470-V474 WeakPolarHBondContact O-CG2 3.33Å; Q470-V474 PolarHBondContact O-N 3.36Å; D471-V474 PolarHBondContact O-N 3.48Å; E472-V474 PolarHBondContact O-N 3.4Å; V474-T478 WeakPolarHBondContact O-CB 3.48Å; V474-T478 PolarHBondContact O-N 3.49Å; V474-T478 PolarHBondContact O-OG1 3Å
475	S	89.2	Confident	86.9	Confident	57 Å²	57	68.8 Å²	68.8	40%	0.399	38%	0.381	S	S	.	.	H	α-helix	trans	-60.5	-52.9	175.6	-175.1	0	0	0	0	111.4	D471 E472 V477 T478 E479	D471-S475 WeakPolarHBondContact O-CB 3.3Å; D471-S475 PolarHBondContact O-N 3.36Å; E472-S475 PolarHBondContact O-N 2.84Å; S475-V477 PolarHBondContact O-N 2.75Å; S475-T478 WeakPolarHBondContact O-CA 3.33Å; S475-T478 WeakPolarHBondContact O-CB 3.29Å; S475-T478 PolarHBondContact O-N 2.7Å; S475-E479 PolarHBondContact O-N 3.15Å
476	A	89.9	Confident	87.1	Confident	7 Å²	7	68.8 Å²	68.8	6%	0.058	38%	0.381	C	S	.	.	H	α-helix	trans	-56.9	-44.7	178.7	0	0	0	0	0	112.8	V462 I464 E472 T478 F480	V462-A476 HydrophobicContact CB-CB 3.98Å; V462-A476 HydrophobicContact CG1-CB 4.27Å; V462-A476 HydrophobicContact CG2-CB 4.36Å; I464-A476 HydrophobicContact CD1-CB 4.15Å; I464-A476 HydrophobicContact CG1-CB 3.89Å; E472-A476 VanDerWaalsContact O-CB 3.31Å; E472-A476 WeakPolarHBondContact O-CB 3.39Å; E472-A476 PolarHBondContact O-N 3.28Å; A476-T478 VanDerWaalsContact C-N 3.33Å; A476-T478 PolarHBondContact O-N 2.93Å; A476-F480 WeakPolarHBondContact O-CB 3.28Å; A476-F480 PolarHBondContact O-N 2.94Å
477	V	87.2	Confident	87.7	Confident	15 Å²	15	65.3 Å²	65.3	9%	0.091	35%	0.345	C	S	.	.	H	α-helix	trans	-63.2	-40.6	174.6	172.4	0	0	0	0	111.2	I464 R473 S475 R481 L498 F500	I464-V477 HydrophobicContact CD1-CG2 3.42Å; I464-V477 VanDerWaalsContact CD1-CG2 3.42Å; R473-V477 VanDerWaalsContact O-CG2 3.28Å; R473-V477 WeakPolarHBondContact O-CG2 3.18Å; R473-V477 PolarHBondContact O-N 2.91Å; S475-V477 PolarHBondContact O-N 2.75Å; V477-R481 HydrophobicContact CG1-CG 4.22Å; V477-R481 VanDerWaalsContact O-CB 3.23Å; V477-R481 WeakPolarHBondContact O-CB 3.45Å; V477-R481 WeakPolarHBondContact O-CG 3.14Å; V477-R481 PolarHBondContact O-N 3.2Å; V477-L498 HydrophobicContact CG2-CD1 3.75Å; V477-L498 HydrophobicContact CG2-CD2 4.27Å; V477-F500 HydrophobicContact CG2-CE1 4.47Å
478	T	87.5	Confident	88.3	Confident	83 Å²	83	62.7 Å²	62.7	51%	0.509	32%	0.319	S	S	.	.	H	α-helix	trans	-68	-46.2	-179.4	-60.5	0	0	0	0	112	V474 S475 A476 R481 A482	V474-T478 WeakPolarHBondContact O-CB 3.48Å; V474-T478 PolarHBondContact O-N 3.49Å; V474-T478 PolarHBondContact O-OG1 3Å; S475-T478 WeakPolarHBondContact O-CA 3.33Å; S475-T478 WeakPolarHBondContact O-CB 3.29Å; S475-T478 PolarHBondContact O-N 2.7Å; A476-T478 VanDerWaalsContact C-N 3.33Å; A476-T478 PolarHBondContact O-N 2.93Å; T478-R481 PolarHBondContact O-N 3.1Å; T478-A482 WeakPolarHBondContact O-CB 3.31Å; T478-A482 PolarHBondContact O-N 2.75Å
479	E	90.9	Very high	88.7	Confident	55 Å²	55	60.3 Å²	60.3	26%	0.257	31%	0.308	S	S	.	.	H	α-helix	trans	-64.1	-41.6	178.1	-70.6	-172.3	177.3	0	0	112.2	S475 A482 H483 H484 R485	S475-E479 PolarHBondContact O-N 3.15Å; E479-A482 PolarHBondContact O-N 3.48Å; E479-H483 PolarHBondContact O-N 3.32Å; E479-H484 HydrophobicContact CB-CB 4.36Å; E479-H484 WeakPolarHBondContact O-CB 3.33Å; E479-H484 PolarHBondContact O-N 3.43Å; E479-R485 HydrophobicContact CB-CG 3.92Å; E479-R485 IonicContact OE1-NH2 2.71Å; E479-R485 IonicContact OE2-CZ 2.66Å; E479-R485 IonicContact OE2-NE 3.84Å; E479-R485 PolarHBondContact OE2-NE 3.4Å; E479-R485 IonicContact OE2-NH2 2.91Å; E479-R485 PolarHBondContact OE2-NH2 3.21Å
480	F	91.2	Very high	89.2	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-67.6	-42.4	175.8	-174.6	-107.9	0	0	0	112	P436 V437 I438 V462 A476 A482 H483 R485 L488 F500	P436-F480 HydrophobicContact CB-CE1 4.49Å; P436-F480 HydrophobicContact CB-CE2 3.9Å; P436-F480 HydrophobicContact CB-CZ 3.7Å; V437-F480 WeakPolarHBondContact O-CZ 3.28Å; I438-F480 HydrophobicContact CD1-CE1 3.9Å; I438-F480 HydrophobicContact CD1-CZ 4.25Å; I438-F480 HydrophobicContact CG1-CE1 3.9Å; I438-F480 HydrophobicContact CG1-CZ 3.7Å; V462-F480 HydrophobicContact CG2-CB 4.14Å; A476-F480 WeakPolarHBondContact O-CB 3.28Å; A476-F480 PolarHBondContact O-N 2.94Å; F480-A482 VanDerWaalsContact C-N 3.26Å; F480-A482 PolarHBondContact O-N 3.02Å; F480-H483 PolarHBondContact O-N 3.28Å; F480-R485 HydrophobicContact CD2-CB 4.42Å; F480-R485 WeakPolarHBondContact CD2-O 3.46Å; F480-L488 HydrophobicContact CD1-CB 3.99Å; F480-L488 HydrophobicContact CD1-CD2 3.86Å; F480-L488 HydrophobicContact CD2-CB 3.67Å; F480-L488 HydrophobicContact CE1-CB 3.94Å; F480-L488 HydrophobicContact CE1-CD2 4.05Å; F480-L488 HydrophobicContact CE2-CB 3.62Å; F480-L488 HydrophobicContact CG-CB 3.85Å; F480-L488 HydrophobicContact CG-CD2 4.32Å; F480-L488 HydrophobicContact CZ-CB 3.74Å; F480-F500 AromaticContact CD1-CD1 3.66Å; F480-F500 HydrophobicContact CD1-CD1 3.66Å; F480-F500 HydrophobicContact CD1-CE1 4.16Å; F480-F500 HydrophobicContact CD1-CG 4.35Å; F480-F500 HydrophobicContact CE1-CB 4.15Å; F480-F500 AromaticContact CE1-CD1 3.85Å; F480-F500 HydrophobicContact CE1-CD1 3.85Å; F480-F500 HydrophobicContact CE1-CE1 4.49Å; F480-F500 HydrophobicContact CE1-CG 4.09Å
481	R	87	Confident	89.8	Confident	100 Å²	100	49.6 Å²	49.6	38%	0.377	26%	0.255	S	S	.	.	H	α-helix	trans	-62.7	-30.4	174.1	-76.7	175.9	170.1	-168.8	-8.7	113.3	V477 T478 H483 D499	V477-R481 HydrophobicContact CG1-CG 4.22Å; V477-R481 VanDerWaalsContact O-CB 3.23Å; V477-R481 WeakPolarHBondContact O-CB 3.45Å; V477-R481 WeakPolarHBondContact O-CG 3.14Å; V477-R481 PolarHBondContact O-N 3.2Å; T478-R481 PolarHBondContact O-N 3.1Å; R481-H483 PolarHBondContact O-N 3.35Å; R481-D499 VanDerWaalsContact CZ-O 3.31Å; R481-D499 PolarHBondContact NE-O 3.09Å; R481-D499 PolarHBondContact NH2-O 3.14Å
482	A	87.4	Confident	89.8	Confident	49 Å²	49	44 Å²	44	41%	0.405	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	4.5	175.6	0	0	0	0	0	113.6	T478 E479 F480 H484	T478-A482 WeakPolarHBondContact O-CB 3.31Å; T478-A482 PolarHBondContact O-N 2.75Å; E479-A482 PolarHBondContact O-N 3.48Å; F480-A482 VanDerWaalsContact C-N 3.26Å; F480-A482 PolarHBondContact O-N 3.02Å; A482-H484 PolarHBondContact O-CD2 2.97Å; A482-H484 PolarHBondContact O-N 3.37Å; A482-H484 VanDerWaalsContact O-N 3.13Å
483	H	88	Confident	89	Confident	100 Å²	100	44.8 Å²	44.8	46%	0.463	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	25.4	-171.8	-55.9	-86.9	0	0	0	113.7	E479 F480 R481 R485	E479-H483 PolarHBondContact O-N 3.32Å; F480-H483 PolarHBondContact O-N 3.28Å; R481-H483 PolarHBondContact O-N 3.35Å; H483-R485 VanDerWaalsContact C-N 3.27Å
484	H	91.3	Very high	88	Confident	126 Å²	126	42.6 Å²	42.6	58%	0.583	23%	0.229	S	C	*	.	S	Bend	trans	-77	-18.7	171.4	-67.6	176.9	0	0	0	112.1	E479 A482	E479-H484 HydrophobicContact CB-CB 4.36Å; E479-H484 WeakPolarHBondContact O-CB 3.33Å; E479-H484 PolarHBondContact O-N 3.43Å; A482-H484 PolarHBondContact O-CD2 2.97Å; A482-H484 PolarHBondContact O-N 3.37Å; A482-H484 VanDerWaalsContact O-N 3.13Å
485	R	92.9	Very high	87.2	Confident	68 Å²	68	39.3 Å²	39.3	26%	0.257	21%	0.209	S	C	.	.			trans	-125	133.1	176.4	-55.7	-67.8	-176.6	-176.8	2.7	108.5	E460 V462 E479 F480 H483	E460-R485 CarbonylContact O-C 3.57Å; E460-R485 IonicContact OE2-CZ 2.74Å; E460-R485 IonicContact OE2-NH1 3.8Å; E460-R485 PolarHBondContact OE2-NH1 2.94Å; V462-R485 HydrophobicContact CG1-CB 4.47Å; V462-R485 HydrophobicContact CG1-CG 3.72Å; V462-R485 HydrophobicContact CG2-CB 4.1Å; V462-R485 HydrophobicContact CG2-CG 4.2Å; E479-R485 HydrophobicContact CB-CG 3.92Å; E479-R485 IonicContact OE1-NH2 2.71Å; E479-R485 IonicContact OE2-CZ 2.66Å; E479-R485 IonicContact OE2-NE 3.84Å; E479-R485 PolarHBondContact OE2-NE 3.4Å; E479-R485 IonicContact OE2-NH2 2.91Å; E479-R485 PolarHBondContact OE2-NH2 3.21Å; F480-R485 HydrophobicContact CD2-CB 4.42Å; F480-R485 WeakPolarHBondContact CD2-O 3.46Å; H483-R485 VanDerWaalsContact C-N 3.27Å
486	D	94	Very high	86.2	Confident	5 Å²	5	40.3 Å²	40.3	3%	0.027	21%	0.207	C	C	.	.	S	Bend	trans	-78.5	-29.4	-178.2	-77.6	-39.7	0	0	0	111.5	Y23 V26 R29 P435 P436 V437 E460	Y23-D486 PolarHBondContact OH-OD2 3.27Å; V26-D486 WeakPolarHBondContact CG2-OD1 3.26Å; V26-D486 WeakPolarHBondContact CG2-OD2 3.38Å; V26-D486 PolarHBondContact N-OD2 3.44Å; R29-D486 IonicContact NH2-OD1 3.48Å; R29-D486 PolarHBondContact NH2-OD1 3.1Å; R29-D486 IonicContact NH2-OD2 3.54Å; P435-D486 HydrophobicContact CB-CB 3.69Å; P435-D486 WeakPolarHBondContact CB-O 3.3Å; P435-D486 WeakPolarHBondContact CB-OD1 3.4Å; P435-D486 HydrophobicContact CG-CB 3.99Å; P435-D486 WeakPolarHBondContact CG-OD1 3.37Å; P436-D486 WeakPolarHBondContact CA-O 3.46Å; V437-D486 PolarHBondContact N-O 3.45Å; E460-D486 PolarHBondContact O-N 3.19Å
487	V	95.6	Very high	84.7	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	137.6	-171.7	-174.8	0	0	0	0	112.3	L430 V437 I439 L454 V459 E460 A461 V462 V489	L430-V487 HydrophobicContact CD2-CG1 4.44Å; L430-V487 HydrophobicContact CD2-CG2 3.8Å; V437-V487 HydrophobicContact CB-CG2 4.38Å; V437-V487 WeakPolarHBondContact O-CA 3.25Å; I439-V487 HydrophobicContact CD1-CG1 3.41Å; I439-V487 VanDerWaalsContact CD1-CG1 3.41Å; I439-V487 HydrophobicContact CG1-CG1 3.97Å; L454-V487 HydrophobicContact CD1-CG1 3.94Å; V459-V487 HydrophobicContact CG1-CB 4.28Å; V459-V487 HydrophobicContact CG1-CG2 3.56Å; E460-V487 PolarHBondContact O-N 2.95Å; E460-V487 VanDerWaalsContact O-N 3.16Å; A461-V487 VanDerWaalsContact CA-O 3.28Å; A461-V487 WeakPolarHBondContact CA-O 3.4Å; A461-V487 HydrophobicContact CB-CB 4.13Å; V462-V487 PolarHBondContact N-O 3.24Å; V487-V489 HydrophobicContact CG1-CG2 4.49Å
488	L	94.9	Very high	83.8	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	123	169.9	167.8	61	0	0	0	111	V437 I438 I439 V462 I464 F480 F500	V437-L488 PolarHBondContact O-N 3.21Å; I438-L488 CarbonylContact C-O 3.57Å; I438-L488 WeakPolarHBondContact CA-O 3.35Å; I438-L488 HydrophobicContact CD1-CD2 4.13Å; I438-L488 HydrophobicContact CG1-CB 4.35Å; I439-L488 PolarHBondContact N-O 2.67Å; V462-L488 HydrophobicContact CG2-CB 4.34Å; V462-L488 HydrophobicContact CG2-CD1 3.98Å; V462-L488 WeakPolarHBondContact O-CA 3.39Å; I464-L488 HydrophobicContact CB-CD1 4.32Å; I464-L488 HydrophobicContact CD1-CD1 3.56Å; I464-L488 HydrophobicContact CD1-CD2 4.14Å; I464-L488 HydrophobicContact CG1-CD1 3.61Å; F480-L488 HydrophobicContact CD1-CB 3.99Å; F480-L488 HydrophobicContact CD1-CD2 3.86Å; F480-L488 HydrophobicContact CD2-CB 3.67Å; F480-L488 HydrophobicContact CE1-CB 3.94Å; F480-L488 HydrophobicContact CE1-CD2 4.05Å; F480-L488 HydrophobicContact CE2-CB 3.62Å; F480-L488 HydrophobicContact CG-CB 3.85Å; F480-L488 HydrophobicContact CG-CD2 4.32Å; F480-L488 HydrophobicContact CZ-CB 3.74Å; L488-F500 HydrophobicContact CD2-CD1 4.04Å; L488-F500 HydrophobicContact CD2-CE1 3.24Å; L488-F500 HydrophobicContact CD2-CE2 4.15Å; L488-F500 HydrophobicContact CD2-CZ 3.3Å
489	V	96	Very high	82.7	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	126.3	175.7	-162.5	0	0	0	0	109.5	I439 V447 I450 L454 V462 S463 I464 V487	I439-V489 HydrophobicContact CB-CG1 4.3Å; I439-V489 HydrophobicContact CD1-CG2 4.29Å; I439-V489 HydrophobicContact CG2-CG1 4.36Å; I439-V489 CarbonylContact O-C 3.57Å; I439-V489 WeakPolarHBondContact O-CA 3.06Å; V447-V489 HydrophobicContact CB-CG1 4.23Å; V447-V489 HydrophobicContact CG1-CB 4.23Å; V447-V489 HydrophobicContact CG1-CG1 3.95Å; V447-V489 HydrophobicContact CG2-CG1 4.22Å; I450-V489 HydrophobicContact CB-CG1 4.06Å; I450-V489 HydrophobicContact CD1-CG1 4.36Å; I450-V489 HydrophobicContact CG2-CG1 3.83Å; I450-V489 HydrophobicContact CG2-CG2 3.88Å; L454-V489 HydrophobicContact CD1-CG2 3.94Å; V462-V489 PolarHBondContact O-N 2.68Å; S463-V489 CarbonylContact C-O 3.52Å; S463-V489 VanDerWaalsContact CA-O 3.28Å; S463-V489 WeakPolarHBondContact CA-O 3.47Å; I464-V489 PolarHBondContact N-O 3.37Å; V487-V489 HydrophobicContact CG1-CG2 4.49Å
490	A	93.7	Very high	81.9	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.008	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	150.1	-176.1	0	0	0	0	0	115.3	I439 F440 A441 I464	I439-A490 PolarHBondContact O-N 2.9Å; F440-A490 WeakPolarHBondContact CA-O 2.94Å; A441-A490 PolarHBondContact N-O 2.71Å; I464-A490 HydrophobicContact CB-CB 4.46Å; I464-A490 VanDerWaalsContact O-CA 3.26Å; I464-A490 WeakPolarHBondContact O-CA 3.34Å
491	T	91.8	Very high	80.7	Confident	12 Å²	12	37.9 Å²	37.9	7%	0.074	19%	0.193	C	C	.	.			trans	-81.9	149.4	163.3	58.3	0	0	0	0	110.9	A441 V447 I464 H465 V493 A494 S495	A441-T491 WeakPolarHBondContact O-CA 3.28Å; V447-T491 HydrophobicContact CG2-CG2 3.7Å; I464-T491 PolarHBondContact O-N 3.28Å; H465-T491 HydrophobicContact CB-CG2 3.83Å; T491-V493 VanDerWaalsContact C-N 3.31Å; T491-V493 PolarHBondContact O-N 3Å; T491-A494 WeakPolarHBondContact O-CA 3.4Å; T491-A494 WeakPolarHBondContact O-CB 3.47Å; T491-A494 PolarHBondContact O-N 2.79Å; T491-A494 VanDerWaalsContact OG1-CB 3.31Å; T491-A494 WeakPolarHBondContact OG1-CB 3.45Å; T491-S495 PolarHBondContact O-N 2.93Å; T491-S495 PolarHBondContact O-OG 3.17Å
492	D	82	Confident	80.2	Confident	20 Å²	20	38.7 Å²	38.7	11%	0.107	20%	0.201	C	C	.	.	H	α-helix	trans	-50.3	-46.1	177.9	-73.7	-42.9	0	0	0	114.2	A494 S495 K496 N517 R521	D492-A494 PolarHBondContact O-N 3.13Å; D492-S495 WeakPolarHBondContact CA-OG 3.2Å; D492-S495 PolarHBondContact O-N 2.93Å; D492-S495 PolarHBondContact O-OG 3.42Å; D492-K496 VanDerWaalsContact O-CB 3.28Å; D492-K496 WeakPolarHBondContact O-CB 3.42Å; D492-K496 WeakPolarHBondContact O-CD 3.47Å; D492-K496 WeakPolarHBondContact O-CG 3.46Å; D492-K496 PolarHBondContact O-N 3.35Å; D492-N517 VanDerWaalsContact CG-ND2 3.32Å; D492-N517 PolarHBondContact OD2-ND2 3.08Å; D492-R521 IonicContact OD1-CZ 3.76Å; D492-R521 IonicContact OD1-NE 2.78Å; D492-R521 PolarHBondContact OD1-NE 2.89Å; D492-R521 IonicContact OD1-NH2 3.22Å; D492-R521 IonicContact OD2-CZ 3.49Å; D492-R521 IonicContact OD2-NE 2.69Å; D492-R521 PolarHBondContact OD2-NE 2.98Å; D492-R521 IonicContact OD2-NH2 3.99Å; D492-R521 PolarHBondContact OD2-NH2 3.13Å
493	V	70.6	Confident	80.3	Confident	119 Å²	119	36.7 Å²	36.7	72%	0.721	18%	0.184	S	C	*	.	H	α-helix	trans	-60.3	-30.4	-179.5	-178.7	0	0	0	0	111.4	T491	T491-V493 VanDerWaalsContact C-N 3.31Å; T491-V493 PolarHBondContact O-N 3Å
494	A	63.4	Low	80.5	Confident	2 Å²	2	34.1 Å²	34.1	2%	0.017	17%	0.174	C	C	.	.	H	α-helix	trans	-91.6	-28.6	-177.1	0	0	0	0	0	113.9	I464 R473 T491 D492 L498	I464-A494 HydrophobicContact CG2-CB 3.87Å; I464-A494 VanDerWaalsContact O-CB 3.3Å; I464-A494 WeakPolarHBondContact O-CB 3.36Å; R473-A494 VanDerWaalsContact NH1-CB 3.33Å; R473-A494 PolarHBondContact NH2-O 2.89Å; R473-A494 VanDerWaalsContact NH2-O 3.14Å; T491-A494 WeakPolarHBondContact O-CA 3.4Å; T491-A494 WeakPolarHBondContact O-CB 3.47Å; T491-A494 PolarHBondContact O-N 2.79Å; T491-A494 VanDerWaalsContact OG1-CB 3.31Å; T491-A494 WeakPolarHBondContact OG1-CB 3.45Å; D492-A494 PolarHBondContact O-N 3.13Å; A494-L498 WeakPolarHBondContact O-CD1 3.42Å
495	S	67.2	Low	80.6	Confident	6 Å²	6	28.1 Å²	28.1	4%	0.042	15%	0.146	C	C	.	.	H	α-helix	trans	-86.8	-21.1	176.1	65.9	0	0	0	0	113.8	F440 T491 D492 G497 L498	F440-S495 WeakPolarHBondContact CE1-OG 3.48Å; T491-S495 PolarHBondContact O-N 2.93Å; T491-S495 PolarHBondContact O-OG 3.17Å; D492-S495 WeakPolarHBondContact CA-OG 3.2Å; D492-S495 PolarHBondContact O-N 2.93Å; D492-S495 PolarHBondContact O-OG 3.42Å; S495-G497 PolarHBondContact O-N 3.16Å; S495-L498 WeakPolarHBondContact O-CB 3.42Å; S495-L498 PolarHBondContact O-N 3Å
496	K	67.5	Low	80.7	Confident	79 Å²	79	24.9 Å²	24.9	34%	0.343	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	124.1	178.1	-91.4	167.3	-172.8	-177.7	0	111.5	D492 L498	D492-K496 VanDerWaalsContact O-CB 3.28Å; D492-K496 WeakPolarHBondContact O-CB 3.42Å; D492-K496 WeakPolarHBondContact O-CD 3.47Å; D492-K496 WeakPolarHBondContact O-CG 3.46Å; D492-K496 PolarHBondContact O-N 3.35Å; K496-L498 PolarHBondContact O-N 3.23Å
497	G	59.4	Low	80.8	Confident	5 Å²	5	24.7 Å²	24.7	5%	0.052	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	75	-0	-179.1	0	0	0	0	0	114.6	E269 Q273 S495	E269-G497 WeakPolarHBondContact CB-O 3.38Å; Q273-G497 PolarHBondContact NE2-O 3.06Å; S495-G497 PolarHBondContact O-N 3.16Å
498	L	67.4	Low	80.9	Confident	7 Å²	7	24.7 Å²	24.7	4%	0.037	13%	0.132	C	C	.	.			trans	-77.9	129.8	168.5	-64.6	-179.3	0	0	0	110	E269 I464 V477 A494 S495 K496 F500 R524	E269-L498 HydrophobicContact CG-CD2 4.17Å; I464-L498 HydrophobicContact CD1-CD1 4.18Å; V477-L498 HydrophobicContact CG2-CD1 3.75Å; V477-L498 HydrophobicContact CG2-CD2 4.27Å; A494-L498 WeakPolarHBondContact O-CD1 3.42Å; S495-L498 WeakPolarHBondContact O-CB 3.42Å; S495-L498 PolarHBondContact O-N 3Å; K496-L498 PolarHBondContact O-N 3.23Å; L498-F500 HydrophobicContact CB-CD2 4.44Å; L498-F500 HydrophobicContact CB-CE1 4.03Å; L498-F500 HydrophobicContact CB-CE2 3.61Å; L498-F500 HydrophobicContact CB-CZ 3.37Å; L498-F500 HydrophobicContact CD1-CE1 4.21Å; L498-F500 HydrophobicContact CD1-CZ 3.66Å; L498-F500 HydrophobicContact CG-CZ 4.16Å; L498-R524 PolarHBondContact O-NH1 3.01Å
499	D	65.2	Low	81	Confident	50 Å²	50	24.9 Å²	24.9	27%	0.267	13%	0.133	S	C	.	.			trans	-100.5	138.6	167.7	-162.6	24.9	0	0	0	110.4	Q273 R481 R527	Q273-D499 HydrophobicContact CG-CB 4.49Å; R481-D499 VanDerWaalsContact CZ-O 3.31Å; R481-D499 PolarHBondContact NE-O 3.09Å; R481-D499 PolarHBondContact NH2-O 3.14Å; D499-R527 IonicContact OD1-CZ 2.58Å; D499-R527 IonicContact OD1-NH1 2.68Å; D499-R527 PolarHBondContact OD1-NH1 3.5Å; D499-R527 IonicContact OD1-NH2 3.77Å; D499-R527 PolarHBondContact OD1-NH2 3.49Å; D499-R527 IonicContact OD2-NH1 2.73Å; D499-R527 PolarHBondContact OD2-NH1 3.44Å
500	F	72.8	Confident	80.9	Confident	9 Å²	9	25.7 Å²	25.7	4%	0.039	14%	0.138	C	C	.	.			trans	-127.6	152.8	-173.8	-59.9	-69.7	0	0	0	108.6	I438 V477 F480 L488 L498 I503	I438-F500 HydrophobicContact CD1-CB 4.27Å; I438-F500 HydrophobicContact CD1-CD1 4.35Å; I438-F500 HydrophobicContact CD1-CD2 3.24Å; I438-F500 HydrophobicContact CD1-CE2 3.49Å; I438-F500 VanDerWaalsContact CD1-CE2 3.49Å; I438-F500 HydrophobicContact CD1-CG 3.71Å; I438-F500 HydrophobicContact CD1-CZ 4.14Å; V477-F500 HydrophobicContact CG2-CE1 4.47Å; F480-F500 AromaticContact CD1-CD1 3.66Å; F480-F500 HydrophobicContact CD1-CD1 3.66Å; F480-F500 HydrophobicContact CD1-CE1 4.16Å; F480-F500 HydrophobicContact CD1-CG 4.35Å; F480-F500 HydrophobicContact CE1-CB 4.15Å; F480-F500 AromaticContact CE1-CD1 3.85Å; F480-F500 HydrophobicContact CE1-CD1 3.85Å; F480-F500 HydrophobicContact CE1-CE1 4.49Å; F480-F500 HydrophobicContact CE1-CG 4.09Å; L488-F500 HydrophobicContact CD2-CD1 4.04Å; L488-F500 HydrophobicContact CD2-CE1 3.24Å; L488-F500 HydrophobicContact CD2-CE2 4.15Å; L488-F500 HydrophobicContact CD2-CZ 3.3Å; L498-F500 HydrophobicContact CB-CD2 4.44Å; L498-F500 HydrophobicContact CB-CE1 4.03Å; L498-F500 HydrophobicContact CB-CE2 3.61Å; L498-F500 HydrophobicContact CB-CZ 3.37Å; L498-F500 HydrophobicContact CD1-CE1 4.21Å; L498-F500 HydrophobicContact CD1-CZ 3.66Å; L498-F500 HydrophobicContact CG-CZ 4.16Å; F500-I503 HydrophobicContact CB-CD1 3.94Å; F500-I503 HydrophobicContact CB-CG1 4.15Å; F500-I503 HydrophobicContact CD2-CD1 4.19Å; F500-I503 HydrophobicContact CG-CD1 4.46Å
501	P	66.2	Low	80.9	Confident	37 Å²	37	26.3 Å²	26.3	24%	0.24	14%	0.14	C	C	.	.	S	Bend	trans	-56.3	162	170	29.5	-38.7	0	0	0	110.2	I503	P501-I503 WeakPolarHBondContact O-CG1 3.31Å; P501-I503 PolarHBondContact O-N 2.9Å
502	E	76.7	Confident	80.7	Confident	117 Å²	117	26 Å²	26	55%	0.547	14%	0.138	S	C	.	.			trans	-39.1	98.9	-177.2	-65.2	172.6	170.2	0	0	112.6	P436 Q530	P436-E502 WeakPolarHBondContact CD-O 3.34Å; P436-E502 VanDerWaalsContact CG-O 3.26Å; P436-E502 WeakPolarHBondContact CG-O 3.47Å; E502-Q530 VanDerWaalsContact CD-OE1 3.27Å; E502-Q530 PolarHBondContact OE2-NE2 2.84Å; E502-Q530 PolarHBondContact OE2-OE1 2.94Å
503	I	89	Confident	80.9	Confident	7 Å²	7	32.1 Å²	32.1	4%	0.036	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-79	125.1	179.9	-63.4	157.5	0	0	0	107.7	I438 F500 P501 H505 V506 R524 T525	I438-I503 HydrophobicContact CD1-CD1 3.34Å; I438-I503 HydrophobicContact CD1-CG1 4.01Å; I438-I503 HydrophobicContact CG1-CD1 3.84Å; I438-I503 HydrophobicContact CG1-CG1 4.1Å; I438-I503 HydrophobicContact CG1-CG2 4.4Å; F500-I503 HydrophobicContact CB-CD1 3.94Å; F500-I503 HydrophobicContact CB-CG1 4.15Å; F500-I503 HydrophobicContact CD2-CD1 4.19Å; F500-I503 HydrophobicContact CG-CD1 4.46Å; P501-I503 WeakPolarHBondContact O-CG1 3.31Å; P501-I503 PolarHBondContact O-N 2.9Å; I503-H505 WeakPolarHBondContact CG2-O 3.43Å; I503-V506 HydrophobicContact CG2-CG2 4.13Å; I503-R524 HydrophobicContact CD1-CB 3.67Å; I503-T525 VanDerWaalsContact O-CB 3.22Å; I503-T525 WeakPolarHBondContact O-CB 3.33Å; I503-T525 PolarHBondContact O-OG1 2.81Å
504	N	92	Very high	81.4	Confident	47 Å²	47	29.1 Å²	29.1	25%	0.251	15%	0.147	S	C	.	.	S	Bend	trans	-80.7	-33.1	175.3	-65.1	-30.9	0	0	0	111.7	P434 P435 P436 T525 L533	P434-N504 VanDerWaalsContact O-CB 3.28Å; P434-N504 WeakPolarHBondContact O-CB 3.47Å; P434-N504 PolarHBondContact O-ND2 3.11Å; P435-N504 PolarHBondContact O-ND2 3.33Å; P435-N504 VanDerWaalsContact O-ND2 3.12Å; P436-N504 PolarHBondContact O-N 2.91Å; P436-N504 VanDerWaalsContact O-N 3.13Å; N504-T525 PolarHBondContact O-OG1 2.82Å; N504-L533 PolarHBondContact O-N 3.38Å
505	H	94.9	Very high	82.3	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	130.1	-172.6	-165.4	176.6	0	0	0	112.9	A429 T433 V437 I438 I503 L533 T535	A429-H505 PolarHBondContact O-CE1 2.93Å; T433-H505 HydrophobicContact CG2-CB 4.02Å; T433-H505 WeakPolarHBondContact OG1-CB 3.48Å; T433-H505 PolarHBondContact OG1-ND1 3.13Å; V437-H505 WeakPolarHBondContact CA-O 3.41Å; V437-H505 HydrophobicContact CB-CB 4.48Å; V437-H505 HydrophobicContact CG1-CB 4.01Å; V437-H505 WeakPolarHBondContact CG1-O 3.13Å; V437-H505 HydrophobicContact CG2-CB 4.09Å; I438-H505 PolarHBondContact N-O 2.94Å; I503-H505 WeakPolarHBondContact CG2-O 3.43Å; H505-L533 CarbonylContact C-O 3.52Å; H505-L533 VanDerWaalsContact CA-O 3.3Å; H505-L533 WeakPolarHBondContact CA-O 3.34Å; H505-L533 PolarHBondContact CD2-O 2.84Å; H505-T535 PolarHBondContact NE2-OG1 3.23Å
506	V	94.6	Very high	82.7	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	128.7	166.7	173.7	0	0	0	0	108.7	I438 F440 I503 R524 T525 L533 A534 T535	I438-V506 CarbonylContact O-C 3.57Å; I438-V506 WeakPolarHBondContact O-CA 3.43Å; F440-V506 HydrophobicContact CD2-CG1 3.72Å; F440-V506 HydrophobicContact CE2-CG1 3.68Å; I503-V506 HydrophobicContact CG2-CG2 4.13Å; V506-R524 HydrophobicContact CG2-CB 3.89Å; V506-T525 HydrophobicContact CB-CG2 4.3Å; V506-T525 HydrophobicContact CG2-CG2 3.77Å; V506-L533 PolarHBondContact N-O 3.28Å; V506-A534 CarbonylContact O-C 3.57Å; V506-A534 VanDerWaalsContact O-CA 3.26Å; V506-A534 WeakPolarHBondContact O-CA 3.15Å; V506-T535 PolarHBondContact O-N 2.57Å
507	I	96.9	Very high	83.4	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	114.3	173.7	-56.3	173.1	0	0	0	108.7	L426 A429 L430 V437 I438 I439 F440 Y509 T535 F537	L426-I507 HydrophobicContact CD1-CB 4.49Å; L426-I507 HydrophobicContact CD1-CD1 4.02Å; L426-I507 HydrophobicContact CD1-CG2 3.8Å; A429-I507 HydrophobicContact CB-CD1 3.87Å; L430-I507 HydrophobicContact CD2-CD1 3.99Å; L430-I507 HydrophobicContact CG-CD1 4.05Å; V437-I507 HydrophobicContact CG1-CD1 3.86Å; V437-I507 HydrophobicContact CG1-CG1 4.09Å; I438-I507 PolarHBondContact O-N 3.48Å; I439-I507 CarbonylContact C-O 3.52Å; I439-I507 VanDerWaalsContact CA-O 3.3Å; I439-I507 WeakPolarHBondContact CA-O 2.81Å; I439-I507 HydrophobicContact CG1-CB 4.19Å; I439-I507 HydrophobicContact CG1-CD1 4.35Å; F440-I507 PolarHBondContact N-O 3.24Å; I507-Y509 PolarHBondContact O-N 3.21Å; I507-T535 CarbonylContact C-O 3.53Å; I507-T535 VanDerWaalsContact CA-O 3.31Å; I507-T535 WeakPolarHBondContact CA-O 3.14Å; I507-F537 HydrophobicContact CG2-CE1 4.48Å; I507-F537 HydrophobicContact CG2-CE2 4.18Å; I507-F537 HydrophobicContact CG2-CZ 4.01Å
508	N	96.6	Very high	84.7	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	97.4	167.6	-66.6	-46.1	0	0	0	108.1	D510 R521 T535 T536 F537	N508-D510 VanDerWaalsContact C-N 3.27Å; N508-D510 PolarHBondContact O-N 2.83Å; N508-R521 WeakPolarHBondContact OD1-CD 3.43Å; N508-R521 PolarHBondContact OD1-NH1 3.43Å; N508-T535 PolarHBondContact N-O 2.91Å; N508-T536 HydrophobicContact CB-CG2 3.79Å; N508-T536 PolarHBondContact ND2-OG1 2.97Å; N508-F537 PolarHBondContact O-N 2.92Å
509	Y	96.6	Very high	85.3	Confident	4 Å²	4	27.9 Å²	27.9	2%	0.016	14%	0.142	C	C	.	.	S	Bend	trans	-64	-36.7	174.5	178	-88.7	0	0	0	110.8	K422 I423 F440 A441 D446 I450 I507 F537	K422-Y509 HydrophobicContact CB-CD2 4.09Å; K422-Y509 HydrophobicContact CB-CE1 4.47Å; K422-Y509 HydrophobicContact CB-CE2 3.35Å; K422-Y509 HydrophobicContact CD-CD1 4.2Å; K422-Y509 HydrophobicContact CD-CD2 4.43Å; K422-Y509 HydrophobicContact CD-CE1 3.79Å; K422-Y509 HydrophobicContact CD-CE2 4.07Å; K422-Y509 HydrophobicContact CD-CG 4.49Å; K422-Y509 WeakPolarHBondContact CD-O 3.32Å; K422-Y509 WeakPolarHBondContact CE-O 3.31Å; K422-Y509 HydrophobicContact CG-CE2 4.36Å; K422-Y509 PolarHBondContact NZ-O 2.84Å; I423-Y509 HydrophobicContact CG1-CE2 3.93Å; I423-Y509 WeakPolarHBondContact CG1-OH 3.28Å; F440-Y509 WeakPolarHBondContact O-CB 3.23Å; F440-Y509 PolarHBondContact O-N 3.11Å; A441-Y509 HydrophobicContact CB-CD1 3.93Å; A441-Y509 HydrophobicContact CB-CG 4.36Å; D446-Y509 HydrophobicContact CB-CE1 4.3Å; I450-Y509 HydrophobicContact CD1-CD1 3.82Å; I450-Y509 HydrophobicContact CD1-CD2 3.53Å; I450-Y509 HydrophobicContact CD1-CE1 4.06Å; I450-Y509 HydrophobicContact CD1-CE2 3.75Å; I450-Y509 HydrophobicContact CD1-CG 3.56Å; I450-Y509 HydrophobicContact CG1-CD2 4.17Å; I450-Y509 HydrophobicContact CG1-CE2 3.99Å; I507-Y509 PolarHBondContact O-N 3.21Å; Y509-F537 HydrophobicContact CD2-CD2 4.25Å; Y509-F537 HydrophobicContact CD2-CE2 4.35Å
510	D	94.5	Very high	86	Confident	17 Å²	17	26 Å²	26	9%	0.091	13%	0.131	C	C	.	.	S	Bend	trans	-119.3	134.1	167.1	-54.4	-57	0	0	0	109.9	K422 F440 A441 E442 N508 R521	K422-D510 IonicContact NZ-OD1 3.85Å; K422-D510 PolarHBondContact NZ-OD1 3.32Å; F440-D510 PolarHBondContact O-N 3.23Å; A441-D510 WeakPolarHBondContact CA-OD2 3.4Å; E442-D510 HydrophobicContact CB-CB 4.26Å; E442-D510 PolarHBondContact N-OD2 2.67Å; N508-D510 VanDerWaalsContact C-N 3.27Å; N508-D510 PolarHBondContact O-N 2.83Å; D510-R521 PolarHBondContact O-NH1 3.24Å
511	M	93.1	Very high	86.7	Confident	14 Å²	14	25.8 Å²	25.8	7%	0.069	13%	0.13	C	C	.	.			trans	-59.5	126.4	165.2	-177	64.5	-172	0	0	108.8	I515 Y518 T536 I538 V542 T546 L550	M511-I515 HydrophobicContact CE-CD1 4.23Å; M511-Y518 HydrophobicContact CE-CD2 3.92Å; M511-Y518 HydrophobicContact CE-CG 4.1Å; M511-Y518 HydrophobicContact SD-CD2 3.71Å; M511-Y518 HydrophobicContact SD-CE2 4.25Å; M511-Y518 HydrophobicContact SD-CG 4.46Å; M511-T536 HydrophobicContact CB-CG2 4.49Å; M511-T536 HydrophobicContact SD-CG2 3.8Å; M511-I538 HydrophobicContact CB-CG1 4.41Å; M511-V542 HydrophobicContact CB-CG1 4.08Å; M511-V542 HydrophobicContact CB-CG2 3.8Å; M511-V542 HydrophobicContact CG-CG1 3.79Å; M511-V542 HydrophobicContact CG-CG2 4.42Å; M511-T546 HydrophobicContact CE-CG2 3.7Å; M511-T546 HydrophobicContact CG-CG2 4.34Å; M511-L550 HydrophobicContact CE-CB 4.13Å; M511-L550 HydrophobicContact CE-CD1 4.37Å; M511-L550 HydrophobicContact CE-CD2 3.97Å; M511-L550 HydrophobicContact CE-CG 4.39Å; M511-L550 HydrophobicContact SD-CD2 4.06Å
512	P	89.1	Confident	87.8	Confident	5 Å²	5	24.1 Å²	24.1	3%	0.032	12%	0.119	C	C	.	.			trans	-67.7	153	174.6	28.3	-33.4	0	0	0	111.4	D514 N517 T546	P512-D514 PolarHBondContact O-N 3.49Å; P512-N517 HydrophobicContact CB-CB 4.03Å; P512-N517 VanDerWaalsContact CB-ND2 3.28Å; P512-N517 WeakPolarHBondContact CB-ND2 3.42Å; P512-N517 HydrophobicContact CG-CB 4.34Å; P512-T546 WeakPolarHBondContact O-CG2 3.43Å
513	E	85.7	Confident	88	Confident	150 Å²	150	18.9 Å²	18.9	70%	0.701	10%	0.096	S	C	*	.	S	Bend	trans	-55.8	-38.7	177.7	-58.7	-179.6	146.9	0	0	112.3	T546	E513-T546 VanDerWaalsContact O-CG2 3.25Å; E513-T546 WeakPolarHBondContact O-CG2 3.5Å; E513-T546 PolarHBondContact O-OG1 2.86Å
514	D	80.4	Confident	87.7	Confident	56 Å²	56	19.4 Å²	19.4	30%	0.299	10%	0.098	S	C	.	.	S	Bend	trans	-107.5	136	-177.6	-61.5	-55.1	0	0	0	113.4	P512 E516 N517 Y518 K599	P512-D514 PolarHBondContact O-N 3.49Å; D514-E516 VanDerWaalsContact C-N 3.26Å; D514-E516 PolarHBondContact O-N 2.83Å; D514-N517 HydrophobicContact CB-CB 4.34Å; D514-N517 WeakPolarHBondContact O-CB 3.42Å; D514-N517 PolarHBondContact O-N 3.35Å; D514-N517 VanDerWaalsContact O-N 3.12Å; D514-Y518 PolarHBondContact O-N 2.77Å; D514-K599 WeakPolarHBondContact OD1-CE 3.47Å
515	I	81.8	Confident	87.5	Confident	10 Å²	10	17.3 Å²	17.3	5%	0.051	9%	0.087	C	C	.	.	H	α-helix	trans	-61.8	-30.7	175.5	-164.8	64.3	0	0	0	113.2	M511 N517 Y518 V519 D549 L550 L553	M511-I515 HydrophobicContact CE-CD1 4.23Å; I515-N517 VanDerWaalsContact C-N 3.31Å; I515-N517 PolarHBondContact O-N 2.95Å; I515-Y518 HydrophobicContact CD1-CD1 3.92Å; I515-Y518 HydrophobicContact CD1-CG 4.26Å; I515-Y518 VanDerWaalsContact O-CB 3.31Å; I515-Y518 WeakPolarHBondContact O-CB 3.38Å; I515-Y518 PolarHBondContact O-N 3.25Å; I515-V519 WeakPolarHBondContact O-CG2 3.13Å; I515-V519 PolarHBondContact O-N 3.44Å; I515-D549 HydrophobicContact CB-CB 3.87Å; I515-D549 HydrophobicContact CD1-CB 4.3Å; I515-D549 HydrophobicContact CG1-CB 4.02Å; I515-D549 HydrophobicContact CG2-CB 4.15Å; I515-L550 HydrophobicContact CD1-CB 4.02Å; I515-L550 HydrophobicContact CD1-CD1 4.16Å; I515-L553 HydrophobicContact CD1-CB 4.42Å; I515-L553 HydrophobicContact CD1-CD1 3.89Å; I515-L553 HydrophobicContact CG1-CD1 3.71Å
516	E	76	Confident	86.8	Confident	21 Å²	21	17.5 Å²	17.5	10%	0.098	9%	0.089	C	C	.	.	H	α-helix	trans	-63.7	-40.8	176.7	-48.8	-175.6	109.3	0	0	110.8	T379 D514 Y518 V519 H520 K599	T379-E516 VanDerWaalsContact CB-OE1 3.29Å; T379-E516 WeakPolarHBondContact CB-OE1 3.35Å; T379-E516 HydrophobicContact CG2-CB 4.44Å; T379-E516 HydrophobicContact CG2-CG 4.01Å; T379-E516 WeakPolarHBondContact CG2-OE1 3.3Å; T379-E516 PolarHBondContact OG1-OE1 3.01Å; D514-E516 VanDerWaalsContact C-N 3.26Å; D514-E516 PolarHBondContact O-N 2.83Å; E516-Y518 VanDerWaalsContact C-N 3.34Å; E516-V519 PolarHBondContact O-N 3.25Å; E516-H520 PolarHBondContact O-CD2 2.93Å; E516-H520 PolarHBondContact O-N 3.49Å; E516-K599 IonicContact OE2-NZ 3.18Å; E516-K599 PolarHBondContact OE2-NZ 3.08Å
517	N	81.6	Confident	85.8	Confident	25 Å²	25	21 Å²	21	13%	0.134	10%	0.102	C	C	.	.	H	α-helix	trans	-68.7	-35.9	177.2	-166.7	44.4	0	0	0	110.9	D492 P512 D514 I515 H520 R521	D492-N517 VanDerWaalsContact CG-ND2 3.32Å; D492-N517 PolarHBondContact OD2-ND2 3.08Å; P512-N517 HydrophobicContact CB-CB 4.03Å; P512-N517 VanDerWaalsContact CB-ND2 3.28Å; P512-N517 WeakPolarHBondContact CB-ND2 3.42Å; P512-N517 HydrophobicContact CG-CB 4.34Å; D514-N517 HydrophobicContact CB-CB 4.34Å; D514-N517 WeakPolarHBondContact O-CB 3.42Å; D514-N517 PolarHBondContact O-N 3.35Å; D514-N517 VanDerWaalsContact O-N 3.12Å; I515-N517 VanDerWaalsContact C-N 3.31Å; I515-N517 PolarHBondContact O-N 2.95Å; N517-H520 PolarHBondContact O-N 3.07Å; N517-R521 WeakPolarHBondContact O-CG 3.41Å; N517-R521 PolarHBondContact O-N 3.05Å
518	Y	87.2	Confident	84.4	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-56	-53.4	169.6	171.4	-92.1	0	0	0	111.5	Q412 M511 D514 I515 E516 H520 R521 I522 T536 L550 L553	Q412-Y518 PolarHBondContact OE1-OH 2.71Å; M511-Y518 HydrophobicContact CE-CD2 3.92Å; M511-Y518 HydrophobicContact CE-CG 4.1Å; M511-Y518 HydrophobicContact SD-CD2 3.71Å; M511-Y518 HydrophobicContact SD-CE2 4.25Å; M511-Y518 HydrophobicContact SD-CG 4.46Å; D514-Y518 PolarHBondContact O-N 2.77Å; I515-Y518 HydrophobicContact CD1-CD1 3.92Å; I515-Y518 HydrophobicContact CD1-CG 4.26Å; I515-Y518 VanDerWaalsContact O-CB 3.31Å; I515-Y518 WeakPolarHBondContact O-CB 3.38Å; I515-Y518 PolarHBondContact O-N 3.25Å; E516-Y518 VanDerWaalsContact C-N 3.34Å; Y518-H520 VanDerWaalsContact C-N 3.27Å; Y518-H520 PolarHBondContact O-N 3.49Å; Y518-R521 PolarHBondContact O-N 3.39Å; Y518-I522 HydrophobicContact CD1-CD1 4.21Å; Y518-I522 HydrophobicContact CD2-CG2 4.38Å; Y518-I522 HydrophobicContact CE1-CD1 3.59Å; Y518-I522 HydrophobicContact CE1-CG1 4.43Å; Y518-I522 HydrophobicContact CE1-CG2 4.3Å; Y518-I522 HydrophobicContact CE2-CG2 4.03Å; Y518-I522 PolarHBondContact O-N 3.05Å; Y518-T536 HydrophobicContact CD2-CG2 4.47Å; Y518-T536 HydrophobicContact CE2-CG2 4.05Å; Y518-T536 WeakPolarHBondContact CE2-OG1 3.31Å; Y518-L550 HydrophobicContact CD1-CD1 4.09Å; Y518-L550 HydrophobicContact CD2-CD1 4.37Å; Y518-L550 HydrophobicContact CE1-CD1 3.57Å; Y518-L550 HydrophobicContact CE2-CD1 3.85Å; Y518-L550 HydrophobicContact CG-CD1 4.48Å; Y518-L550 VanDerWaalsContact CZ-CD1 3.44Å; Y518-L553 HydrophobicContact CD1-CD1 4.45Å; Y518-L553 HydrophobicContact CE1-CD2 3.95Å
519	V	81.3	Confident	83	Confident	17 Å²	17	32.6 Å²	32.6	10%	0.103	17%	0.17	C	C	.	.	H	α-helix	trans	-55.7	-42	177.2	175.2	0	0	0	0	111.6	G404 I515 E516 R521 I522 G523 L553	G404-V519 WeakPolarHBondContact O-CG2 3.5Å; I515-V519 WeakPolarHBondContact O-CG2 3.13Å; I515-V519 PolarHBondContact O-N 3.44Å; E516-V519 PolarHBondContact O-N 3.25Å; V519-R521 PolarHBondContact O-N 2.93Å; V519-I522 WeakPolarHBondContact O-CG1 3.42Å; V519-G523 PolarHBondContact O-N 3.39Å; V519-L553 HydrophobicContact CG2-CD1 3.45Å; V519-L553 VanDerWaalsContact CG2-CD1 3.45Å
520	H	78.8	Confident	81.9	Confident	11 Å²	11	36.2 Å²	36.2	5%	0.051	19%	0.187	C	C	.	.	H	α-helix	trans	-71.3	-25.2	178.4	-72.7	-58.3	0	0	0	115.5	R350 E516 N517 Y518 R524	R350-H520 PolarHBondContact NE-CD2 2.91Å; R350-H520 VanDerWaalsContact NE-CD2 3.33Å; R350-H520 PolarHBondContact NE-CE1 3.49Å; R350-H520 VanDerWaalsContact NE-CE1 3.34Å; R350-H520 PolarHBondContact NE-NE2 3.46Å; R350-H520 VanDerWaalsContact NH2-CB 3.27Å; R350-H520 PolarHBondContact NH2-CD2 3.33Å; E516-H520 PolarHBondContact O-CD2 2.93Å; E516-H520 PolarHBondContact O-N 3.49Å; N517-H520 PolarHBondContact O-N 3.07Å; Y518-H520 VanDerWaalsContact C-N 3.27Å; Y518-H520 PolarHBondContact O-N 3.49Å; H520-R524 PolarHBondContact O-NE 2.86Å
521	R	88.3	Confident	81.4	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.015	22%	0.221	C	C	.	.	H	α-helix	trans	-76.9	-51.3	173	-74.7	-175.6	-174	-178.1	4.4	110.2	F440 D492 N508 D510 N517 Y518 V519 G523 R524	F440-R521 HydrophobicContact CB-CG 4.5Å; F440-R521 HydrophobicContact CD2-CB 3.64Å; F440-R521 HydrophobicContact CD2-CG 3.61Å; F440-R521 HydrophobicContact CE2-CB 3.74Å; F440-R521 HydrophobicContact CE2-CG 3.9Å; F440-R521 HydrophobicContact CG-CG 3.99Å; D492-R521 IonicContact OD1-CZ 3.76Å; D492-R521 IonicContact OD1-NE 2.78Å; D492-R521 PolarHBondContact OD1-NE 2.89Å; D492-R521 IonicContact OD1-NH2 3.22Å; D492-R521 IonicContact OD2-CZ 3.49Å; D492-R521 IonicContact OD2-NE 2.69Å; D492-R521 PolarHBondContact OD2-NE 2.98Å; D492-R521 IonicContact OD2-NH2 3.99Å; D492-R521 PolarHBondContact OD2-NH2 3.13Å; N508-R521 WeakPolarHBondContact OD1-CD 3.43Å; N508-R521 PolarHBondContact OD1-NH1 3.43Å; D510-R521 PolarHBondContact O-NH1 3.24Å; N517-R521 WeakPolarHBondContact O-CG 3.41Å; N517-R521 PolarHBondContact O-N 3.05Å; Y518-R521 PolarHBondContact O-N 3.39Å; V519-R521 PolarHBondContact O-N 2.93Å; R521-G523 VanDerWaalsContact C-N 3.32Å; R521-G523 PolarHBondContact O-N 2.88Å; R521-R524 VanDerWaalsContact O-CB 3.28Å; R521-R524 WeakPolarHBondContact O-CB 3.22Å; R521-R524 WeakPolarHBondContact O-CG 3.44Å; R521-R524 PolarHBondContact O-N 3.17Å
522	I	88	Confident	81.3	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-67.3	-33.8	-179.6	70.7	170.8	0	0	0	111.8	A406 V410 Q412 Y518 V519 R524 T525 A534	A406-I522 HydrophobicContact CB-CD1 3.61Å; V410-I522 HydrophobicContact CG1-CB 4.26Å; Q412-I522 HydrophobicContact CG-CD1 3.88Å; Y518-I522 HydrophobicContact CD1-CD1 4.21Å; Y518-I522 HydrophobicContact CD2-CG2 4.38Å; Y518-I522 HydrophobicContact CE1-CD1 3.59Å; Y518-I522 HydrophobicContact CE1-CG1 4.43Å; Y518-I522 HydrophobicContact CE1-CG2 4.3Å; Y518-I522 HydrophobicContact CE2-CG2 4.03Å; Y518-I522 PolarHBondContact O-N 3.05Å; V519-I522 WeakPolarHBondContact O-CG1 3.42Å; I522-R524 PolarHBondContact O-N 3.13Å; I522-T525 WeakPolarHBondContact O-CG2 3.07Å; I522-T525 PolarHBondContact O-N 3.5Å; I522-T525 VanDerWaalsContact O-N 3.08Å; I522-A534 HydrophobicContact CB-CB 3.72Å; I522-A534 HydrophobicContact CG2-CB 3.55Å
523	G	81.3	Confident	81.5	Confident	7 Å²	7	46 Å²	46	7%	0.072	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	7.6	173.5	0	0	0	0	0	115.5	T228 V519 R521	T228-G523 PolarHBondContact OG1-O 3.37Å; V519-G523 PolarHBondContact O-N 3.39Å; R521-G523 VanDerWaalsContact C-N 3.32Å; R521-G523 PolarHBondContact O-N 2.88Å
524	R	83.6	Confident	81.9	Confident	18 Å²	18	38.8 Å²	38.8	7%	0.068	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-32.5	166	-60	-75.4	145.5	-168.2	-16.3	111	F440 L498 I503 V506 H520 R521 I522 R527	F440-R524 HydrophobicContact CE2-CG 4.18Å; F440-R524 HydrophobicContact CZ-CG 4.03Å; L498-R524 PolarHBondContact O-NH1 3.01Å; I503-R524 HydrophobicContact CD1-CB 3.67Å; V506-R524 HydrophobicContact CG2-CB 3.89Å; H520-R524 PolarHBondContact O-NE 2.86Å; R521-R524 VanDerWaalsContact O-CB 3.28Å; R521-R524 WeakPolarHBondContact O-CB 3.22Å; R521-R524 WeakPolarHBondContact O-CG 3.44Å; R521-R524 PolarHBondContact O-N 3.17Å; I522-R524 PolarHBondContact O-N 3.13Å; R524-R527 PolarHBondContact O-NE 2.69Å
525	T	86.8	Confident	82.6	Confident	3 Å²	3	36.1 Å²	36.1	2%	0.018	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-98.8	178.9	172.4	-173.2	0	0	0	0	111.5	V410 I503 N504 V506 I522 G532 L533	V410-T525 HydrophobicContact CG1-CG2 3.96Å; V410-T525 HydrophobicContact CG2-CG2 4.07Å; I503-T525 VanDerWaalsContact O-CB 3.22Å; I503-T525 WeakPolarHBondContact O-CB 3.33Å; I503-T525 PolarHBondContact O-OG1 2.81Å; N504-T525 PolarHBondContact O-OG1 2.82Å; V506-T525 HydrophobicContact CB-CG2 4.3Å; V506-T525 HydrophobicContact CG2-CG2 3.77Å; I522-T525 WeakPolarHBondContact O-CG2 3.07Å; I522-T525 PolarHBondContact O-N 3.5Å; I522-T525 VanDerWaalsContact O-N 3.08Å; T525-G532 WeakPolarHBondContact OG1-CA 3.26Å; T525-L533 WeakPolarHBondContact CG2-O 3.47Å
526	G	81.3	Confident	83.3	Confident	4 Å²	4	35.7 Å²	35.7	4%	0.041	18%	0.175	C	C	.	.	S	Bend	trans	65.4	38.2	176.7	0	0	0	0	0	114.9	S407 N409 Q530	S407-G526 PolarHBondContact OG-O 2.68Å; N409-G526 WeakPolarHBondContact CB-O 3.26Å; N409-G526 PolarHBondContact ND2-O 2.86Å; G526-Q530 CarbonylContact C-O 3.58Å; G526-Q530 WeakPolarHBondContact CA-O 3.36Å
527	R	73	Confident	84.3	Confident	73 Å²	73	34.7 Å²	34.7	28%	0.275	17%	0.17	S	C	.	.			trans	-84.3	142.5	-176.1	-67.5	-176.1	173.8	-156.2	4.6	112.4	D499 R524 H529 Q530	D499-R527 IonicContact OD1-CZ 2.58Å; D499-R527 IonicContact OD1-NH1 2.68Å; D499-R527 PolarHBondContact OD1-NH1 3.5Å; D499-R527 IonicContact OD1-NH2 3.77Å; D499-R527 PolarHBondContact OD1-NH2 3.49Å; D499-R527 IonicContact OD2-NH1 2.73Å; D499-R527 PolarHBondContact OD2-NH1 3.44Å; R524-R527 PolarHBondContact O-NE 2.69Å; R527-H529 PolarHBondContact O-N 3.43Å; R527-Q530 PolarHBondContact O-N 2.77Å; R527-Q530 VanDerWaalsContact O-N 3.13Å
528	G	67	Low	84.9	Confident	53 Å²	53	33.6 Å²	33.6	55%	0.546	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	-104.3	175.2	0	0	0	0	0	112.4	N409	N409-G528 PolarHBondContact ND2-O 2.71Å
529	H	66.9	Low	85.1	Confident	192 Å²	192	34.2 Å²	34.2	89%	0.889	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.8	-4.9	-179.4	-58.4	-53.1	0	0	0	113.8	R527	R527-H529 PolarHBondContact O-N 3.43Å
530	Q	73.7	Confident	85.4	Confident	80 Å²	80	42.4 Å²	42.4	37%	0.374	20%	0.202	S	C	.	.			trans	-82.3	142.1	-180	-72.3	172.5	-16.6	0	0	110.9	N409 E502 G526 R527	N409-Q530 WeakPolarHBondContact CB-O 3.17Å; E502-Q530 VanDerWaalsContact CD-OE1 3.27Å; E502-Q530 PolarHBondContact OE2-NE2 2.84Å; E502-Q530 PolarHBondContact OE2-OE1 2.94Å; G526-Q530 CarbonylContact C-O 3.58Å; G526-Q530 WeakPolarHBondContact CA-O 3.36Å; R527-Q530 PolarHBondContact O-N 2.77Å; R527-Q530 VanDerWaalsContact O-N 3.13Å
531	R	84.9	Confident	85.8	Confident	212 Å²	212	46.7 Å²	46.7	80%	0.8	23%	0.233	S	C	*	.			trans	-78.5	145.3	168	-71.9	-177.8	173.9	176.6	-2.7	110.3	N409	N409-R531 CarbonylContact O-C 3.56Å; N409-R531 VanDerWaalsContact O-CA 3.26Å; N409-R531 WeakPolarHBondContact O-CA 3.36Å
532	G	89.8	Confident	85.8	Confident	6 Å²	6	47.7 Å²	47.7	6%	0.062	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	152.3	177.7	0	0	0	0	0	111.8	N409 V410 T411 T525	N409-G532 PolarHBondContact O-N 2.84Å; V410-G532 CarbonylContact C-O 3.56Å; V410-G532 WeakPolarHBondContact CA-O 3.48Å; T411-G532 PolarHBondContact N-O 3.31Å; T525-G532 WeakPolarHBondContact OG1-CA 3.26Å
533	L	93.7	Very high	85.7	Confident	22 Å²	22	51.4 Å²	51.4	12%	0.115	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	138.5	171.7	-171.4	61.6	0	0	0	110.7	T411 E413 K432 T433 N504 H505 V506 T525	T411-L533 HydrophobicContact CG2-CD1 3.95Å; E413-L533 HydrophobicContact CG-CD1 3.93Å; K432-L533 HydrophobicContact CB-CD2 3.83Å; K432-L533 HydrophobicContact CD-CD2 4.06Å; T433-L533 HydrophobicContact CG2-CB 3.92Å; T433-L533 HydrophobicContact CG2-CD2 3.65Å; T433-L533 HydrophobicContact CG2-CG 4.44Å; N504-L533 PolarHBondContact O-N 3.38Å; H505-L533 CarbonylContact C-O 3.52Å; H505-L533 VanDerWaalsContact CA-O 3.3Å; H505-L533 WeakPolarHBondContact CA-O 3.34Å; H505-L533 PolarHBondContact CD2-O 2.84Å; V506-L533 PolarHBondContact N-O 3.28Å; T525-L533 WeakPolarHBondContact CG2-O 3.47Å
534	A	94.4	Very high	85.9	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	105.2	171.6	0	0	0	0	0	110.4	V410 T411 Q412 E413 V506 I522	V410-A534 HydrophobicContact CG1-CB 3.54Å; T411-A534 PolarHBondContact O-N 2.8Å; Q412-A534 WeakPolarHBondContact CA-O 3.36Å; Q412-A534 HydrophobicContact CG-CB 4.37Å; E413-A534 PolarHBondContact N-O 2.88Å; V506-A534 CarbonylContact O-C 3.57Å; V506-A534 VanDerWaalsContact O-CA 3.26Å; V506-A534 WeakPolarHBondContact O-CA 3.15Å; I522-A534 HydrophobicContact CB-CB 3.72Å; I522-A534 HydrophobicContact CG2-CB 3.55Å
535	T	96.3	Very high	85.9	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	132.5	176.3	-49.7	0	0	0	0	109.8	E413 E415 A429 H505 V506 I507 N508 F537	E413-T535 HydrophobicContact CB-CG2 4.31Å; E413-T535 CarbonylContact O-C 3.59Å; E413-T535 WeakPolarHBondContact O-CA 3.11Å; E413-T535 PolarHBondContact OE2-OG1 3.39Å; E415-T535 HydrophobicContact CG-CG2 4.19Å; E415-T535 WeakPolarHBondContact OE2-CG2 3.49Å; A429-T535 HydrophobicContact CB-CG2 4.43Å; H505-T535 PolarHBondContact NE2-OG1 3.23Å; V506-T535 PolarHBondContact O-N 2.57Å; I507-T535 CarbonylContact C-O 3.53Å; I507-T535 VanDerWaalsContact CA-O 3.31Å; I507-T535 WeakPolarHBondContact CA-O 3.14Å; N508-T535 PolarHBondContact N-O 2.91Å; T535-F537 HydrophobicContact CG2-CD1 4.36Å; T535-F537 HydrophobicContact CG2-CE1 3.88Å
536	T	96.2	Very high	85.8	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	123.4	-176.2	-60.4	0	0	0	0	111.9	E413 E415 N508 M511 Y518 I538	E413-T536 PolarHBondContact O-N 2.93Å; E415-T536 PolarHBondContact N-O 2.84Å; N508-T536 HydrophobicContact CB-CG2 3.79Å; N508-T536 PolarHBondContact ND2-OG1 2.97Å; M511-T536 HydrophobicContact CB-CG2 4.49Å; M511-T536 HydrophobicContact SD-CG2 3.8Å; Y518-T536 HydrophobicContact CD2-CG2 4.47Å; Y518-T536 HydrophobicContact CE2-CG2 4.05Å; Y518-T536 WeakPolarHBondContact CE2-OG1 3.31Å; T536-I538 HydrophobicContact CG2-CG1 4.23Å
537	F	96.5	Very high	86.1	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	122.5	179.6	-57.7	-20.4	0	0	0	111.2	E415 V417 K422 H425 L426 A429 I507 N508 Y509 T535	E415-F537 HydrophobicContact CB-CD1 4.38Å; E415-F537 WeakPolarHBondContact O-CA 3.42Å; E415-F537 WeakPolarHBondContact OE2-CE1 3.33Å; V417-F537 HydrophobicContact CB-CB 4.25Å; V417-F537 HydrophobicContact CB-CG 4.36Å; V417-F537 HydrophobicContact CG2-CB 4.19Å; V417-F537 HydrophobicContact CG2-CD1 3.77Å; V417-F537 HydrophobicContact CG2-CE1 4.38Å; V417-F537 HydrophobicContact CG2-CG 4Å; K422-F537 HydrophobicContact CB-CD2 4.34Å; K422-F537 HydrophobicContact CG-CD2 4.34Å; H425-F537 AromaticContact CD2-CE1 3.55Å; H425-F537 AromaticContact CD2-CZ 3.72Å; L426-F537 HydrophobicContact CB-CE2 4.32Å; L426-F537 HydrophobicContact CD1-CE2 4.16Å; L426-F537 HydrophobicContact CD1-CZ 4.44Å; A429-F537 HydrophobicContact CB-CE1 4.15Å; A429-F537 HydrophobicContact CB-CZ 3.83Å; I507-F537 HydrophobicContact CG2-CE1 4.48Å; I507-F537 HydrophobicContact CG2-CE2 4.18Å; I507-F537 HydrophobicContact CG2-CZ 4.01Å; N508-F537 PolarHBondContact O-N 2.92Å; Y509-F537 HydrophobicContact CD2-CD2 4.25Å; Y509-F537 HydrophobicContact CD2-CE2 4.35Å; T535-F537 HydrophobicContact CG2-CD1 4.36Å; T535-F537 HydrophobicContact CG2-CE1 3.88Å
538	I	94.1	Very high	86.7	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	147.9	-179.7	-63.7	-168.9	0	0	0	110.4	V414 E415 Y416 V417 M511 T536 V542 L547 L550 F564	V414-I538 HydrophobicContact CG1-CD1 3.27Å; V414-I538 HydrophobicContact CG1-CG1 3.87Å; E415-I538 PolarHBondContact O-N 2.85Å; Y416-I538 CarbonylContact C-O 3.52Å; Y416-I538 WeakPolarHBondContact CA-O 3.29Å; V417-I538 PolarHBondContact N-O 2.81Å; M511-I538 HydrophobicContact CB-CG1 4.41Å; T536-I538 HydrophobicContact CG2-CG1 4.23Å; I538-V542 HydrophobicContact CG2-CG2 4.2Å; I538-L547 HydrophobicContact CD1-CD2 3.7Å; I538-L547 HydrophobicContact CG1-CD2 4.5Å; I538-L547 HydrophobicContact CG2-CD2 3.57Å; I538-L550 HydrophobicContact CD1-CD2 3.42Å; I538-L550 VanDerWaalsContact CD1-CD2 3.42Å; I538-F564 HydrophobicContact CG2-CE2 4.25Å
539	N	90.9	Very high	87.5	Confident	13 Å²	13	52.1 Å²	52.1	7%	0.07	25%	0.253	C	S	.	.			trans	-148.8	178.7	176.3	65.6	2.4	0	0	0	110.1	V417 S541 V542	V417-N539 WeakPolarHBondContact O-CB 3.46Å; N539-S541 VanDerWaalsContact CG-OG 3.28Å; N539-S541 PolarHBondContact ND2-OG 2.85Å; N539-S541 VanDerWaalsContact ND2-OG 3.13Å; N539-S541 PolarHBondContact O-N 2.86Å; N539-S541 PolarHBondContact OD1-N 3.32Å; N539-S541 PolarHBondContact OD1-OG 2.81Å; N539-V542 PolarHBondContact O-N 2.86Å
540	K	87.6	Confident	88.5	Confident	189 Å²	189	43 Å²	43	82%	0.822	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	0.6	179.1	-69.2	-177.9	179	-163.9	0	116	Y416	Y416-K540 HydrophobicContact CE2-CG 4.32Å; Y416-K540 WeakPolarHBondContact OH-CG 3.49Å
541	S	87	Confident	89.1	Confident	101 Å²	101	39.8 Å²	39.8	71%	0.706	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-1.9	174.5	58.5	0	0	0	0	113.4	N539	N539-S541 VanDerWaalsContact CG-OG 3.28Å; N539-S541 PolarHBondContact ND2-OG 2.85Å; N539-S541 VanDerWaalsContact ND2-OG 3.13Å; N539-S541 PolarHBondContact O-N 2.86Å; N539-S541 PolarHBondContact OD1-N 3.32Å; N539-S541 PolarHBondContact OD1-OG 2.81Å
542	V	88.4	Confident	89	Confident	25 Å²	25	31.7 Å²	31.7	15%	0.152	17%	0.167	C	C	.	.	S	Bend	trans	-79.2	137.9	170.6	-173.6	0	0	0	0	109	M511 I538 N539 L547	M511-V542 HydrophobicContact CB-CG1 4.08Å; M511-V542 HydrophobicContact CB-CG2 3.8Å; M511-V542 HydrophobicContact CG-CG1 3.79Å; M511-V542 HydrophobicContact CG-CG2 4.42Å; I538-V542 HydrophobicContact CG2-CG2 4.2Å; N539-V542 PolarHBondContact O-N 2.86Å; V542-L547 HydrophobicContact CB-CD1 4.5Å; V542-L547 HydrophobicContact CB-CD2 3.98Å; V542-L547 HydrophobicContact CB-CG 4.26Å; V542-L547 HydrophobicContact CG1-CD2 3.59Å; V542-L547 HydrophobicContact CG1-CG 3.89Å
543	D	87.3	Confident	88.7	Confident	80 Å²	80	31.6 Å²	31.6	43%	0.428	16%	0.164	S	C	.	.			trans	-67.6	142.8	179	-176.2	35.9	0	0	0	112.5	S545 T546 L547	D543-S545 VanDerWaalsContact C-N 3.34Å; D543-S545 PolarHBondContact O-N 3.39Å; D543-S545 PolarHBondContact OD2-OG 2.89Å; D543-T546 PolarHBondContact O-N 2.82Å; D543-T546 VanDerWaalsContact O-N 3.16Å; D543-L547 WeakPolarHBondContact O-CG 3.28Å; D543-L547 PolarHBondContact O-N 2.78Å; D543-L547 VanDerWaalsContact O-N 3.12Å
544	E	85	Confident	88.4	Confident	109 Å²	109	30.5 Å²	30.5	51%	0.509	16%	0.159	S	C	.	.	H	α-helix	trans	-65.9	-36.8	-173.5	-167.3	174.8	166.9	0	0	111.6	T546 L547 L548 L568	E544-T546 VanDerWaalsContact C-N 3.29Å; E544-T546 PolarHBondContact O-N 2.83Å; E544-L547 PolarHBondContact O-N 2.74Å; E544-L548 HydrophobicContact CG-CD1 4.37Å; E544-L548 WeakPolarHBondContact O-CG 3.48Å; E544-L548 PolarHBondContact O-N 2.95Å; E544-L568 HydrophobicContact CG-CD2 4.34Å
545	S	82.5	Confident	87.9	Confident	19 Å²	19	35 Å²	35	13%	0.133	18%	0.182	C	C	.	.	H	α-helix	trans	-54.9	-45.1	173.1	-15.4	0	0	0	0	112	D543 L548 D549	D543-S545 VanDerWaalsContact C-N 3.34Å; D543-S545 PolarHBondContact O-N 3.39Å; D543-S545 PolarHBondContact OD2-OG 2.89Å; S545-L548 PolarHBondContact O-N 3.13Å; S545-D549 VanDerWaalsContact O-CG 3.23Å; S545-D549 PolarHBondContact O-N 3.43Å
546	T	85.4	Confident	86.9	Confident	7 Å²	7	37.6 Å²	37.6	4%	0.043	19%	0.194	C	C	.	.	H	α-helix	trans	-72.4	-31.9	-177.5	-52.9	0	0	0	0	111.5	M511 P512 E513 D543 E544 L550	M511-T546 HydrophobicContact CE-CG2 3.7Å; M511-T546 HydrophobicContact CG-CG2 4.34Å; P512-T546 WeakPolarHBondContact O-CG2 3.43Å; E513-T546 VanDerWaalsContact O-CG2 3.25Å; E513-T546 WeakPolarHBondContact O-CG2 3.5Å; E513-T546 PolarHBondContact O-OG1 2.86Å; D543-T546 PolarHBondContact O-N 2.82Å; D543-T546 VanDerWaalsContact O-N 3.16Å; E544-T546 VanDerWaalsContact C-N 3.29Å; E544-T546 PolarHBondContact O-N 2.83Å; T546-L550 WeakPolarHBondContact O-CB 3.3Å; T546-L550 PolarHBondContact O-N 3.41Å
547	L	88	Confident	86	Confident	19 Å²	19	37.8 Å²	37.8	10%	0.099	20%	0.195	C	C	.	.	H	α-helix	trans	-69.3	-38.9	172	-63.2	179.7	0	0	0	112.2	I538 V542 D543 E544 L550 K551 L565 L568	I538-L547 HydrophobicContact CD1-CD2 3.7Å; I538-L547 HydrophobicContact CG1-CD2 4.5Å; I538-L547 HydrophobicContact CG2-CD2 3.57Å; V542-L547 HydrophobicContact CB-CD1 4.5Å; V542-L547 HydrophobicContact CB-CD2 3.98Å; V542-L547 HydrophobicContact CB-CG 4.26Å; V542-L547 HydrophobicContact CG1-CD2 3.59Å; V542-L547 HydrophobicContact CG1-CG 3.89Å; D543-L547 WeakPolarHBondContact O-CG 3.28Å; D543-L547 PolarHBondContact O-N 2.78Å; D543-L547 VanDerWaalsContact O-N 3.12Å; E544-L547 PolarHBondContact O-N 2.74Å; L547-L550 PolarHBondContact O-N 3.13Å; L547-K551 WeakPolarHBondContact O-CB 3.31Å; L547-K551 PolarHBondContact O-N 3.34Å; L547-L565 HydrophobicContact CB-CD2 4.22Å; L547-L565 HydrophobicContact CD2-CD2 4.23Å; L547-L568 HydrophobicContact CB-CD1 3.59Å; L547-L568 HydrophobicContact CD1-CD1 3.91Å; L547-L568 HydrophobicContact CG-CD1 4.36Å
548	L	85.3	Confident	85.3	Confident	12 Å²	12	44.5 Å²	44.5	6%	0.063	23%	0.232	C	C	.	.	H	α-helix	trans	-65.8	-47.1	173.3	-68.6	166.4	0	0	0	111	E544 S545 L550 K551 H552 L568 S570	E544-L548 HydrophobicContact CG-CD1 4.37Å; E544-L548 WeakPolarHBondContact O-CG 3.48Å; E544-L548 PolarHBondContact O-N 2.95Å; S545-L548 PolarHBondContact O-N 3.13Å; L548-L550 PolarHBondContact O-N 2.94Å; L548-K551 WeakPolarHBondContact O-CB 3.41Å; L548-K551 PolarHBondContact O-N 3.23Å; L548-K551 VanDerWaalsContact O-N 3.12Å; L548-H552 PolarHBondContact O-CD2 3.38Å; L548-H552 PolarHBondContact O-N 3.44Å; L548-L568 HydrophobicContact CD2-CB 4.15Å; L548-L568 WeakPolarHBondContact CD2-O 3.47Å; L548-S570 VanDerWaalsContact CD1-CB 3.48Å
549	D	84.1	Confident	84.9	Confident	7 Å²	7	45.9 Å²	45.9	4%	0.037	24%	0.238	C	C	.	.	H	α-helix	trans	-54	-42.4	174.1	-71.6	-7.2	0	0	0	111.4	I515 S545 L553 G589 L590 G591 H592	I515-D549 HydrophobicContact CB-CB 3.87Å; I515-D549 HydrophobicContact CD1-CB 4.3Å; I515-D549 HydrophobicContact CG1-CB 4.02Å; I515-D549 HydrophobicContact CG2-CB 4.15Å; S545-D549 VanDerWaalsContact O-CG 3.23Å; S545-D549 PolarHBondContact O-N 3.43Å; D549-L553 WeakPolarHBondContact O-CB 3.26Å; D549-L553 PolarHBondContact O-N 2.85Å; D549-G589 WeakPolarHBondContact OD1-CA 3.31Å; D549-G589 WeakPolarHBondContact OD2-CA 3.44Å; D549-L590 PolarHBondContact OD1-N 3.45Å; D549-G591 WeakPolarHBondContact OD1-CA 3.46Å; D549-G591 PolarHBondContact OD1-N 3.06Å; D549-H592 IonicContact OD1-CE1 2.75Å; D549-H592 IonicContact OD1-CG 2.71Å; D549-H592 IonicContact OD1-ND1 3.89Å; D549-H592 PolarHBondContact OD1-ND1 3.48Å; D549-H592 IonicContact OD2-CE1 3.57Å; D549-H592 PolarHBondContact OD2-CE1 3.14Å; D549-H592 VanDerWaalsContact OD2-CE1 3.28Å; D549-H592 IonicContact OD2-ND1 2.81Å; D549-H592 PolarHBondContact OD2-ND1 3.02Å
550	L	88.1	Confident	84.7	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-67.6	-43.1	175.8	-179.7	64.1	0	0	0	112.8	V414 M511 I515 Y518 I538 T546 L547 L548 H552 L553 L554 L565	V414-L550 HydrophobicContact CG1-CD2 4.16Å; V414-L550 HydrophobicContact CG2-CD2 4.21Å; M511-L550 HydrophobicContact CE-CB 4.13Å; M511-L550 HydrophobicContact CE-CD1 4.37Å; M511-L550 HydrophobicContact CE-CD2 3.97Å; M511-L550 HydrophobicContact CE-CG 4.39Å; M511-L550 HydrophobicContact SD-CD2 4.06Å; I515-L550 HydrophobicContact CD1-CB 4.02Å; I515-L550 HydrophobicContact CD1-CD1 4.16Å; Y518-L550 HydrophobicContact CD1-CD1 4.09Å; Y518-L550 HydrophobicContact CD2-CD1 4.37Å; Y518-L550 HydrophobicContact CE1-CD1 3.57Å; Y518-L550 HydrophobicContact CE2-CD1 3.85Å; Y518-L550 HydrophobicContact CG-CD1 4.48Å; Y518-L550 VanDerWaalsContact CZ-CD1 3.44Å; I538-L550 HydrophobicContact CD1-CD2 3.42Å; I538-L550 VanDerWaalsContact CD1-CD2 3.42Å; T546-L550 WeakPolarHBondContact O-CB 3.3Å; T546-L550 PolarHBondContact O-N 3.41Å; L547-L550 PolarHBondContact O-N 3.13Å; L548-L550 PolarHBondContact O-N 2.94Å; L550-H552 PolarHBondContact O-N 3.39Å; L550-L553 PolarHBondContact O-N 2.97Å; L550-L554 HydrophobicContact CD1-CD1 4.39Å; L550-L554 HydrophobicContact CD1-CG 4.15Å; L550-L554 HydrophobicContact CG-CD1 4.14Å; L550-L554 HydrophobicContact CG-CG 4.35Å; L550-L554 WeakPolarHBondContact O-CG 3.12Å; L550-L554 PolarHBondContact O-N 3.16Å; L550-L565 HydrophobicContact CD2-CD1 4.16Å; L550-L565 HydrophobicContact CG-CD1 4.34Å
551	K	86.6	Confident	84.7	Confident	12 Å²	12	42.3 Å²	42.3	5%	0.052	23%	0.234	C	C	.	.	H	α-helix	trans	-53.4	-52.8	175.4	-178.6	-164.4	-171.1	174.8	0	110.5	L547 L548 L553 L554 I555 V561 L565 V566 L568 E573	L547-K551 WeakPolarHBondContact O-CB 3.31Å; L547-K551 PolarHBondContact O-N 3.34Å; L548-K551 WeakPolarHBondContact O-CB 3.41Å; L548-K551 PolarHBondContact O-N 3.23Å; L548-K551 VanDerWaalsContact O-N 3.12Å; K551-L553 VanDerWaalsContact C-N 3.34Å; K551-L553 PolarHBondContact O-N 3Å; K551-L554 PolarHBondContact O-N 2.87Å; K551-I555 HydrophobicContact CG-CD1 4.05Å; K551-I555 VanDerWaalsContact O-CG1 3.3Å; K551-I555 WeakPolarHBondContact O-CG1 3.49Å; K551-I555 PolarHBondContact O-N 3.02Å; K551-V561 HydrophobicContact CG-CG1 4.37Å; K551-L565 WeakPolarHBondContact CD-O 3.41Å; K551-L565 WeakPolarHBondContact CE-O 3.37Å; K551-V566 PolarHBondContact NZ-O 3.02Å; K551-V566 VanDerWaalsContact NZ-O 3.15Å; K551-L568 PolarHBondContact NZ-O 3.48Å; K551-E573 IonicContact NZ-OE1 2.74Å; K551-E573 PolarHBondContact NZ-OE1 3.37Å
552	H	82.6	Confident	84.8	Confident	43 Å²	43	38.8 Å²	38.8	20%	0.199	21%	0.208	C	C	.	.	H	α-helix	trans	-65.3	-37.3	-179.7	-72.7	-75.3	0	0	0	112.3	L548 L550 I555 E556 L576 L590 G591	L548-H552 PolarHBondContact O-CD2 3.38Å; L548-H552 PolarHBondContact O-N 3.44Å; L550-H552 PolarHBondContact O-N 3.39Å; H552-I555 PolarHBondContact O-N 2.99Å; H552-E556 VanDerWaalsContact O-CB 3.29Å; H552-E556 WeakPolarHBondContact O-CB 3.49Å; H552-E556 PolarHBondContact O-N 2.93Å; H552-L576 VanDerWaalsContact NE2-CD1 3.25Å; H552-L576 WeakPolarHBondContact NE2-CD1 3.32Å; H552-L590 HydrophobicContact CB-CB 3.71Å; H552-G591 VanDerWaalsContact CD2-CA 3.41Å; H552-G591 WeakPolarHBondContact CD2-CA 3.34Å
553	L	83.4	Confident	84.8	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.016	24%	0.237	C	C	.	.	H	α-helix	trans	-63.5	-42.3	174.9	-172.3	150.3	0	0	0	112.8	A406 Q412 I515 Y518 V519 D549 L550 K551 E556 A557 L590	A406-L553 HydrophobicContact CB-CD2 4.29Å; Q412-L553 VanDerWaalsContact OE1-CD2 3.27Å; I515-L553 HydrophobicContact CD1-CB 4.42Å; I515-L553 HydrophobicContact CD1-CD1 3.89Å; I515-L553 HydrophobicContact CG1-CD1 3.71Å; Y518-L553 HydrophobicContact CD1-CD1 4.45Å; Y518-L553 HydrophobicContact CE1-CD2 3.95Å; V519-L553 HydrophobicContact CG2-CD1 3.45Å; V519-L553 VanDerWaalsContact CG2-CD1 3.45Å; D549-L553 WeakPolarHBondContact O-CB 3.26Å; D549-L553 PolarHBondContact O-N 2.85Å; L550-L553 PolarHBondContact O-N 2.97Å; K551-L553 VanDerWaalsContact C-N 3.34Å; K551-L553 PolarHBondContact O-N 3Å; L553-E556 PolarHBondContact O-N 3.13Å; L553-A557 VanDerWaalsContact O-CB 3.28Å; L553-A557 WeakPolarHBondContact O-CB 3.12Å; L553-A557 PolarHBondContact O-N 2.92Å; L553-L590 HydrophobicContact CB-CD1 4.14Å
554	L	87	Confident	84.7	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-65.3	-44.1	177.2	-69.2	171.5	0	0	0	111.6	Q412 V414 L550 K551 E556 A557 N558 Q559 V561 L565	Q412-L554 HydrophobicContact CB-CD2 3.71Å; V414-L554 HydrophobicContact CG2-CD1 3.93Å; V414-L554 HydrophobicContact CG2-CD2 4.27Å; L550-L554 HydrophobicContact CD1-CD1 4.39Å; L550-L554 HydrophobicContact CD1-CG 4.15Å; L550-L554 HydrophobicContact CG-CD1 4.14Å; L550-L554 HydrophobicContact CG-CG 4.35Å; L550-L554 WeakPolarHBondContact O-CG 3.12Å; L550-L554 PolarHBondContact O-N 3.16Å; K551-L554 PolarHBondContact O-N 2.87Å; L554-E556 VanDerWaalsContact C-N 3.34Å; L554-E556 PolarHBondContact O-N 3.34Å; L554-A557 CarbonylContact O-C 3.5Å; L554-A557 PolarHBondContact O-N 3Å; L554-N558 PolarHBondContact O-N 2.92Å; L554-N558 VanDerWaalsContact O-N 3.11Å; L554-Q559 HydrophobicContact CB-CB 4.24Å; L554-Q559 HydrophobicContact CD2-CB 3.8Å; L554-Q559 HydrophobicContact CD2-CG 4.26Å; L554-Q559 PolarHBondContact O-N 2.9Å; L554-V561 HydrophobicContact CB-CG2 3.96Å; L554-L565 HydrophobicContact CD1-CD1 3.84Å
555	I	84.1	Confident	84.7	Confident	93 Å²	93	39.3 Å²	39.3	48%	0.477	21%	0.206	S	C	.	.	H	α-helix	trans	-58.8	-47.2	174.4	-66.1	167.7	0	0	0	110	K551 H552 A557 N558 V561	K551-I555 HydrophobicContact CG-CD1 4.05Å; K551-I555 VanDerWaalsContact O-CG1 3.3Å; K551-I555 WeakPolarHBondContact O-CG1 3.49Å; K551-I555 PolarHBondContact O-N 3.02Å; H552-I555 PolarHBondContact O-N 2.99Å; I555-A557 PolarHBondContact O-N 2.9Å; I555-N558 PolarHBondContact O-N 3.2Å; I555-N558 VanDerWaalsContact O-N 3.13Å; I555-V561 HydrophobicContact CG1-CG2 3.72Å
556	E	74.9	Confident	84.8	Confident	56 Å²	56	42.4 Å²	42.4	26%	0.262	22%	0.224	S	C	.	.	H	α-helix	trans	-63.9	-39.3	179.4	175.4	165.5	-141.8	0	0	113.1	R402 H552 L553 L554 N558 L590	R402-E556 WeakPolarHBondContact CB-OE1 3.38Å; R402-E556 WeakPolarHBondContact CD-OE1 3.39Å; R402-E556 IonicContact NE-OE1 3.25Å; R402-E556 IonicContact NH1-OE1 3.44Å; R402-E556 PolarHBondContact NH1-OE1 3.43Å; H552-E556 VanDerWaalsContact O-CB 3.29Å; H552-E556 WeakPolarHBondContact O-CB 3.49Å; H552-E556 PolarHBondContact O-N 2.93Å; L553-E556 PolarHBondContact O-N 3.13Å; L554-E556 VanDerWaalsContact C-N 3.34Å; L554-E556 PolarHBondContact O-N 3.34Å; E556-N558 PolarHBondContact O-N 3.38Å; E556-L590 WeakPolarHBondContact OE2-CD1 3.41Å
557	A	77.3	Confident	84.5	Confident	3 Å²	3	50 Å²	50	3%	0.025	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	4.3	176.4	0	0	0	0	0	113.5	A406 L553 L554 I555 Q559	A406-A557 HydrophobicContact CB-CB 4.42Å; L553-A557 VanDerWaalsContact O-CB 3.28Å; L553-A557 WeakPolarHBondContact O-CB 3.12Å; L553-A557 PolarHBondContact O-N 2.92Å; L554-A557 CarbonylContact O-C 3.5Å; L554-A557 PolarHBondContact O-N 3Å; I555-A557 PolarHBondContact O-N 2.9Å; A557-Q559 VanDerWaalsContact C-N 3.3Å; A557-Q559 HydrophobicContact CB-CG 3.75Å; A557-Q559 PolarHBondContact O-N 3.13Å; A557-Q559 PolarHBondContact O-NE2 2.78Å
558	N	81.4	Confident	83.9	Confident	142 Å²	142	50.9 Å²	50.9	76%	0.759	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	47.3	-176.6	-165.7	74.1	0	0	0	112.7	L554 I555 E556	L554-N558 PolarHBondContact O-N 2.92Å; L554-N558 VanDerWaalsContact O-N 3.11Å; I555-N558 PolarHBondContact O-N 3.2Å; I555-N558 VanDerWaalsContact O-N 3.13Å; E556-N558 PolarHBondContact O-N 3.38Å
559	Q	86.3	Confident	82.8	Confident	31 Å²	31	53.5 Å²	53.5	15%	0.145	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-101.7	156.9	179.5	-59.8	-60	-59.6	0	0	110.9	Q412 L554 A557 V561	Q412-Q559 HydrophobicContact CB-CB 4.43Å; Q412-Q559 HydrophobicContact CB-CG 4.07Å; Q412-Q559 HydrophobicContact CG-CG 4.48Å; L554-Q559 HydrophobicContact CB-CB 4.24Å; L554-Q559 HydrophobicContact CD2-CB 3.8Å; L554-Q559 HydrophobicContact CD2-CG 4.26Å; L554-Q559 PolarHBondContact O-N 2.9Å; A557-Q559 VanDerWaalsContact C-N 3.3Å; A557-Q559 HydrophobicContact CB-CG 3.75Å; A557-Q559 PolarHBondContact O-N 3.13Å; A557-Q559 PolarHBondContact O-NE2 2.78Å; Q559-V561 PolarHBondContact O-N 2.8Å
560	P	86.4	Confident	81.6	Confident	89 Å²	89	53.9 Å²	53.9	58%	0.578	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-61.5	122.2	172.3	26.2	-34.4	0	0	0	110.5
561	V	88.4	Confident	80.1	Confident	38 Å²	38	58.8 Å²	58.8	23%	0.23	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-94.6	118.1	174.4	-172.4	0	0	0	0	108.1	K551 L554 I555 Q559 L565 V566	K551-V561 HydrophobicContact CG-CG1 4.37Å; L554-V561 HydrophobicContact CB-CG2 3.96Å; I555-V561 HydrophobicContact CG1-CG2 3.72Å; Q559-V561 PolarHBondContact O-N 2.8Å; V561-L565 HydrophobicContact CG1-CB 3.78Å; V561-V566 HydrophobicContact CB-CG2 4.04Å; V561-V566 HydrophobicContact CG1-CG2 3.69Å
562	P	89.4	Confident	78.6	Confident	26 Å²	26	59 Å²	59	17%	0.169	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-60.6	146.4	175.6	-22.7	33	0	0	0	112.1	V414 F564 L565 V566	V414-P562 HydrophobicContact CB-CG 3.9Å; V414-P562 HydrophobicContact CG1-CG 4.32Å; V414-P562 WeakPolarHBondContact O-CG 3.3Å; P562-F564 HydrophobicContact CB-CD1 3.6Å; P562-F564 HydrophobicContact CB-CE1 3.25Å; P562-F564 HydrophobicContact CB-CG 4.39Å; P562-F564 HydrophobicContact CB-CZ 3.82Å; P562-F564 HydrophobicContact CG-CE1 3.92Å; P562-F564 HydrophobicContact CG-CZ 4.06Å; P562-F564 PolarHBondContact O-N 3.17Å; P562-F564 VanDerWaalsContact O-N 3.13Å; P562-L565 WeakPolarHBondContact O-CA 3.28Å; P562-L565 PolarHBondContact O-N 2.73Å; P562-V566 PolarHBondContact O-N 2.66Å; P562-V566 VanDerWaalsContact O-N 3.11Å
563	E	86.6	Confident	77.4	Confident	163 Å²	163	60.2 Å²	60.2	76%	0.762	34%	0.339	S	S	*	.	H	α-helix	trans	-50.6	-42.5	-178	-63.2	178.4	160.2	0	0	112.6	L565 V566 E567	E563-L565 PolarHBondContact O-N 2.71Å; E563-V566 WeakPolarHBondContact O-CA 3.47Å; E563-V566 WeakPolarHBondContact O-CB 3.45Å; E563-V566 PolarHBondContact O-N 2.91Å; E563-E567 PolarHBondContact O-N 3.49Å
564	F	85.8	Confident	76.2	Confident	63 Å²	63	66.7 Å²	66.7	28%	0.276	38%	0.378	S	S	.	.	H	α-helix	trans	-66.1	-18.4	178.4	70.3	-96.3	0	0	0	114.6	V414 I538 P562 L568	V414-F564 HydrophobicContact CG1-CZ 4.17Å; I538-F564 HydrophobicContact CG2-CE2 4.25Å; P562-F564 HydrophobicContact CB-CD1 3.6Å; P562-F564 HydrophobicContact CB-CE1 3.25Å; P562-F564 HydrophobicContact CB-CG 4.39Å; P562-F564 HydrophobicContact CB-CZ 3.82Å; P562-F564 HydrophobicContact CG-CE1 3.92Å; P562-F564 HydrophobicContact CG-CZ 4.06Å; P562-F564 PolarHBondContact O-N 3.17Å; P562-F564 VanDerWaalsContact O-N 3.13Å; F564-L568 WeakPolarHBondContact O-CG 3.44Å
565	L	85.6	Confident	74.8	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-90.8	-26.1	168.4	-66.1	-169.7	0	0	0	112	V414 L547 L550 K551 L554 V561 P562 E563 L568	V414-L565 HydrophobicContact CG1-CD1 4.11Å; L547-L565 HydrophobicContact CB-CD2 4.22Å; L547-L565 HydrophobicContact CD2-CD2 4.23Å; L550-L565 HydrophobicContact CD2-CD1 4.16Å; L550-L565 HydrophobicContact CG-CD1 4.34Å; K551-L565 WeakPolarHBondContact CD-O 3.41Å; K551-L565 WeakPolarHBondContact CE-O 3.37Å; L554-L565 HydrophobicContact CD1-CD1 3.84Å; V561-L565 HydrophobicContact CG1-CB 3.78Å; P562-L565 WeakPolarHBondContact O-CA 3.28Å; P562-L565 PolarHBondContact O-N 2.73Å; E563-L565 PolarHBondContact O-N 2.71Å; L565-L568 HydrophobicContact CD2-CD1 3.7Å; L565-L568 PolarHBondContact O-N 3.47Å
566	V	83.5	Confident	73.3	Confident	84 Å²	84	64.5 Å²	64.5	51%	0.509	37%	0.366	S	S	.	.	H	α-helix	trans	-66.6	-44.4	172.4	-178	0	0	0	0	110.2	K551 V561 P562 E563 L568	K551-V566 PolarHBondContact NZ-O 3.02Å; K551-V566 VanDerWaalsContact NZ-O 3.15Å; V561-V566 HydrophobicContact CB-CG2 4.04Å; V561-V566 HydrophobicContact CG1-CG2 3.69Å; P562-V566 PolarHBondContact O-N 2.66Å; P562-V566 VanDerWaalsContact O-N 3.11Å; E563-V566 WeakPolarHBondContact O-CA 3.47Å; E563-V566 WeakPolarHBondContact O-CB 3.45Å; E563-V566 PolarHBondContact O-N 2.91Å; V566-L568 PolarHBondContact O-N 2.73Å
567	E	80.6	Confident	72.3	Confident	165 Å²	165	69.4 Å²	69.4	77%	0.771	39%	0.389	S	S	*	.	S	Bend	trans	-63.1	-21.5	176.9	-71.8	-174.4	165.2	0	0	114.3	E563 A569	E563-E567 PolarHBondContact O-N 3.49Å; E567-A569 PolarHBondContact O-N 3.05Å
568	L	74.7	Confident	71.1	Confident	38 Å²	38	70.3 Å²	70.3	20%	0.199	39%	0.393	C	S	.	.			trans	-71	81.2	171.3	-71.7	173.3	0	0	0	110	E544 L547 L548 K551 F564 L565 V566	E544-L568 HydrophobicContact CG-CD2 4.34Å; L547-L568 HydrophobicContact CB-CD1 3.59Å; L547-L568 HydrophobicContact CD1-CD1 3.91Å; L547-L568 HydrophobicContact CG-CD1 4.36Å; L548-L568 HydrophobicContact CD2-CB 4.15Å; L548-L568 WeakPolarHBondContact CD2-O 3.47Å; K551-L568 PolarHBondContact NZ-O 3.48Å; F564-L568 WeakPolarHBondContact O-CG 3.44Å; L565-L568 HydrophobicContact CD2-CD1 3.7Å; L565-L568 PolarHBondContact O-N 3.47Å; V566-L568 PolarHBondContact O-N 2.73Å
569	A	62.2	Low	69.5	Low	68 Å²	68	65.9 Å²	65.9	56%	0.562	38%	0.381	S	S	*	.			trans	-85.3	111.4	167.9	0	0	0	0	0	109	E567	E567-A569 PolarHBondContact O-N 3.05Å
570	S	59	Low	67.9	Low	14 Å²	14	67.9 Å²	67.9	10%	0.098	41%	0.409	C	S	.	.			trans	-70.7	144.3	169.3	90.2	0	0	0	0	109.6	L548 T572 E573	L548-S570 VanDerWaalsContact CD1-CB 3.48Å; S570-T572 PolarHBondContact O-N 3.47Å; S570-T572 VanDerWaalsContact OG-C 3.32Å; S570-T572 WeakPolarHBondContact OG-CA 3.5Å; S570-T572 WeakPolarHBondContact OG-CB 3.36Å; S570-T572 PolarHBondContact OG-N 2.97Å; S570-E573 PolarHBondContact O-N 3.1Å; S570-E573 VanDerWaalsContact O-N 3.17Å; S570-E573 PolarHBondContact OG-N 3.35Å
571	A	56	Low	66.3	Low	103 Å²	103	68.2 Å²	68.2	85%	0.851	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-8.8	167	0	0	0	0	0	113
572	T	55.8	Low	65	Low	18 Å²	18	71 Å²	71	11%	0.11	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-3.5	-174.4	-30.3	0	0	0	0	112.5	S570 V574 E575 L576 R593	S570-T572 PolarHBondContact O-N 3.47Å; S570-T572 VanDerWaalsContact OG-C 3.32Å; S570-T572 WeakPolarHBondContact OG-CA 3.5Å; S570-T572 WeakPolarHBondContact OG-CB 3.36Å; S570-T572 PolarHBondContact OG-N 2.97Å; T572-V574 PolarHBondContact O-N 3.44Å; T572-E575 HydrophobicContact CG2-CB 3.78Å; T572-E575 HydrophobicContact CG2-CG 4.39Å; T572-E575 CarbonylContact O-C 3.53Å; T572-E575 VanDerWaalsContact O-CA 3.26Å; T572-E575 WeakPolarHBondContact O-CA 3.37Å; T572-E575 VanDerWaalsContact O-CB 3.25Å; T572-E575 WeakPolarHBondContact O-CB 2.96Å; T572-E575 PolarHBondContact O-N 3.3Å; T572-L576 WeakPolarHBondContact O-CG 3.41Å; T572-L576 PolarHBondContact O-N 2.93Å; T572-R593 HydrophobicContact CG2-CB 4.38Å; T572-R593 HydrophobicContact CG2-CG 3.99Å
573	E	57.2	Low	63.9	Low	68 Å²	68	70.2 Å²	70.2	32%	0.318	42%	0.417	S	S	.	.	H	α-helix	trans	-58.8	-45.3	-174	-79.8	-170.7	169.1	0	0	112.5	K551 S570 E575 L576	K551-E573 IonicContact NZ-OE1 2.74Å; K551-E573 PolarHBondContact NZ-OE1 3.37Å; S570-E573 PolarHBondContact O-N 3.1Å; S570-E573 VanDerWaalsContact O-N 3.17Å; S570-E573 PolarHBondContact OG-N 3.35Å; E573-E575 PolarHBondContact O-N 2.99Å; E573-L576 PolarHBondContact O-N 3.12Å
574	V	56.9	Low	63.1	Low	139 Å²	139	62.7 Å²	62.7	84%	0.842	38%	0.382	S	S	*	.	H	α-helix	trans	-62.4	-24.3	173.4	-174.9	0	0	0	0	111.8	T572	T572-V574 PolarHBondContact O-N 3.44Å
575	E	58	Low	62.1	Low	42 Å²	42	60.5 Å²	60.5	20%	0.196	38%	0.376	C	S	.	.	H	α-helix	trans	-85.6	-27.9	178.4	-53.8	-167.6	-175.7	0	0	112.6	K110 T572 E573 E577 M578 R593	K110-E575 VanDerWaalsContact NZ-CD 3.34Å; K110-E575 IonicContact NZ-OE1 3.75Å; K110-E575 PolarHBondContact NZ-OE1 2.7Å; K110-E575 IonicContact NZ-OE2 2.75Å; T572-E575 HydrophobicContact CG2-CB 3.78Å; T572-E575 HydrophobicContact CG2-CG 4.39Å; T572-E575 CarbonylContact O-C 3.53Å; T572-E575 VanDerWaalsContact O-CA 3.26Å; T572-E575 WeakPolarHBondContact O-CA 3.37Å; T572-E575 VanDerWaalsContact O-CB 3.25Å; T572-E575 WeakPolarHBondContact O-CB 2.96Å; T572-E575 PolarHBondContact O-N 3.3Å; E573-E575 PolarHBondContact O-N 2.99Å; E575-E577 PolarHBondContact O-N 2.86Å; E575-E577 VanDerWaalsContact O-N 3.08Å; E575-M578 HydrophobicContact CB-CE 3.94Å; E575-M578 HydrophobicContact CB-SD 4.5Å; E575-M578 HydrophobicContact CG-CE 4.3Å; E575-M578 WeakPolarHBondContact O-CB 3.4Å; E575-M578 WeakPolarHBondContact O-CG 3.22Å; E575-M578 PolarHBondContact O-N 3.02Å; E575-R593 PolarHBondContact O-NE 2.97Å; E575-R593 PolarHBondContact O-NH2 3.27Å
576	L	54.2	Low	61.1	Low	5 Å²	5	61.7 Å²	61.7	3%	0.026	38%	0.38	C	S	.	.	H	α-helix	trans	-55.9	-32.2	-173.7	-72.5	173.1	0	0	0	113.1	H552 T572 E573 R593	H552-L576 VanDerWaalsContact NE2-CD1 3.25Å; H552-L576 WeakPolarHBondContact NE2-CD1 3.32Å; T572-L576 WeakPolarHBondContact O-CG 3.41Å; T572-L576 PolarHBondContact O-N 2.93Å; E573-L576 PolarHBondContact O-N 3.12Å; L576-R593 HydrophobicContact CD2-CG 4.35Å; L576-R593 PolarHBondContact O-NH2 3.13Å
577	E	52.1	Low	60.2	Low	158 Å²	158	58.1 Å²	58.1	74%	0.738	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-4.9	177.2	-58.9	-170.3	157.6	0	0	115	E575 G579	E575-E577 PolarHBondContact O-N 2.86Å; E575-E577 VanDerWaalsContact O-N 3.08Å; E577-G579 PolarHBondContact O-N 3.34Å
578	M	52.4	Low	59.4	Low	23 Å²	23	51.5 Å²	51.5	11%	0.113	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	108.1	-176.9	-65.7	-168.8	-44.1	0	0	112.7	R107 K110 E575 R593	R107-M578 HydrophobicContact CB-SD 3.83Å; R107-M578 HydrophobicContact CG-CB 4.43Å; R107-M578 HydrophobicContact CG-CG 4.25Å; R107-M578 HydrophobicContact CG-SD 3.64Å; K110-M578 HydrophobicContact CB-CE 4.32Å; K110-M578 HydrophobicContact CD-CE 4.22Å; E575-M578 HydrophobicContact CB-CE 3.94Å; E575-M578 HydrophobicContact CB-SD 4.5Å; E575-M578 HydrophobicContact CG-CE 4.3Å; E575-M578 WeakPolarHBondContact O-CB 3.4Å; E575-M578 WeakPolarHBondContact O-CG 3.22Å; E575-M578 PolarHBondContact O-N 3.02Å; M578-R593 PolarHBondContact O-NH2 3.07Å
579	G	48.9	Very low	59	Low	49 Å²	49	49.8 Å²	49.8	51%	0.505	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	108.2	-0.6	167.1	0	0	0	0	0	115.1	E577 E581	E577-G579 PolarHBondContact O-N 3.34Å; G579-E581 PolarHBondContact O-N 3.21Å
580	G	51.6	Low	59.3	Low	72 Å²	72	47.7 Å²	47.7	74%	0.742	31%	0.306	S	S	*	.	S	Bend	trans	84.4	-13.7	178	0	0	0	0	0	114.8
581	E	52.8	Low	59.8	Low	97 Å²	97	47 Å²	47	45%	0.453	30%	0.301	S	S	.	.			trans	-86.3	120.1	163	-64.9	-178.4	-178.9	0	0	107.9	K382 G579	K382-E581 VanDerWaalsContact NZ-CD 3.28Å; K382-E581 IonicContact NZ-OE1 3.52Å; K382-E581 PolarHBondContact NZ-OE1 3.23Å; K382-E581 IonicContact NZ-OE2 3.27Å; K382-E581 PolarHBondContact NZ-OE2 3.43Å; G579-E581 PolarHBondContact O-N 3.21Å
582	V	62.6	Low	60.6	Low	97 Å²	97	42.5 Å²	42.5	59%	0.588	26%	0.263	S	S	*	.			trans	-92.1	128.3	175.4	-179.9	0	0	0	0	109.3
583	G	66.4	Low	61.5	Low	9 Å²	9	42 Å²	42	9%	0.093	26%	0.259	C	S	.	.	S	Bend	trans	86	-164	176.9	0	0	0	0	0	115.4	A585 G589 H592	G583-A585 PolarHBondContact O-N 2.92Å; G583-G589 CarbonylContact C-O 3.52Å; G583-G589 VanDerWaalsContact CA-O 3.22Å; G583-G589 WeakPolarHBondContact CA-O 3.19Å; G583-H592 CarbonylContact C-O 3.53Å; G583-H592 VanDerWaalsContact C-O 3.29Å
584	C	68.3	Low	62.4	Low	4 Å²	4	39 Å²	39	3%	0.027	25%	0.245	C	C	.	.			trans	-84.3	112.6	-171.5	179.2	0	0	0	0	111.9	Y586 C587 G588 G589 H592 C597	C584-Y586 PolarHBondContact O-N 3.35Å; C584-Y586 PolarHBondContact SG-N 3.22Å; C584-C587 PolarHBondContact SG-SG 3.13Å; C584-G588 WeakPolarHBondContact O-CA 3.33Å; C584-G588 PolarHBondContact O-N 3.28Å; C584-G589 PolarHBondContact N-O 2.97Å; C584-H592 WeakPolarHBondContact CA-O 3.25Å; C584-H592 WeakPolarHBondContact CB-O 3.46Å; C584-H592 PolarHBondContact N-O 3.02Å; C584-C597 VanDerWaalsContact SG-CB 3.6Å; C584-C597 PolarHBondContact SG-SG 2.89Å
585	A	65.2	Low	63.3	Low	18 Å²	18	34.9 Å²	34.9	15%	0.149	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-27.2	175.8	0	0	0	0	0	114.5	L118 K382 G583	L118-A585 HydrophobicContact CD2-CB 4.06Å; K382-A585 HydrophobicContact CB-CB 4.4Å; K382-A585 WeakPolarHBondContact CB-O 3.5Å; K382-A585 HydrophobicContact CD-CB 4.34Å; K382-A585 PolarHBondContact N-O 2.84Å; G583-A585 PolarHBondContact O-N 2.92Å
586	Y	65.3	Low	64	Low	24 Å²	24	38.5 Å²	38.5	9%	0.094	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-50.4	-177.5	-179.7	-108.4	0	0	0	113.8	V121 P381 C584 K599 L600 M603	V121-Y586 HydrophobicContact CG1-CD2 3.8Å; V121-Y586 HydrophobicContact CG1-CE2 3.44Å; V121-Y586 VanDerWaalsContact CG1-CE2 3.44Å; P381-Y586 WeakPolarHBondContact CB-O 3.37Å; C584-Y586 PolarHBondContact O-N 3.35Å; C584-Y586 PolarHBondContact SG-N 3.22Å; Y586-K599 HydrophobicContact CD1-CB 4.1Å; Y586-K599 HydrophobicContact CE1-CB 3.78Å; Y586-L600 HydrophobicContact CD1-CB 3.71Å; Y586-L600 HydrophobicContact CE1-CB 3.9Å; Y586-L600 HydrophobicContact CE1-CD1 4.36Å; Y586-L600 HydrophobicContact CE2-CD1 4.44Å; Y586-L600 HydrophobicContact CG-CB 4.31Å; Y586-M603 PolarHBondContact OH-SD 3.2Å
587	C	63.6	Low	65.1	Low	9 Å²	9	38.5 Å²	38.5	6%	0.061	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-11	-173.1	68.1	0	0	0	0	115.1	C584 G589 H592 K599	C584-C587 PolarHBondContact SG-SG 3.13Å; C587-G589 VanDerWaalsContact C-N 3.33Å; C587-G589 PolarHBondContact SG-N 3.4Å; C587-H592 PolarHBondContact SG-CE1 3.28Å; C587-H592 PolarHBondContact SG-NE2 3.19Å; C587-K599 HydrophobicContact CB-CB 4.05Å; C587-K599 HydrophobicContact CB-CD 3.61Å; C587-K599 HydrophobicContact CB-CG 3.9Å
588	G	64.7	Low	66.1	Low	27 Å²	27	32.8 Å²	32.8	28%	0.278	21%	0.213	S	C	.	.			trans	80.6	5.8	-175.7	0	0	0	0	0	115.4	C584	C584-G588 WeakPolarHBondContact O-CA 3.33Å; C584-G588 PolarHBondContact O-N 3.28Å
589	G	64.7	Low	67.1	Low	1 Å²	1	33.4 Å²	33.4	1%	0.01	22%	0.215	C	C	.	.			trans	-64.3	134.5	174.7	0	0	0	0	0	112.6	D549 G583 C584 C587	D549-G589 WeakPolarHBondContact OD1-CA 3.31Å; D549-G589 WeakPolarHBondContact OD2-CA 3.44Å; G583-G589 CarbonylContact C-O 3.52Å; G583-G589 VanDerWaalsContact CA-O 3.22Å; G583-G589 WeakPolarHBondContact CA-O 3.19Å; C584-G589 PolarHBondContact N-O 2.97Å; C587-G589 VanDerWaalsContact C-N 3.33Å; C587-G589 PolarHBondContact SG-N 3.4Å
590	L	69.9	Low	68.2	Low	25 Å²	25	31.4 Å²	31.4	13%	0.131	19%	0.193	C	C	.	.	S	Bend	trans	-85.2	-18	-171.3	-65.5	175.2	0	0	0	114.8	D549 H552 L553 E556	D549-L590 PolarHBondContact OD1-N 3.45Å; H552-L590 HydrophobicContact CB-CB 3.71Å; L553-L590 HydrophobicContact CB-CD1 4.14Å; E556-L590 WeakPolarHBondContact OE2-CD1 3.41Å
591	G	68.2	Low	69.5	Low	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-108.3	0.7	-171.1	0	0	0	0	0	115.7	D549 H552	D549-G591 WeakPolarHBondContact OD1-CA 3.46Å; D549-G591 PolarHBondContact OD1-N 3.06Å; H552-G591 VanDerWaalsContact CD2-CA 3.41Å; H552-G591 WeakPolarHBondContact CD2-CA 3.34Å
592	H	73.2	Confident	70.6	Confident	8 Å²	8	31 Å²	31	4%	0.037	18%	0.179	C	C	.	.	S	Bend	trans	-137.3	164.5	176.5	68.7	-82.7	0	0	0	112.1	D549 G583 C584 C587 H596	D549-H592 IonicContact OD1-CE1 2.75Å; D549-H592 IonicContact OD1-CG 2.71Å; D549-H592 IonicContact OD1-ND1 3.89Å; D549-H592 PolarHBondContact OD1-ND1 3.48Å; D549-H592 IonicContact OD2-CE1 3.57Å; D549-H592 PolarHBondContact OD2-CE1 3.14Å; D549-H592 VanDerWaalsContact OD2-CE1 3.28Å; D549-H592 IonicContact OD2-ND1 2.81Å; D549-H592 PolarHBondContact OD2-ND1 3.02Å; G583-H592 CarbonylContact C-O 3.53Å; G583-H592 VanDerWaalsContact C-O 3.29Å; C584-H592 WeakPolarHBondContact CA-O 3.25Å; C584-H592 WeakPolarHBondContact CB-O 3.46Å; C584-H592 PolarHBondContact N-O 3.02Å; C587-H592 PolarHBondContact SG-CE1 3.28Å; C587-H592 PolarHBondContact SG-NE2 3.19Å; H592-H596 PolarHBondContact CD2-O 3.02Å
593	R	75.7	Confident	71.1	Confident	7 Å²	7	30.2 Å²	30.2	3%	0.026	17%	0.17	C	C	.	.			trans	-103.8	164.7	176.4	-77.4	-177.1	156.9	-92.5	-19.4	111.3	E114 T572 E575 L576 M578 T595 H596 C597	E114-R593 VanDerWaalsContact OE1-CD 3.32Å; E114-R593 WeakPolarHBondContact OE1-CD 3.44Å; E114-R593 IonicContact OE1-CZ 2.9Å; E114-R593 IonicContact OE1-NE 2.94Å; E114-R593 IonicContact OE1-NH1 3.34Å; E114-R593 PolarHBondContact OE1-NH1 3.18Å; E114-R593 IonicContact OE2-NH1 3.42Å; E114-R593 PolarHBondContact OE2-NH1 3.37Å; T572-R593 HydrophobicContact CG2-CB 4.38Å; T572-R593 HydrophobicContact CG2-CG 3.99Å; E575-R593 PolarHBondContact O-NE 2.97Å; E575-R593 PolarHBondContact O-NH2 3.27Å; L576-R593 HydrophobicContact CD2-CG 4.35Å; L576-R593 PolarHBondContact O-NH2 3.13Å; M578-R593 PolarHBondContact O-NH2 3.07Å; R593-T595 PolarHBondContact O-N 2.98Å; R593-T595 VanDerWaalsContact O-N 3.15Å; R593-H596 CarbonylContact O-C 3.56Å; R593-H596 PolarHBondContact O-N 3.36Å; R593-C597 PolarHBondContact O-N 2.87Å
594	I	75.7	Confident	71.5	Confident	5 Å²	5	34.3 Å²	34.3	3%	0.026	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-58.3	-29.6	-178.7	-172.7	172.9	0	0	0	113.3	E114 I117 L118 H596 C597 L600	E114-I594 HydrophobicContact CB-CG2 3.64Å; E114-I594 HydrophobicContact CG-CG2 3.54Å; I117-I594 HydrophobicContact CG2-CD1 4Å; I117-I594 HydrophobicContact CG2-CG1 4.05Å; L118-I594 HydrophobicContact CB-CD1 3.79Å; L118-I594 HydrophobicContact CD1-CD1 3.82Å; L118-I594 HydrophobicContact CG-CD1 4.28Å; I594-H596 PolarHBondContact O-N 3.33Å; I594-C597 WeakPolarHBondContact O-CB 3.43Å; I594-C597 PolarHBondContact O-N 2.94Å; I594-L600 HydrophobicContact CG1-CD2 3.92Å
595	T	75	Confident	71.8	Confident	52 Å²	52	38.1 Å²	38.1	32%	0.319	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-61.3	-27.8	174.2	46.6	0	0	0	0	113.8	E114 I117 R593	E114-T595 HydrophobicContact CG-CG2 4.01Å; I117-T595 HydrophobicContact CD1-CG2 3.99Å; R593-T595 PolarHBondContact O-N 2.98Å; R593-T595 VanDerWaalsContact O-N 3.15Å
596	H	73.9	Confident	72.1	Confident	118 Å²	118	44 Å²	44	55%	0.546	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-120.8	36	-178.9	-57.2	115.4	0	0	0	111	H592 R593 I594 P598	H592-H596 PolarHBondContact CD2-O 3.02Å; R593-H596 CarbonylContact O-C 3.56Å; R593-H596 PolarHBondContact O-N 3.36Å; I594-H596 PolarHBondContact O-N 3.33Å; H596-P598 WeakPolarHBondContact O-CD 3.47Å
597	C	76	Confident	72.1	Confident	5 Å²	5	45 Å²	45	3%	0.034	24%	0.242	C	C	.	.			trans	-89.5	116.1	-174.4	-177.2	0	0	0	0	113.2	C584 R593 I594 K599 L600 E601	C584-C597 VanDerWaalsContact SG-CB 3.6Å; C584-C597 PolarHBondContact SG-SG 2.89Å; R593-C597 PolarHBondContact O-N 2.87Å; I594-C597 WeakPolarHBondContact O-CB 3.43Å; I594-C597 PolarHBondContact O-N 2.94Å; C597-K599 PolarHBondContact O-N 3.27Å; C597-L600 HydrophobicContact CB-CB 3.88Å; C597-L600 WeakPolarHBondContact O-CB 3.29Å; C597-L600 PolarHBondContact O-N 3.3Å; C597-L600 VanDerWaalsContact O-N 3.08Å; C597-E601 PolarHBondContact O-N 2.94Å
598	P	74.7	Confident	72.3	Confident	38 Å²	38	47.5 Å²	47.5	25%	0.247	26%	0.263	C	S	.	.	H	α-helix	trans	-65.8	-37.3	-178.4	26.5	-35.1	0	0	0	112.5	H596 L600 E601 A602	H596-P598 WeakPolarHBondContact O-CD 3.47Å; P598-L600 VanDerWaalsContact C-N 3.27Å; P598-L600 PolarHBondContact O-N 2.89Å; P598-E601 PolarHBondContact O-N 2.64Å; P598-A602 WeakPolarHBondContact O-CB 3.28Å; P598-A602 PolarHBondContact O-N 3.46Å
599	K	72	Confident	72.5	Confident	36 Å²	36	51.1 Å²	51.1	16%	0.157	28%	0.275	C	S	.	.	H	α-helix	trans	-59.2	-38.9	173.1	-73.7	-158.2	-172	173.1	0	111.4	D353 D514 E516 Y586 C587 C597 M603	D353-K599 IonicContact OD2-NZ 3.45Å; D353-K599 PolarHBondContact OD2-NZ 3.26Å; D514-K599 WeakPolarHBondContact OD1-CE 3.47Å; E516-K599 IonicContact OE2-NZ 3.18Å; E516-K599 PolarHBondContact OE2-NZ 3.08Å; Y586-K599 HydrophobicContact CD1-CB 4.1Å; Y586-K599 HydrophobicContact CE1-CB 3.78Å; C587-K599 HydrophobicContact CB-CB 4.05Å; C587-K599 HydrophobicContact CB-CD 3.61Å; C587-K599 HydrophobicContact CB-CG 3.9Å; C597-K599 PolarHBondContact O-N 3.27Å; K599-M603 WeakPolarHBondContact O-CB 3.5Å; K599-M603 PolarHBondContact O-N 3.34Å
600	L	73.6	Confident	72.2	Confident	7 Å²	7	56 Å²	56	4%	0.037	30%	0.301	C	S	.	.	H	α-helix	trans	-72.1	-47.3	-179.1	179.3	58.6	0	0	0	111.1	I117 V121 Y586 I594 C597 P598 A602 M603 Q604	I117-L600 HydrophobicContact CG2-CD2 3.51Å; V121-L600 HydrophobicContact CG1-CD1 4.48Å; V121-L600 HydrophobicContact CG2-CD1 3.55Å; Y586-L600 HydrophobicContact CD1-CB 3.71Å; Y586-L600 HydrophobicContact CE1-CB 3.9Å; Y586-L600 HydrophobicContact CE1-CD1 4.36Å; Y586-L600 HydrophobicContact CE2-CD1 4.44Å; Y586-L600 HydrophobicContact CG-CB 4.31Å; I594-L600 HydrophobicContact CG1-CD2 3.92Å; C597-L600 HydrophobicContact CB-CB 3.88Å; C597-L600 WeakPolarHBondContact O-CB 3.29Å; C597-L600 PolarHBondContact O-N 3.3Å; C597-L600 VanDerWaalsContact O-N 3.08Å; P598-L600 VanDerWaalsContact C-N 3.27Å; P598-L600 PolarHBondContact O-N 2.89Å; L600-A602 VanDerWaalsContact C-N 3.34Å; L600-A602 PolarHBondContact O-N 3.45Å; L600-M603 HydrophobicContact CD1-CE 4.41Å; L600-M603 WeakPolarHBondContact O-CB 3.4Å; L600-M603 PolarHBondContact O-N 3.37Å; L600-M603 VanDerWaalsContact O-N 3.14Å; L600-Q604 HydrophobicContact CD1-CG 4.33Å; L600-Q604 WeakPolarHBondContact O-CG 3.25Å; L600-Q604 PolarHBondContact O-N 2.94Å
601	E	78.1	Confident	71.7	Confident	118 Å²	118	60.7 Å²	60.7	55%	0.551	33%	0.326	S	S	*	.	H	α-helix	trans	-59.4	-45.5	176.1	-169.8	-173.7	167.6	0	0	111	C597 P598 M603 Q604 N605	C597-E601 PolarHBondContact O-N 2.94Å; P598-E601 PolarHBondContact O-N 2.64Å; E601-M603 VanDerWaalsContact C-N 3.29Å; E601-M603 PolarHBondContact O-N 3.12Å; E601-Q604 PolarHBondContact O-N 3.48Å; E601-N605 WeakPolarHBondContact O-CB 3.29Å; E601-N605 PolarHBondContact O-N 3.1Å; E601-N605 PolarHBondContact O-ND2 2.84Å
602	A	76.2	Confident	70.8	Confident	42 Å²	42	63.3 Å²	63.3	35%	0.347	35%	0.353	S	S	.	.	H	α-helix	trans	-60.9	-35.7	175.1	0	0	0	0	0	112.7	P598 L600 K606	P598-A602 WeakPolarHBondContact O-CB 3.28Å; P598-A602 PolarHBondContact O-N 3.46Å; L600-A602 VanDerWaalsContact C-N 3.34Å; L600-A602 PolarHBondContact O-N 3.45Å; A602-K606 WeakPolarHBondContact O-CB 3.46Å; A602-K606 VanDerWaalsContact O-CG 3.25Å; A602-K606 WeakPolarHBondContact O-CG 3.43Å; A602-K606 PolarHBondContact O-N 2.81Å
603	M	72.8	Confident	69.5	Low	81 Å²	81	71.9 Å²	71.9	40%	0.399	39%	0.385	S	S	.	.	H	α-helix	trans	-68.8	-45.3	173.5	-166.7	-169.7	79.4	0	0	111.6	V121 Y586 K599 L600 E601 K606 A607	V121-M603 HydrophobicContact CG1-CE 4.43Å; Y586-M603 PolarHBondContact OH-SD 3.2Å; K599-M603 WeakPolarHBondContact O-CB 3.5Å; K599-M603 PolarHBondContact O-N 3.34Å; L600-M603 HydrophobicContact CD1-CE 4.41Å; L600-M603 WeakPolarHBondContact O-CB 3.4Å; L600-M603 PolarHBondContact O-N 3.37Å; L600-M603 VanDerWaalsContact O-N 3.14Å; E601-M603 VanDerWaalsContact C-N 3.29Å; E601-M603 PolarHBondContact O-N 3.12Å; M603-K606 PolarHBondContact O-N 3.33Å; M603-A607 WeakPolarHBondContact O-CB 3.42Å; M603-A607 PolarHBondContact O-N 2.78Å
604	Q	74.5	Confident	68	Low	96 Å²	96	79.4 Å²	79.4	45%	0.449	42%	0.418	S	S	.	.	H	α-helix	trans	-62.6	-42.6	177.5	-71	179.3	2.8	0	0	111.3	L600 E601 A607 A608	L600-Q604 HydrophobicContact CD1-CG 4.33Å; L600-Q604 WeakPolarHBondContact O-CG 3.25Å; L600-Q604 PolarHBondContact O-N 2.94Å; E601-Q604 PolarHBondContact O-N 3.48Å; Q604-A607 PolarHBondContact O-N 2.67Å; Q604-A608 WeakPolarHBondContact O-CB 3.36Å; Q604-A608 PolarHBondContact O-N 3.41Å
605	N	74.9	Confident	66.5	Low	83 Å²	83	84.7 Å²	84.7	44%	0.444	45%	0.446	S	S	.	.	H	α-helix	trans	-63.4	-44.5	174.6	-75.5	-25.3	0	0	0	111.8	E601 A607 A608 I609	E601-N605 WeakPolarHBondContact O-CB 3.29Å; E601-N605 PolarHBondContact O-N 3.1Å; E601-N605 PolarHBondContact O-ND2 2.84Å; N605-A607 VanDerWaalsContact C-N 3.33Å; N605-A607 PolarHBondContact O-N 2.89Å; N605-A608 PolarHBondContact O-N 3.48Å; N605-I609 WeakPolarHBondContact O-CB 3.48Å; N605-I609 WeakPolarHBondContact O-CD1 3.44Å; N605-I609 VanDerWaalsContact O-CG1 3.23Å; N605-I609 WeakPolarHBondContact O-CG1 3.35Å; N605-I609 PolarHBondContact O-N 3.25Å
606	K	71.9	Confident	65.2	Low	143 Å²	143	91 Å²	91	62%	0.622	47%	0.469	S	S	*	.	H	α-helix	trans	-60.4	-40.5	172.4	-76.9	169.1	-176.7	168.8	0	112.1	A602 M603 N610	A602-K606 WeakPolarHBondContact O-CB 3.46Å; A602-K606 VanDerWaalsContact O-CG 3.25Å; A602-K606 WeakPolarHBondContact O-CG 3.43Å; A602-K606 PolarHBondContact O-N 2.81Å; M603-K606 PolarHBondContact O-N 3.33Å; K606-N610 WeakPolarHBondContact O-CB 3.47Å; K606-N610 VanDerWaalsContact O-CG 3.27Å; K606-N610 PolarHBondContact O-N 3.18Å; K606-N610 PolarHBondContact O-ND2 3.13Å
607	A	65.2	Low	63.8	Low	45 Å²	45	93.1 Å²	93.1	37%	0.372	48%	0.484	S	S	.	.	H	α-helix	trans	-66.3	-43.2	176.1	0	0	0	0	0	111.9	M603 Q604 N605 N610 L611	M603-A607 WeakPolarHBondContact O-CB 3.42Å; M603-A607 PolarHBondContact O-N 2.78Å; Q604-A607 PolarHBondContact O-N 2.67Å; N605-A607 VanDerWaalsContact C-N 3.33Å; N605-A607 PolarHBondContact O-N 2.89Å; A607-N610 PolarHBondContact O-N 3.03Å; A607-L611 VanDerWaalsContact O-CD1 3.22Å; A607-L611 WeakPolarHBondContact O-CD1 3.26Å; A607-L611 PolarHBondContact O-N 3.22Å
608	A	67.9	Low	62.6	Low	60 Å²	60	97.6 Å²	97.6	50%	0.496	52%	0.515	S	S	.	.	H	α-helix	trans	-63.5	-43.1	176.7	0	0	0	0	0	112.1	Q604 N605 N610 L611 G612	Q604-A608 WeakPolarHBondContact O-CB 3.36Å; Q604-A608 PolarHBondContact O-N 3.41Å; N605-A608 PolarHBondContact O-N 3.48Å; A608-N610 VanDerWaalsContact C-N 3.32Å; A608-N610 PolarHBondContact O-N 3.47Å; A608-L611 PolarHBondContact O-N 2.71Å; A608-G612 PolarHBondContact O-N 2.88Å
609	I	68.4	Low	60.9	Low	103 Å²	103	99.7 Å²	99.7	53%	0.528	53%	0.53	S	S	.	.	H	α-helix	trans	-61	-41.3	173.3	-68.7	163.3	0	0	0	110.8	N605 G612 R613	N605-I609 WeakPolarHBondContact O-CB 3.48Å; N605-I609 WeakPolarHBondContact O-CD1 3.44Å; N605-I609 VanDerWaalsContact O-CG1 3.23Å; N605-I609 WeakPolarHBondContact O-CG1 3.35Å; N605-I609 PolarHBondContact O-N 3.25Å; I609-G612 PolarHBondContact O-N 3.1Å; I609-R613 WeakPolarHBondContact O-CB 3.35Å; I609-R613 PolarHBondContact O-N 3.29Å
610	N	58.4	Low	59.6	Low	104 Å²	104	102 Å²	102	56%	0.556	56%	0.556	S	S	*	*	H	α-helix	trans	-70.4	-32.1	177.1	-74.7	-24	0	0	0	113.1	K606 A607 A608	K606-N610 WeakPolarHBondContact O-CB 3.47Å; K606-N610 VanDerWaalsContact O-CG 3.27Å; K606-N610 PolarHBondContact O-N 3.18Å; K606-N610 PolarHBondContact O-ND2 3.13Å; A607-N610 PolarHBondContact O-N 3.03Å; A608-N610 VanDerWaalsContact C-N 3.32Å; A608-N610 PolarHBondContact O-N 3.47Å
611	L	58.5	Low	58.2	Low	123 Å²	123	108.7 Å²	108.7	64%	0.644	59%	0.592	S	S	*	*	H	α-helix	trans	-69.3	-43.3	169.3	-94.4	90.5	0	0	0	111.7	A607 A608 R613 K614	A607-L611 VanDerWaalsContact O-CD1 3.22Å; A607-L611 WeakPolarHBondContact O-CD1 3.26Å; A607-L611 PolarHBondContact O-N 3.22Å; A608-L611 PolarHBondContact O-N 2.71Å; L611-R613 PolarHBondContact O-N 3.29Å; L611-K614 WeakPolarHBondContact O-CB 3.47Å; L611-K614 PolarHBondContact O-N 3.48Å; L611-K614 VanDerWaalsContact O-N 3.09Å
612	G	50.2	Low	56.5	Low	55 Å²	55	117.5 Å²	117.5	57%	0.567	62%	0.623	S	S	*	*	H	α-helix	trans	-65.2	-19.9	176.6	0	0	0	0	0	113.9	A608 I609 K614	A608-G612 PolarHBondContact O-N 2.88Å; I609-G612 PolarHBondContact O-N 3.1Å; G612-K614 VanDerWaalsContact C-N 3.32Å
613	R	46.6	Very low	55.5	Low	189 Å²	189	121.3 Å²	121.3	71%	0.713	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	3.8	171.5	-88.8	-175.2	168.8	179.9	-2.5	115.1	I609 L611 D615	I609-R613 WeakPolarHBondContact O-CB 3.35Å; I609-R613 PolarHBondContact O-N 3.29Å; L611-R613 PolarHBondContact O-N 3.29Å; R613-D615 VanDerWaalsContact C-N 3.33Å; R613-D615 PolarHBondContact O-N 3.27Å
614	K	43.7	Very low	54.6	Low	165 Å²	165	123.4 Å²	123.4	72%	0.717	65%	0.649	S	S	*	*	S	Bend	trans	-70.6	91.3	168.9	-77.8	-171.8	171.1	-176	0	110.8	L611 G612 F616	L611-K614 WeakPolarHBondContact O-CB 3.47Å; L611-K614 PolarHBondContact O-N 3.48Å; L611-K614 VanDerWaalsContact O-N 3.09Å; G612-K614 VanDerWaalsContact C-N 3.32Å; K614-F616 PolarHBondContact O-N 2.84Å; K614-F616 VanDerWaalsContact O-N 3.08Å
615	D	43.2	Very low	53.5	Low	116 Å²	116	124.9 Å²	124.9	62%	0.62	66%	0.66	S	S	*	*			trans	1.7	81.2	167.4	-60.9	-45.4	0	0	0	118	R613 L617 S618	R613-D615 VanDerWaalsContact C-N 3.33Å; R613-D615 PolarHBondContact O-N 3.27Å; D615-L617 PolarHBondContact O-N 3.24Å; D615-L617 VanDerWaalsContact O-N 3.08Å; D615-S618 PolarHBondContact O-N 2.92Å; D615-S618 PolarHBondContact O-OG 3.36Å
616	F	48.1	Very low	52.2	Low	184 Å²	184	127.4 Å²	127.4	81%	0.807	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	-8.8	162.2	-91.1	-84.7	0	0	0	113.9	K614	K614-F616 PolarHBondContact O-N 2.84Å; K614-F616 VanDerWaalsContact O-N 3.08Å
617	L	43.8	Very low	51	Low	162 Å²	162	126.4 Å²	126.4	85%	0.848	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-3.6	173.9	-72	171.2	0	0	0	113.7	D615	D615-L617 PolarHBondContact O-N 3.24Å; D615-L617 VanDerWaalsContact O-N 3.08Å
618	S	50.9	Low	50	Low	99 Å²	99	131.9 Å²	131.9	69%	0.692	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	-9.5	179.2	65.2	0	0	0	0	114.3	D615	D615-S618 PolarHBondContact O-N 2.92Å; D615-S618 PolarHBondContact O-OG 3.36Å
619	S	39.8	Very low	48.8	Very low	82 Å²	82	137 Å²	137	57%	0.573	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.5	29.9	-179.7	69.2	0	0	0	0	113.3	D621	S619-D621 PolarHBondContact O-N 3.11Å
620	A	44.1	Very low	47.3	Very low	84 Å²	84	139.6 Å²	139.6	69%	0.694	72%	0.724	S	S	*	*			trans	-80.5	80.6	160.6	0	0	0	0	0	107.8
621	D	45.9	Very low	46.3	Very low	148 Å²	148	142.6 Å²	142.6	79%	0.791	74%	0.738	S	S	*	*			trans	-62.7	139.8	175.4	-81.9	-43.5	0	0	0	111	S619	S619-D621 PolarHBondContact O-N 3.11Å
622	Y	41.2	Very low	45.2	Very low	304 Å²	304	144.4 Å²	144.4	100%	1.192	75%	0.747	S	S	*	*			trans	-41.6	0	-172.5	-71.2	-98.4	0	0	0	117.7

Retrieved 622 of 622 residues in 1446.5 ms (Link to these results)

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