A0A077ZFR7_TRITR Loading...

DNA-directed DNA polymerase

AlphaFold DB , UniProt , Accession A0A077ZFR7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 866 aa.

						>A0A077ZFR7_TRITR|A0A077ZFR7
MQSYSMTVGRLTEKVVHELPSSRSTETDSASSDSTTDVLTFEKMRKYFPFLAGTNLKEHFQTIAEQSSQKYKTLLEQFAKCKVPQILPEWSFTPGWTKYSFCGGTPISVAFPDEDALVFDVEVCLRDGNHPVIATAMSSTAWYSWCSRRLCYNLIPLQADIHSTDSAVDRERIVIGHNVGFDRAYVREQYSIQDKKLRFWDTMSTHIAVCGLAGDQRVLYMAARKVLFDLYNFWRKTATNSLLEVHRFHCPNSHLTLDKDVRNIFVTGTLEDVRKTFQTVMTYCAMDVAATFEVFVKLMPQFWERFPHPVTFMGMLEMGTSYLPTDKNWFHYVAACDKSYKLLQQQVHAFKYSLDDVFPHRWYSSLLSRTSPLADDWDEAGRPVAFGHETIDELINLTPQLRIMPKLLKLHWNGYPLHFSNLLGWGYLIPGRTSNLADFEQDSEGRYLVAPDELANGKELVKNGPTHFLICRKYCSVMPRVICAGTVTRRAVESTWMTVSNPEVHEVRIGSELKGLIKAPLGYRFVGSDVDSQELWIAALFGDSRSLRIHGCTPNSWMLLKGDRNMKTDQHSVIAQEMSISRSQAKVLNYGRMYGAGRAFAVRLLKGFRPDLSSDEAERLATKLYRRTKGRNVYVYEKTVSLSIYCKVLCRYELSEMDENKKSEIPSIIRTTVDIPSCPMKLCFSESDMFNALESIAHSKQPRTPVLQCRISRALEPSSVDEDVMNWVVQSSAVDYLHVMLVSMRWFCQFYGIQARFSISIHDEVRYLVSEKDKYVAALALQYTNLLTRAFFAVSLGLYSLPKSVAFFSQMEIDRVLRKSVESDFIPLDTIGTTLIGRNCTKEELLKLRRITHTFSDEAFCKTRNP
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	28.5	Very low	33.3	Very low	212 Å²	212	100 Å²	100	100%	1.044	52%	0.516	S	S	*	.				0	-52.4	0	-72.3	-169.7	-159.9	0	0	113.5	S3 Y4 S5	M1-S3 VanDerWaalsContact C-N 3.28Å; M1-S3 PolarHBondContact O-N 2.67Å; M1-Y4 PolarHBondContact O-N 3.28Å; M1-Y4 VanDerWaalsContact O-N 3.12Å; M1-S5 PolarHBondContact O-N 3.2Å
2	Q	26	Very low	33.4	Very low	171 Å²	171	93.8 Å²	93.8	80%	0.799	49%	0.486	S	S	*	.	H	α-helix	trans	-58.4	-35.1	173.6	-82.6	175.2	-23.1	0	0	113.8	Y4 S5 M6	Q2-Y4 VanDerWaalsContact C-N 3.33Å; Q2-Y4 PolarHBondContact O-N 3.06Å; Q2-S5 PolarHBondContact O-N 3.32Å; Q2-M6 PolarHBondContact O-N 3.02Å; Q2-M6 VanDerWaalsContact O-N 3.09Å
3	S	29.3	Very low	33.4	Very low	82 Å²	82	93.5 Å²	93.5	57%	0.573	48%	0.481	S	S	*	.	H	α-helix	trans	-62.5	-34.5	174.8	135.8	0	0	0	0	113.1	M1 M6 T7	M1-S3 VanDerWaalsContact C-N 3.28Å; M1-S3 PolarHBondContact O-N 2.67Å; S3-M6 PolarHBondContact O-N 3.45Å; S3-T7 WeakPolarHBondContact O-CB 3.28Å; S3-T7 PolarHBondContact O-N 2.66Å; S3-T7 PolarHBondContact O-OG1 3.26Å
4	Y	33	Very low	33.5	Very low	101 Å²	101	96.4 Å²	96.4	40%	0.396	49%	0.488	S	S	.	.	H	α-helix	trans	-73.1	-39	-179.4	-166.3	-96.5	0	0	0	111.8	M1 Q2 T7 V8 L547	M1-Y4 PolarHBondContact O-N 3.28Å; M1-Y4 VanDerWaalsContact O-N 3.12Å; Q2-Y4 VanDerWaalsContact C-N 3.33Å; Q2-Y4 PolarHBondContact O-N 3.06Å; Y4-T7 PolarHBondContact O-N 3.48Å; Y4-V8 HydrophobicContact CD1-CG2 4.14Å; Y4-V8 HydrophobicContact CE1-CG2 3.87Å; Y4-V8 WeakPolarHBondContact O-CG2 3.48Å; Y4-V8 PolarHBondContact O-N 3.48Å; Y4-L547 HydrophobicContact CD1-CD1 4.49Å
5	S	33.1	Very low	33.5	Very low	73 Å²	73	96.3 Å²	96.3	51%	0.51	49%	0.494	S	S	.	.	H	α-helix	trans	-64.7	-40.1	172.9	175.7	0	0	0	0	112.1	M1 Q2 G9	M1-S5 PolarHBondContact O-N 3.2Å; Q2-S5 PolarHBondContact O-N 3.32Å; S5-G9 PolarHBondContact O-N 2.77Å
6	M	36.5	Very low	33.5	Very low	112 Å²	112	95.8 Å²	95.8	55%	0.552	50%	0.497	S	S	*	.	H	α-helix	trans	-65.7	-38.7	172.1	-84.3	-160.4	-79.5	0	0	112.7	Q2 S3 R10	Q2-M6 PolarHBondContact O-N 3.02Å; Q2-M6 VanDerWaalsContact O-N 3.09Å; S3-M6 PolarHBondContact O-N 3.45Å; M6-R10 VanDerWaalsContact O-CB 3.29Å; M6-R10 WeakPolarHBondContact O-CB 3.43Å; M6-R10 VanDerWaalsContact O-CG 3.28Å; M6-R10 WeakPolarHBondContact O-CG 3.47Å; M6-R10 PolarHBondContact O-N 3.37Å
7	T	36.1	Very low	33.3	Very low	69 Å²	69	97.8 Å²	97.8	42%	0.423	50%	0.502	S	S	.	.	H	α-helix	trans	-69.3	-43.8	179.4	-58.3	0	0	0	0	111.6	S3 Y4 R10 L11	S3-T7 WeakPolarHBondContact O-CB 3.28Å; S3-T7 PolarHBondContact O-N 2.66Å; S3-T7 PolarHBondContact O-OG1 3.26Å; Y4-T7 PolarHBondContact O-N 3.48Å; T7-R10 PolarHBondContact O-N 2.93Å; T7-L11 HydrophobicContact CG2-CD1 3.97Å; T7-L11 HydrophobicContact CG2-CG 4.49Å; T7-L11 VanDerWaalsContact O-CB 3.31Å; T7-L11 WeakPolarHBondContact O-CB 3.26Å; T7-L11 WeakPolarHBondContact O-CD1 3.36Å; T7-L11 WeakPolarHBondContact O-CG 3.2Å; T7-L11 PolarHBondContact O-N 2.94Å
8	V	37.2	Very low	33.2	Very low	42 Å²	42	102.4 Å²	102.4	26%	0.255	52%	0.522	S	S	.	.	H	α-helix	trans	-66.2	-40.4	175.3	176.6	0	0	0	0	111.2	Y4 L11 T12	Y4-V8 HydrophobicContact CD1-CG2 4.14Å; Y4-V8 HydrophobicContact CE1-CG2 3.87Å; Y4-V8 WeakPolarHBondContact O-CG2 3.48Å; Y4-V8 PolarHBondContact O-N 3.48Å; V8-L11 WeakPolarHBondContact O-CB 3.24Å; V8-L11 PolarHBondContact O-N 2.85Å; V8-T12 PolarHBondContact O-N 3.34Å; V8-T12 PolarHBondContact O-OG1 3.37Å
9	G	35.6	Very low	32.9	Very low	23 Å²	23	102.9 Å²	102.9	24%	0.237	53%	0.525	C	S	.	.	H	α-helix	trans	-62.1	-43.9	173.7	0	0	0	0	0	113.4	S5 L11 T12 E13	S5-G9 PolarHBondContact O-N 2.77Å; G9-L11 VanDerWaalsContact C-N 3.35Å; G9-L11 PolarHBondContact O-N 3.26Å; G9-T12 PolarHBondContact O-N 2.99Å; G9-T12 PolarHBondContact O-OG1 2.69Å; G9-E13 PolarHBondContact O-N 3.21Å
10	R	36.8	Very low	32.5	Very low	167 Å²	167	104.2 Å²	104.2	63%	0.63	54%	0.541	S	S	*	.	H	α-helix	trans	-67.4	-33	174.2	-76.9	179.8	-175.8	-178	2.2	112.9	M6 T7 T12 E13 K14	M6-R10 VanDerWaalsContact O-CB 3.29Å; M6-R10 WeakPolarHBondContact O-CB 3.43Å; M6-R10 VanDerWaalsContact O-CG 3.28Å; M6-R10 WeakPolarHBondContact O-CG 3.47Å; M6-R10 PolarHBondContact O-N 3.37Å; T7-R10 PolarHBondContact O-N 2.93Å; R10-T12 VanDerWaalsContact C-N 3.32Å; R10-E13 PolarHBondContact O-N 3.48Å; R10-K14 PolarHBondContact O-N 2.85Å
11	L	33.9	Very low	32.3	Very low	48 Å²	48	103.9 Å²	103.9	25%	0.251	55%	0.547	S	S	.	.	H	α-helix	trans	-66.7	-35.9	173.4	-76.8	165.2	0	0	0	111.6	T7 V8 G9 V15 Y652	T7-L11 HydrophobicContact CG2-CD1 3.97Å; T7-L11 HydrophobicContact CG2-CG 4.49Å; T7-L11 VanDerWaalsContact O-CB 3.31Å; T7-L11 WeakPolarHBondContact O-CB 3.26Å; T7-L11 WeakPolarHBondContact O-CD1 3.36Å; T7-L11 WeakPolarHBondContact O-CG 3.2Å; T7-L11 PolarHBondContact O-N 2.94Å; V8-L11 WeakPolarHBondContact O-CB 3.24Å; V8-L11 PolarHBondContact O-N 2.85Å; G9-L11 VanDerWaalsContact C-N 3.35Å; G9-L11 PolarHBondContact O-N 3.26Å; L11-V15 WeakPolarHBondContact O-CG2 3.49Å; L11-V15 PolarHBondContact O-N 2.71Å; L11-Y652 HydrophobicContact CD2-CD2 3.33Å; L11-Y652 HydrophobicContact CD2-CE1 4.44Å; L11-Y652 HydrophobicContact CD2-CE2 2.88Å; L11-Y652 HydrophobicContact CD2-CG 4.3Å; L11-Y652 HydrophobicContact CG-CE2 4.38Å
12	T	35	Very low	32.3	Very low	26 Å²	26	99.2 Å²	99.2	16%	0.16	54%	0.536	C	S	.	.	H	α-helix	trans	-73.1	-37.4	174.2	-2.2	0	0	0	0	111.5	V8 G9 R10 K14 V15 V16 P554	V8-T12 PolarHBondContact O-N 3.34Å; V8-T12 PolarHBondContact O-OG1 3.37Å; G9-T12 PolarHBondContact O-N 2.99Å; G9-T12 PolarHBondContact O-OG1 2.69Å; R10-T12 VanDerWaalsContact C-N 3.32Å; T12-K14 PolarHBondContact O-N 3.1Å; T12-V15 PolarHBondContact O-N 3.36Å; T12-V16 WeakPolarHBondContact O-CG2 3.42Å; T12-V16 PolarHBondContact O-N 2.68Å; T12-P554 HydrophobicContact CG2-CB 4.1Å; T12-P554 HydrophobicContact CG2-CG 4.34Å
13	E	33.5	Very low	32.3	Very low	90 Å²	90	102.6 Å²	102.6	42%	0.421	54%	0.541	S	S	.	.	H	α-helix	trans	-59.9	-43	172	-83.8	178.9	162	0	0	112.3	G9 R10 V15 V16 H17	G9-E13 PolarHBondContact O-N 3.21Å; R10-E13 PolarHBondContact O-N 3.48Å; E13-V15 VanDerWaalsContact C-N 3.3Å; E13-V15 PolarHBondContact O-N 2.7Å; E13-V16 PolarHBondContact O-N 2.76Å; E13-V16 VanDerWaalsContact O-N 3.15Å; E13-H17 WeakPolarHBondContact O-CB 3.29Å; E13-H17 PolarHBondContact O-CD2 3.02Å; E13-H17 PolarHBondContact O-N 2.75Å
14	K	33.9	Very low	32.2	Very low	133 Å²	133	103.6 Å²	103.6	58%	0.578	55%	0.548	S	S	*	.	H	α-helix	trans	-64.1	-30.3	176.5	-83.4	-173.2	172.5	-173.6	0	113.9	R10 T12 V16 Y652	R10-K14 PolarHBondContact O-N 2.85Å; T12-K14 PolarHBondContact O-N 3.1Å; K14-V16 VanDerWaalsContact C-N 3.33Å; K14-Y652 WeakPolarHBondContact CD-OH 3.36Å
15	V	34.8	Very low	31.7	Very low	95 Å²	95	105 Å²	105	58%	0.576	57%	0.568	S	S	*	*	H	α-helix	trans	-76.6	-21.6	176.4	174.9	0	0	0	0	112.1	L11 T12 E13	L11-V15 WeakPolarHBondContact O-CG2 3.49Å; L11-V15 PolarHBondContact O-N 2.71Å; T12-V15 PolarHBondContact O-N 3.36Å; E13-V15 VanDerWaalsContact C-N 3.3Å; E13-V15 PolarHBondContact O-N 2.7Å
16	V	32.3	Very low	31.4	Very low	89 Å²	89	110.4 Å²	110.4	54%	0.539	59%	0.585	S	S	.	*	H	α-helix	trans	-94.2	-24.5	178	177.3	0	0	0	0	112.2	T12 E13 K14 E18	T12-V16 WeakPolarHBondContact O-CG2 3.42Å; T12-V16 PolarHBondContact O-N 2.68Å; E13-V16 PolarHBondContact O-N 2.76Å; E13-V16 VanDerWaalsContact O-N 3.15Å; K14-V16 VanDerWaalsContact C-N 3.33Å; V16-E18 PolarHBondContact O-N 3.35Å
17	H	31.3	Very low	30.9	Very low	129 Å²	129	111.1 Å²	111.1	60%	0.597	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	7.1	-174.9	-94.2	-70.5	0	0	0	116.9	E13 L19	E13-H17 WeakPolarHBondContact O-CB 3.29Å; E13-H17 PolarHBondContact O-CD2 3.02Å; E13-H17 PolarHBondContact O-N 2.75Å; H17-L19 PolarHBondContact O-N 3.48Å
18	E	30.4	Very low	30.2	Very low	181 Å²	181	116.1 Å²	116.1	85%	0.846	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	17.6	170.4	-74.8	-170.5	168	0	0	113.9	V16	V16-E18 PolarHBondContact O-N 3.35Å
19	L	27.4	Very low	29.8	Very low	112 Å²	112	119.6 Å²	119.6	59%	0.586	65%	0.646	S	S	*	*	S	Bend	trans	-111.2	131.5	169.5	-72.5	166	0	0	0	109.6	H17 S21	H17-L19 PolarHBondContact O-N 3.48Å; L19-S21 PolarHBondContact O-N 3.39Å
20	P	25.7	Very low	29.2	Very low	129 Å²	129	123 Å²	123	84%	0.838	67%	0.672	S	S	*	*			trans	-70.4	109.2	-173.1	28	-31.6	0	0	0	109.9	S22	P20-S22 PolarHBondContact O-N 2.94Å
21	S	28.4	Very low	28.6	Very low	98 Å²	98	120.7 Å²	120.7	69%	0.685	68%	0.681	S	S	*	*			trans	-79.3	104.5	168.1	58.1	0	0	0	0	109.1	L19 R23	L19-S21 PolarHBondContact O-N 3.39Å; S21-R23 PolarHBondContact O-N 2.92Å
22	S	28.1	Very low	28.2	Very low	114 Å²	114	123.6 Å²	123.6	80%	0.797	71%	0.705	S	S	*	*			trans	-63.2	117.6	163.1	52	0	0	0	0	109.1	P20 S24	P20-S22 PolarHBondContact O-N 2.94Å; S22-S24 PolarHBondContact O-N 2.54Å
23	R	25.5	Very low	27.6	Very low	241 Å²	241	130.5 Å²	130.5	91%	0.909	74%	0.741	S	S	*	*			trans	-65.8	113.7	165.6	-83.1	176.2	169.1	171.1	-4.2	109.1	S21	S21-R23 PolarHBondContact O-N 2.92Å
24	S	27.1	Very low	27.2	Very low	104 Å²	104	130.4 Å²	130.4	73%	0.727	75%	0.751	S	S	*	*			trans	-95.8	110.5	152.5	53.1	0	0	0	0	107.8	S22 E26	S22-S24 PolarHBondContact O-N 2.54Å; S24-E26 PolarHBondContact O-N 2.71Å
25	T	23.2	Very low	26.9	Very low	131 Å²	131	130.6 Å²	130.6	80%	0.804	76%	0.763	S	S	*	*			trans	-68.1	109.3	164	43.6	0	0	0	0	108.3
26	E	26.9	Very low	26.7	Very low	185 Å²	185	130.9 Å²	130.9	86%	0.864	77%	0.765	S	S	*	*			trans	-110.9	126	160.8	-83.5	-175.5	168.9	0	0	109	S24	S24-E26 PolarHBondContact O-N 2.71Å
27	T	25.4	Very low	26.7	Very low	127 Å²	127	132 Å²	132	78%	0.779	77%	0.768	S	S	*	*			trans	-74.6	131.5	-173.1	43.1	0	0	0	0	111.4	S29	T27-S29 PolarHBondContact O-N 3.35Å
28	D	22.6	Very low	27	Very low	174 Å²	174	131 Å²	131	93%	0.93	77%	0.771	S	S	*	*			trans	-55.4	120	163.8	-73.8	-46.2	0	0	0	110.6
29	S	27.3	Very low	27.5	Very low	116 Å²	116	124.8 Å²	124.8	81%	0.811	74%	0.743	S	S	*	*			trans	-140.4	136.4	154.8	62.7	0	0	0	0	109.7	T27	T27-S29 PolarHBondContact O-N 3.35Å
30	A	24	Very low	28.4	Very low	94 Å²	94	123.1 Å²	123.1	78%	0.777	74%	0.738	S	S	*	*			trans	-78.3	167	-159.2	0	0	0	0	0	114.4
31	S	24.2	Very low	29.5	Very low	119 Å²	119	123.6 Å²	123.6	83%	0.832	73%	0.727	S	S	*	*			trans	86.9	91.2	163.6	75.9	0	0	0	0	117.7
32	S	25.4	Very low	30.4	Very low	108 Å²	108	126.5 Å²	126.5	76%	0.755	73%	0.73	S	S	*	*				-157.3	127.5	125.2	52.3	0	0	0	0	110.2	S34	S32-S34 PolarHBondContact O-N 3.16Å
33	D	23.2	Very low	31.5	Very low	171 Å²	171	125.5 Å²	125.5	91%	0.914	71%	0.711	S	S	*	*			trans	-51.7	106.7	171	-80.7	-44.2	0	0	0	110.9
34	S	25.2	Very low	32.8	Very low	89 Å²	89	114.3 Å²	114.3	62%	0.622	67%	0.669	S	S	*	*			trans	-143	74.9	157.3	59.5	0	0	0	0	109.4	S32 T36	S32-S34 PolarHBondContact O-N 3.16Å; S34-T36 PolarHBondContact O-N 3.21Å; S34-T36 PolarHBondContact O-OG1 3.25Å
35	T	26.1	Very low	34.5	Very low	137 Å²	137	117.9 Å²	117.9	84%	0.84	67%	0.667	S	S	*	*			trans	-63.7	78.4	144.1	48.8	0	0	0	0	107.2	D37	T35-D37 PolarHBondContact O-N 3.02Å
36	T	31.1	Very low	36.5	Very low	100 Å²	100	117.8 Å²	117.8	61%	0.613	66%	0.655	S	S	*	*			trans	-59.7	91.2	154.6	1.7	0	0	0	0	104.4	S34 V38	S34-T36 PolarHBondContact O-N 3.21Å; S34-T36 PolarHBondContact O-OG1 3.25Å; T36-V38 VanDerWaalsContact C-N 3.25Å; T36-V38 WeakPolarHBondContact O-CG2 3.39Å; T36-V38 PolarHBondContact O-N 2.81Å
37	D	33	Very low	38.3	Very low	112 Å²	112	110.5 Å²	110.5	60%	0.599	62%	0.62	S	S	*	*			trans	-44.8	95.2	172.6	-165	14.7	0	0	0	106.5	T35 L39 K43	T35-D37 PolarHBondContact O-N 3.02Å; D37-L39 PolarHBondContact O-N 2.85Å; D37-K43 IonicContact OD1-NZ 3.7Å; D37-K43 PolarHBondContact OD1-NZ 3.24Å; D37-K43 IonicContact OD2-NZ 2.92Å; D37-K43 PolarHBondContact OD2-NZ 2.94Å
38	V	37.1	Very low	40.6	Very low	110 Å²	110	106.4 Å²	106.4	67%	0.667	59%	0.592	S	S	*	*			trans	-67.4	92.5	-177.6	177.3	0	0	0	0	103.5	T36 T40	T36-V38 VanDerWaalsContact C-N 3.25Å; T36-V38 WeakPolarHBondContact O-CG2 3.39Å; T36-V38 PolarHBondContact O-N 2.81Å; V38-T40 VanDerWaalsContact C-N 3.28Å; V38-T40 PolarHBondContact O-N 3.45Å
39	L	41.1	Very low	43.2	Very low	49 Å²	49	98.2 Å²	98.2	26%	0.257	55%	0.548	S	S	.	.			trans	-50	96.2	177.5	-98.5	145.1	0	0	0	107.8	D37 K43 M44 L846	D37-L39 PolarHBondContact O-N 2.85Å; L39-K43 HydrophobicContact CD2-CB 3.85Å; L39-K43 HydrophobicContact CD2-CD 3.77Å; L39-K43 HydrophobicContact CD2-CG 4.45Å; L39-K43 HydrophobicContact CG-CD 4.47Å; L39-M44 HydrophobicContact CB-CE 4Å; L39-M44 VanDerWaalsContact O-CE 3.24Å; L39-M44 WeakPolarHBondContact O-CE 3.39Å; L39-L846 HydrophobicContact CD1-CB 4.16Å; L39-L846 HydrophobicContact CD1-CD1 4.32Å; L39-L846 HydrophobicContact CD2-CD1 4.44Å
40	T	46.5	Very low	45.9	Very low	77 Å²	77	100.6 Å²	100.6	47%	0.472	54%	0.544	S	S	.	.			trans	-65.1	147.8	-178.6	7.5	0	0	0	0	108.5	V38 E42 K43	V38-T40 VanDerWaalsContact C-N 3.28Å; V38-T40 PolarHBondContact O-N 3.45Å; T40-E42 PolarHBondContact O-N 3.45Å; T40-K43 PolarHBondContact O-N 3.29Å
41	F	47.1	Very low	48.9	Very low	140 Å²	140	99 Å²	99	61%	0.614	52%	0.522	S	S	*	.	H	α-helix	trans	-49.4	-28.8	177.3	-166.9	-92.4	0	0	0	112.3	M44 R45 L786	F41-M44 WeakPolarHBondContact O-CB 3.33Å; F41-M44 PolarHBondContact O-N 2.8Å; F41-M44 VanDerWaalsContact O-N 3.16Å; F41-R45 PolarHBondContact O-N 2.86Å; F41-L786 HydrophobicContact CE2-CD2 4.31Å
42	E	48.7	Very low	52	Low	158 Å²	158	95.3 Å²	95.3	74%	0.738	50%	0.498	S	S	*	.	H	α-helix	trans	-59.2	-44.3	173.2	-67.4	-170.1	145.6	0	0	114.4	T40 M44 R45	T40-E42 PolarHBondContact O-N 3.45Å; E42-M44 PolarHBondContact O-N 3.04Å; E42-R45 PolarHBondContact O-N 3.12Å
43	K	51.6	Low	55	Low	94 Å²	94	91 Å²	91	41%	0.409	47%	0.471	S	S	.	.	H	α-helix	trans	-64.8	-30.1	175.4	-78.8	179.2	178.2	168.4	0	111.3	D37 L39 T40 Y47	D37-K43 IonicContact OD1-NZ 3.7Å; D37-K43 PolarHBondContact OD1-NZ 3.24Å; D37-K43 IonicContact OD2-NZ 2.92Å; D37-K43 PolarHBondContact OD2-NZ 2.94Å; L39-K43 HydrophobicContact CD2-CB 3.85Å; L39-K43 HydrophobicContact CD2-CD 3.77Å; L39-K43 HydrophobicContact CD2-CG 4.45Å; L39-K43 HydrophobicContact CG-CD 4.47Å; T40-K43 PolarHBondContact O-N 3.29Å; K43-Y47 WeakPolarHBondContact O-CD2 3.17Å
44	M	52.7	Low	58.2	Low	5 Å²	5	88.5 Å²	88.5	3%	0.025	46%	0.462	C	S	.	.	H	α-helix	trans	-76.2	-35.5	176.3	-72.2	173.8	-141.2	0	0	112.7	L39 F41 E42 K46 Y47 K842 L846	L39-M44 HydrophobicContact CB-CE 4Å; L39-M44 VanDerWaalsContact O-CE 3.24Å; L39-M44 WeakPolarHBondContact O-CE 3.39Å; F41-M44 WeakPolarHBondContact O-CB 3.33Å; F41-M44 PolarHBondContact O-N 2.8Å; F41-M44 VanDerWaalsContact O-N 3.16Å; E42-M44 PolarHBondContact O-N 3.04Å; M44-K46 PolarHBondContact O-N 2.81Å; M44-K46 VanDerWaalsContact O-N 3.15Å; M44-Y47 PolarHBondContact O-N 3.42Å; M44-K842 VanDerWaalsContact CE-NZ 3.27Å; M44-K842 WeakPolarHBondContact SD-CE 3.42Å; M44-K842 PolarHBondContact SD-NZ 3.12Å; M44-K842 VanDerWaalsContact SD-NZ 3.39Å; M44-L846 HydrophobicContact CE-CD1 3.61Å; M44-L846 HydrophobicContact CG-CD1 3.96Å; M44-L846 HydrophobicContact CG-CD2 4.43Å; M44-L846 HydrophobicContact SD-CD1 4.09Å
45	R	63.1	Low	61.4	Low	180 Å²	180	87.3 Å²	87.3	68%	0.679	45%	0.449	S	S	*	.	H	α-helix	trans	-55.9	-33.9	-176.9	-170.9	178.7	-178.4	175.2	1.2	112.8	F41 E42 Y47 F48	F41-R45 PolarHBondContact O-N 2.86Å; E42-R45 PolarHBondContact O-N 3.12Å; R45-Y47 PolarHBondContact O-N 3.23Å; R45-F48 WeakPolarHBondContact O-CB 3.26Å; R45-F48 PolarHBondContact O-N 2.82Å; R45-F48 VanDerWaalsContact O-N 3.1Å
46	K	64.9	Low	64.6	Low	129 Å²	129	82 Å²	82	56%	0.561	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-23.3	-179.9	90.9	168.8	-171.2	172.5	0	113.9	M44	M44-K46 PolarHBondContact O-N 2.81Å; M44-K46 VanDerWaalsContact O-N 3.15Å
47	Y	64.8	Low	67.6	Low	31 Å²	31	82.3 Å²	82.3	12%	0.122	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	8.8	179	-54.6	-70	0	0	0	111.9	K43 M44 R45 Y751 T852 F855	K43-Y47 WeakPolarHBondContact O-CD2 3.17Å; M44-Y47 PolarHBondContact O-N 3.42Å; R45-Y47 PolarHBondContact O-N 3.23Å; Y47-Y751 PolarHBondContact O-OH 2.88Å; Y47-T852 HydrophobicContact CE1-CG2 4.34Å; Y47-T852 HydrophobicContact CE2-CG2 4.46Å; Y47-T852 WeakPolarHBondContact OH-CB 3.14Å; Y47-T852 WeakPolarHBondContact OH-CG2 3.44Å; Y47-F855 HydrophobicContact CD1-CB 3.52Å; Y47-F855 AromaticContact CD1-CD2 3.96Å; Y47-F855 HydrophobicContact CD1-CD2 3.96Å; Y47-F855 HydrophobicContact CD1-CG 4.04Å; Y47-F855 HydrophobicContact CE1-CB 4.12Å; Y47-F855 HydrophobicContact CG-CD2 4.34Å
48	F	72.5	Confident	70.6	Confident	42 Å²	42	81 Å²	81	18%	0.184	40%	0.398	C	S	.	.	S	Bend	trans	-100.3	126.2	179.4	-157.7	-95.4	0	0	0	108.2	R45 L51 F747 Y783 L787	R45-F48 WeakPolarHBondContact O-CB 3.26Å; R45-F48 PolarHBondContact O-N 2.82Å; R45-F48 VanDerWaalsContact O-N 3.1Å; F48-L51 HydrophobicContact CE1-CD2 3.99Å; F48-F747 HydrophobicContact CE2-CZ 4.02Å; F48-F747 HydrophobicContact CZ-CZ 4.24Å; F48-Y783 AromaticContact CD2-CD1 3.88Å; F48-Y783 HydrophobicContact CD2-CD1 3.88Å; F48-Y783 HydrophobicContact CD2-CD2 4.22Å; F48-Y783 HydrophobicContact CD2-CE1 4.1Å; F48-Y783 HydrophobicContact CD2-CE2 4.4Å; F48-Y783 AromaticContact CD2-CG 3.96Å; F48-Y783 HydrophobicContact CD2-CG 3.96Å; F48-Y783 AromaticContact CE2-CD1 3.82Å; F48-Y783 HydrophobicContact CE2-CD1 3.82Å; F48-Y783 HydrophobicContact CE2-CD2 4.43Å; F48-Y783 HydrophobicContact CE2-CE1 4.48Å; F48-Y783 AromaticContact CE2-CG 3.82Å; F48-Y783 HydrophobicContact CE2-CG 3.82Å; F48-L787 HydrophobicContact CE1-CD2 4.32Å; F48-L787 HydrophobicContact CE2-CG 4.46Å; F48-L787 HydrophobicContact CZ-CD1 3.79Å; F48-L787 HydrophobicContact CZ-CD2 3.68Å; F48-L787 HydrophobicContact CZ-CG 3.76Å
49	P	77.6	Confident	73.4	Confident	2 Å²	2	75.8 Å²	75.8	1%	0.013	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-61.2	149.3	174	-7.1	20.6	0	0	0	108.9	L51 W746 F747 F750 Y751	P49-L51 PolarHBondContact O-N 3.48Å; P49-W746 HydrophobicContact CB-CH2 3.54Å; P49-W746 HydrophobicContact CB-CZ2 3.72Å; P49-W746 HydrophobicContact CG-CH2 3.54Å; P49-W746 HydrophobicContact CG-CZ2 4.05Å; P49-W746 HydrophobicContact CG-CZ3 4.06Å; P49-F747 HydrophobicContact CG-CD1 4.11Å; P49-F747 HydrophobicContact CG-CE1 3.72Å; P49-F750 HydrophobicContact CB-CD1 3.93Å; P49-F750 HydrophobicContact CB-CD2 4.21Å; P49-F750 HydrophobicContact CB-CE1 3.68Å; P49-F750 HydrophobicContact CB-CE2 3.97Å; P49-F750 HydrophobicContact CB-CG 4.2Å; P49-F750 HydrophobicContact CB-CZ 3.71Å; P49-F750 HydrophobicContact CG-CD1 3.83Å; P49-F750 HydrophobicContact CG-CE1 3.95Å; P49-F750 HydrophobicContact CG-CG 4.25Å; P49-F750 HydrophobicContact CG-CZ 4.47Å; P49-Y751 VanDerWaalsContact CD-OH 3.22Å; P49-Y751 WeakPolarHBondContact CD-OH 3.48Å; P49-Y751 HydrophobicContact CG-CE2 3.84Å; P49-Y751 WeakPolarHBondContact CG-OH 3.3Å
50	F	83.9	Confident	76.1	Confident	166 Å²	166	73.4 Å²	73.4	73%	0.728	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-58.4	141	165.9	-68.6	-77.2	0	0	0	109.5	A52	F50-A52 PolarHBondContact O-N 2.83Å
51	L	88	Confident	78.5	Confident	60 Å²	60	72.6 Å²	72.6	31%	0.314	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-60.2	134.7	173.7	-62.9	179.7	0	0	0	108.4	F48 P49 G53 L56 H59 L787	F48-L51 HydrophobicContact CE1-CD2 3.99Å; P49-L51 PolarHBondContact O-N 3.48Å; L51-G53 WeakPolarHBondContact CB-O 3.38Å; L51-G53 PolarHBondContact O-N 3.13Å; L51-L56 HydrophobicContact CD1-CD2 4.05Å; L51-L56 HydrophobicContact CD2-CD2 4.27Å; L51-H59 HydrophobicContact CB-CB 4.22Å; L51-H59 HydrophobicContact CD2-CB 4.44Å; L51-L787 HydrophobicContact CD2-CD2 4.16Å
52	A	89	Confident	80.9	Confident	41 Å²	41	67.6 Å²	67.6	34%	0.339	33%	0.326	S	S	.	.	S	Bend	trans	-62.2	-7.4	174.1	0	0	0	0	0	114.6	F50 H59 T62 I63	F50-A52 PolarHBondContact O-N 2.83Å; A52-H59 PolarHBondContact N-ND1 2.66Å; A52-T62 HydrophobicContact CB-CG2 3.99Å; A52-I63 HydrophobicContact CB-CG2 3.72Å
53	G	88.4	Confident	83.2	Confident	17 Å²	17	60.1 Å²	60.1	18%	0.175	29%	0.291	C	S	.	.	S	Bend	trans	-140.1	171.8	177	0	0	0	0	0	111.3	L51 N55	L51-G53 WeakPolarHBondContact CB-O 3.38Å; L51-G53 PolarHBondContact O-N 3.13Å; G53-N55 PolarHBondContact O-N 2.87Å
54	T	90	Very high	85.3	Confident	120 Å²	120	55.7 Å²	55.7	74%	0.736	27%	0.272	S	S	*	.	S	Bend	trans	-71.4	-21.8	-173.9	69.9	0	0	0	0	113.4	E58	T54-E58 WeakPolarHBondContact CB-OE2 3.26Å; T54-E58 WeakPolarHBondContact CG2-OE2 3.35Å; T54-E58 PolarHBondContact N-OE2 3.12Å; T54-E58 PolarHBondContact OG1-OE1 2.97Å; T54-E58 PolarHBondContact OG1-OE2 3.22Å
55	N	92.4	Very high	87.4	Confident	63 Å²	63	59.3 Å²	59.3	34%	0.337	29%	0.289	S	S	.	.	S	Bend	trans	-144.6	173.6	178.7	61.3	72	0	0	0	110.4	G53 K57 E58 H59	G53-N55 PolarHBondContact O-N 2.87Å; N55-K57 VanDerWaalsContact C-N 3.32Å; N55-K57 PolarHBondContact O-N 2.78Å; N55-K57 WeakPolarHBondContact OD1-CB 3.39Å; N55-K57 PolarHBondContact OD1-N 2.88Å; N55-E58 PolarHBondContact ND2-OE1 3.33Å; N55-E58 PolarHBondContact O-N 3.5Å; N55-E58 PolarHBondContact OD1-N 2.92Å; N55-H59 WeakPolarHBondContact O-CB 3.18Å; N55-H59 PolarHBondContact O-N 3.25Å
56	L	93.3	Very high	89	Confident	27 Å²	27	57 Å²	57	14%	0.141	29%	0.286	C	S	.	.	H	α-helix	trans	-63.1	-34.2	-177.1	-68.8	175.6	0	0	0	113.5	L51 H59 F60 L787 A790 F791 V794	L51-L56 HydrophobicContact CD1-CD2 4.05Å; L51-L56 HydrophobicContact CD2-CD2 4.27Å; L56-H59 PolarHBondContact O-N 2.82Å; L56-F60 VanDerWaalsContact O-CD2 3.27Å; L56-F60 WeakPolarHBondContact O-CD2 3.39Å; L56-F60 PolarHBondContact O-N 2.79Å; L56-F60 VanDerWaalsContact O-N 3.08Å; L56-L787 HydrophobicContact CD2-CD2 3.67Å; L56-A790 HydrophobicContact CD1-CB 3.56Å; L56-F791 HydrophobicContact CB-CB 4.47Å; L56-F791 HydrophobicContact CB-CD2 4.27Å; L56-V794 HydrophobicContact CD1-CG2 4.26Å
57	K	93.9	Very high	90.4	Very high	105 Å²	105	51.6 Å²	51.6	46%	0.457	26%	0.264	S	S	.	.	H	α-helix	trans	-66.5	-49.7	179.1	-60.2	-174.7	171.8	-180	0	110.4	N55 F60 Q61 F791	N55-K57 VanDerWaalsContact C-N 3.32Å; N55-K57 PolarHBondContact O-N 2.78Å; N55-K57 WeakPolarHBondContact OD1-CB 3.39Å; N55-K57 PolarHBondContact OD1-N 2.88Å; K57-F60 PolarHBondContact O-N 3.24Å; K57-Q61 WeakPolarHBondContact O-CB 3.29Å; K57-Q61 PolarHBondContact O-N 3.03Å; K57-F791 HydrophobicContact CB-CE2 4.29Å; K57-F791 HydrophobicContact CG-CD2 4.41Å; K57-F791 HydrophobicContact CG-CE2 3.96Å
58	E	95.7	Very high	91.9	Very high	85 Å²	85	50.2 Å²	50.2	40%	0.397	26%	0.259	S	S	.	.	H	α-helix	trans	-61.5	-43.7	174.6	-76.1	170.2	-149.8	0	0	111.9	T54 N55 F60 Q61 T62	T54-E58 WeakPolarHBondContact CB-OE2 3.26Å; T54-E58 WeakPolarHBondContact CG2-OE2 3.35Å; T54-E58 PolarHBondContact N-OE2 3.12Å; T54-E58 PolarHBondContact OG1-OE1 2.97Å; T54-E58 PolarHBondContact OG1-OE2 3.22Å; N55-E58 PolarHBondContact ND2-OE1 3.33Å; N55-E58 PolarHBondContact O-N 3.5Å; N55-E58 PolarHBondContact OD1-N 2.92Å; E58-F60 PolarHBondContact O-N 3.4Å; E58-Q61 WeakPolarHBondContact O-CB 3.27Å; E58-Q61 PolarHBondContact O-N 2.79Å; E58-T62 WeakPolarHBondContact O-CB 3.46Å; E58-T62 PolarHBondContact O-N 3.1Å; E58-T62 PolarHBondContact O-OG1 2.86Å
59	H	96	Very high	93.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-54.2	-51.8	178.1	176.4	58.5	0	0	0	112	L51 A52 N55 L56 T62 I63 W746	L51-H59 HydrophobicContact CB-CB 4.22Å; L51-H59 HydrophobicContact CD2-CB 4.44Å; A52-H59 PolarHBondContact N-ND1 2.66Å; N55-H59 WeakPolarHBondContact O-CB 3.18Å; N55-H59 PolarHBondContact O-N 3.25Å; L56-H59 PolarHBondContact O-N 2.82Å; H59-T62 PolarHBondContact O-N 3.46Å; H59-I63 WeakPolarHBondContact O-CG1 3.45Å; H59-I63 WeakPolarHBondContact O-CG2 3.22Å; H59-I63 PolarHBondContact O-N 2.88Å; H59-W746 AromaticContact CE1-CD2 4Å; H59-W746 AromaticContact CE1-CE2 3.82Å; H59-W746 AromaticContact CE1-CE3 3.99Å; H59-W746 AromaticContact CE1-CH2 3.57Å; H59-W746 AromaticContact CE1-CZ2 3.62Å; H59-W746 AromaticContact CE1-CZ3 3.78Å; H59-W746 AromaticContact NE2-CE3 3.95Å; H59-W746 AromaticContact NE2-CH2 3.97Å; H59-W746 AromaticContact NE2-CZ3 3.75Å
60	F	97.4	Very high	94	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-68.4	-33.1	-179.7	-83.2	-65.4	0	0	0	113.3	L56 K57 E58 I63 A64 V310 V739 L787 F791	L56-F60 VanDerWaalsContact O-CD2 3.27Å; L56-F60 WeakPolarHBondContact O-CD2 3.39Å; L56-F60 PolarHBondContact O-N 2.79Å; L56-F60 VanDerWaalsContact O-N 3.08Å; K57-F60 PolarHBondContact O-N 3.24Å; E58-F60 PolarHBondContact O-N 3.4Å; F60-I63 HydrophobicContact CD1-CD1 3.79Å; F60-I63 HydrophobicContact CD1-CG1 4.44Å; F60-I63 HydrophobicContact CE1-CD1 4.03Å; F60-A64 WeakPolarHBondContact O-CB 3.4Å; F60-A64 PolarHBondContact O-N 2.79Å; F60-V310 HydrophobicContact CB-CG2 4.32Å; F60-V310 WeakPolarHBondContact O-CG2 3.41Å; F60-V739 HydrophobicContact CD1-CG1 3.83Å; F60-V739 HydrophobicContact CD2-CG1 4.45Å; F60-V739 HydrophobicContact CE1-CG1 3.31Å; F60-V739 HydrophobicContact CE2-CG1 4.02Å; F60-V739 HydrophobicContact CG-CG1 4.38Å; F60-V739 HydrophobicContact CZ-CG1 3.4Å; F60-V739 VanDerWaalsContact CZ-CG1 3.4Å; F60-L787 HydrophobicContact CE2-CB 4.27Å; F60-L787 HydrophobicContact CZ-CB 3.89Å; F60-F791 HydrophobicContact CB-CE1 4.37Å; F60-F791 HydrophobicContact CB-CE2 4.5Å; F60-F791 HydrophobicContact CB-CZ 4.28Å; F60-F791 HydrophobicContact CD2-CB 3.73Å; F60-F791 AromaticContact CD2-CD1 3.7Å; F60-F791 HydrophobicContact CD2-CD1 3.7Å; F60-F791 AromaticContact CD2-CD2 3.82Å; F60-F791 HydrophobicContact CD2-CD2 3.82Å; F60-F791 HydrophobicContact CD2-CE1 4.22Å; F60-F791 HydrophobicContact CD2-CE2 4.34Å; F60-F791 AromaticContact CD2-CG 3.47Å; F60-F791 HydrophobicContact CD2-CG 3.47Å; F60-F791 VanDerWaalsContact CD2-CG 3.47Å; F60-F791 HydrophobicContact CE2-CB 3.52Å; F60-F791 HydrophobicContact CE2-CD1 4.07Å; F60-F791 HydrophobicContact CE2-CD2 4.49Å; F60-F791 AromaticContact CE2-CG 3.8Å; F60-F791 HydrophobicContact CE2-CG 3.8Å; F60-F791 HydrophobicContact CG-CD1 4.2Å; F60-F791 HydrophobicContact CG-CE1 4.34Å; F60-F791 HydrophobicContact CG-CG 4.36Å
61	Q	97	Very high	94.6	Very high	59 Å²	59	48.8 Å²	48.8	28%	0.276	25%	0.254	S	S	.	.	H	α-helix	trans	-61.3	-53.5	170.3	-173	73.1	18.2	0	0	110.3	K57 E58 A64 E65 H308 P309	K57-Q61 WeakPolarHBondContact O-CB 3.29Å; K57-Q61 PolarHBondContact O-N 3.03Å; E58-Q61 WeakPolarHBondContact O-CB 3.27Å; E58-Q61 PolarHBondContact O-N 2.79Å; Q61-A64 PolarHBondContact O-N 2.89Å; Q61-E65 PolarHBondContact NE2-OE1 3.46Å; Q61-E65 WeakPolarHBondContact O-CB 3.32Å; Q61-E65 WeakPolarHBondContact O-CG 3.42Å; Q61-E65 PolarHBondContact O-N 2.91Å; Q61-H308 PolarHBondContact OE1-NE2 3.31Å; Q61-P309 HydrophobicContact CG-CG 4.48Å
62	T	97.2	Very high	95.1	Very high	36 Å²	36	49 Å²	49	22%	0.221	25%	0.252	C	S	.	.	H	α-helix	trans	-62.7	-50.1	-174.9	-59.8	0	0	0	0	112.6	A52 E58 H59 A64 E65 Q66	A52-T62 HydrophobicContact CB-CG2 3.99Å; E58-T62 WeakPolarHBondContact O-CB 3.46Å; E58-T62 PolarHBondContact O-N 3.1Å; E58-T62 PolarHBondContact O-OG1 2.86Å; H59-T62 PolarHBondContact O-N 3.46Å; T62-A64 VanDerWaalsContact C-N 3.27Å; T62-A64 PolarHBondContact O-N 2.92Å; T62-E65 PolarHBondContact O-N 3.16Å; T62-Q66 HydrophobicContact CG2-CG 4.36Å; T62-Q66 WeakPolarHBondContact O-CB 3.39Å; T62-Q66 VanDerWaalsContact O-CG 3.26Å; T62-Q66 WeakPolarHBondContact O-CG 3.39Å; T62-Q66 PolarHBondContact O-N 3.18Å
63	I	96.9	Very high	95.5	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-66.1	-32.9	-177.9	66.6	179.4	0	0	0	111.9	A52 H59 F60 S67 V742 W746	A52-I63 HydrophobicContact CB-CG2 3.72Å; H59-I63 WeakPolarHBondContact O-CG1 3.45Å; H59-I63 WeakPolarHBondContact O-CG2 3.22Å; H59-I63 PolarHBondContact O-N 2.88Å; F60-I63 HydrophobicContact CD1-CD1 3.79Å; F60-I63 HydrophobicContact CD1-CG1 4.44Å; F60-I63 HydrophobicContact CE1-CD1 4.03Å; I63-S67 WeakPolarHBondContact O-CB 3.32Å; I63-S67 PolarHBondContact O-N 2.8Å; I63-S67 VanDerWaalsContact O-N 3.16Å; I63-S67 PolarHBondContact O-OG 3.48Å; I63-V742 HydrophobicContact CD1-CG1 3.89Å; I63-V742 HydrophobicContact CG1-CG1 3.74Å; I63-W746 HydrophobicContact CB-CB 4.29Å; I63-W746 HydrophobicContact CB-CG 4.21Å; I63-W746 HydrophobicContact CD1-CB 4.11Å; I63-W746 HydrophobicContact CD1-CG 4.35Å; I63-W746 HydrophobicContact CG2-CB 4.38Å; I63-W746 HydrophobicContact CG2-CD2 4.17Å; I63-W746 HydrophobicContact CG2-CG 3.79Å
64	A	97.5	Very high	96	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-73.3	-42.7	177.2	0	0	0	0	0	111.4	F60 Q61 T62 S67 S68 P309 V310 V742	F60-A64 WeakPolarHBondContact O-CB 3.4Å; F60-A64 PolarHBondContact O-N 2.79Å; Q61-A64 PolarHBondContact O-N 2.89Å; T62-A64 VanDerWaalsContact C-N 3.27Å; T62-A64 PolarHBondContact O-N 2.92Å; A64-S67 PolarHBondContact O-N 3.24Å; A64-S68 VanDerWaalsContact O-CB 3.22Å; A64-S68 WeakPolarHBondContact O-CB 3.49Å; A64-S68 PolarHBondContact O-N 3.35Å; A64-S68 PolarHBondContact O-OG 2.97Å; A64-P309 HydrophobicContact CB-CB 3.85Å; A64-P309 HydrophobicContact CB-CG 3.84Å; A64-V310 HydrophobicContact CB-CB 4.35Å; A64-V310 HydrophobicContact CB-CG2 3.6Å; A64-V742 HydrophobicContact CB-CG1 4.02Å
65	E	96.9	Very high	96.4	Very high	81 Å²	81	43.8 Å²	43.8	38%	0.379	21%	0.211	S	C	.	.	H	α-helix	trans	-60.7	-50.6	173.6	-76.2	174.5	168.9	0	0	110.9	Q61 T62 S67 S68 Q69 P309	Q61-E65 PolarHBondContact NE2-OE1 3.46Å; Q61-E65 WeakPolarHBondContact O-CB 3.32Å; Q61-E65 WeakPolarHBondContact O-CG 3.42Å; Q61-E65 PolarHBondContact O-N 2.91Å; T62-E65 PolarHBondContact O-N 3.16Å; E65-S67 PolarHBondContact O-N 2.93Å; E65-S68 PolarHBondContact O-N 3.17Å; E65-S68 VanDerWaalsContact O-N 3.11Å; E65-Q69 WeakPolarHBondContact O-CA 3.28Å; E65-Q69 WeakPolarHBondContact O-CB 3.24Å; E65-Q69 PolarHBondContact O-N 3.45Å; E65-P309 HydrophobicContact CG-CB 4.11Å; E65-P309 HydrophobicContact CG-CG 3.9Å
66	Q	95.3	Very high	96.7	Very high	133 Å²	133	44.1 Å²	44.1	62%	0.621	21%	0.211	S	C	*	.	H	α-helix	trans	-54.4	-41.1	177.9	-74.1	174.6	-6.2	0	0	112.2	T62	T62-Q66 HydrophobicContact CG2-CG 4.36Å; T62-Q66 WeakPolarHBondContact O-CB 3.39Å; T62-Q66 VanDerWaalsContact O-CG 3.26Å; T62-Q66 WeakPolarHBondContact O-CG 3.39Å; T62-Q66 PolarHBondContact O-N 3.18Å
67	S	94.1	Very high	96.8	Very high	14 Å²	14	48.4 Å²	48.4	10%	0.098	23%	0.23	C	C	.	.	H	α-helix	trans	-77.9	-28.1	-179.6	-62.6	0	0	0	0	114.2	I63 A64 E65	I63-S67 WeakPolarHBondContact O-CB 3.32Å; I63-S67 PolarHBondContact O-N 2.8Å; I63-S67 VanDerWaalsContact O-N 3.16Å; I63-S67 PolarHBondContact O-OG 3.48Å; A64-S67 PolarHBondContact O-N 3.24Å; E65-S67 PolarHBondContact O-N 2.93Å
68	S	96.9	Very high	97	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-109.2	-18.4	-170.3	67.2	0	0	0	0	115.2	A64 E65 K70 Y71 K72	A64-S68 VanDerWaalsContact O-CB 3.22Å; A64-S68 WeakPolarHBondContact O-CB 3.49Å; A64-S68 PolarHBondContact O-N 3.35Å; A64-S68 PolarHBondContact O-OG 2.97Å; E65-S68 PolarHBondContact O-N 3.17Å; E65-S68 VanDerWaalsContact O-N 3.11Å; S68-K70 VanDerWaalsContact C-N 3.3Å; S68-K70 PolarHBondContact O-N 3.3Å; S68-Y71 PolarHBondContact O-N 2.93Å; S68-Y71 VanDerWaalsContact O-N 3.1Å; S68-K72 PolarHBondContact O-N 3.4Å
69	Q	96.7	Very high	97.1	Very high	87 Å²	87	40.3 Å²	40.3	41%	0.407	20%	0.197	S	C	.	.	H	α-helix	trans	-58.8	-39.8	-169.6	-176.8	60.5	27.1	0	0	112.7	E65 K72 T73	E65-Q69 WeakPolarHBondContact O-CA 3.28Å; E65-Q69 WeakPolarHBondContact O-CB 3.24Å; E65-Q69 PolarHBondContact O-N 3.45Å; Q69-K72 PolarHBondContact O-N 3.2Å; Q69-T73 PolarHBondContact NE2-OG1 3.04Å; Q69-T73 WeakPolarHBondContact O-CB 3.09Å; Q69-T73 PolarHBondContact O-N 3.37Å; Q69-T73 PolarHBondContact O-OG1 3.12Å
70	K	96.8	Very high	97.1	Very high	91 Å²	91	48.4 Å²	48.4	40%	0.396	23%	0.232	S	C	.	.	H	α-helix	trans	-65.8	-44	178.6	-174.1	163.5	171.3	-174.8	0	111.7	S68 T73 L74 E171	S68-K70 VanDerWaalsContact C-N 3.3Å; S68-K70 PolarHBondContact O-N 3.3Å; K70-T73 PolarHBondContact O-N 2.89Å; K70-L74 WeakPolarHBondContact O-CG 3.4Å; K70-L74 PolarHBondContact O-N 3.33Å; K70-E171 HydrophobicContact CB-CG 4.49Å; K70-E171 HydrophobicContact CD-CB 3.75Å; K70-E171 HydrophobicContact CD-CG 3.91Å; K70-E171 VanDerWaalsContact CD-OE2 3.29Å; K70-E171 WeakPolarHBondContact CD-OE2 3.26Å; K70-E171 VanDerWaalsContact CE-OE2 3.29Å; K70-E171 WeakPolarHBondContact CE-OE2 3.29Å; K70-E171 HydrophobicContact CG-CB 4.02Å; K70-E171 HydrophobicContact CG-CG 4.4Å; K70-E171 IonicContact NZ-OE2 2.67Å; K70-E171 PolarHBondContact NZ-OE2 3.22Å
71	Y	98.3	Very high	96.9	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.008	25%	0.245	C	C	.	.	H	α-helix	trans	-62.8	-43.6	175.1	-59.3	-69.2	0	0	0	111.7	S68 T73 L74 L75 E171 I173 K196 R198 L316	S68-Y71 PolarHBondContact O-N 2.93Å; S68-Y71 VanDerWaalsContact O-N 3.1Å; Y71-T73 VanDerWaalsContact C-N 3.34Å; Y71-T73 PolarHBondContact O-N 3.47Å; Y71-L74 PolarHBondContact O-N 3.27Å; Y71-L75 VanDerWaalsContact O-CG 3.32Å; Y71-L75 WeakPolarHBondContact O-CG 3.29Å; Y71-L75 PolarHBondContact O-N 2.93Å; Y71-E171 HydrophobicContact CD1-CB 4.3Å; Y71-E171 HydrophobicContact CE1-CB 3.69Å; Y71-E171 HydrophobicContact CE1-CG 4.23Å; Y71-E171 HydrophobicContact CE2-CG 4.3Å; Y71-I173 HydrophobicContact CD1-CB 4.23Å; Y71-I173 HydrophobicContact CD1-CD1 4.38Å; Y71-K196 WeakPolarHBondContact CE1-O 3.32Å; Y71-K196 PolarHBondContact OH-O 2.85Å; Y71-R198 HydrophobicContact CD1-CB 4.15Å; Y71-R198 HydrophobicContact CD1-CG 4.3Å; Y71-R198 HydrophobicContact CE1-CB 3.83Å; Y71-R198 HydrophobicContact CE1-CG 3.63Å; Y71-R198 HydrophobicContact CE2-CG 4.03Å; Y71-R198 VanDerWaalsContact CZ-CG 3.48Å; Y71-L316 HydrophobicContact CD2-CD1 3.87Å; Y71-L316 HydrophobicContact CG-CD1 3.93Å
72	K	97.7	Very high	96.6	Very high	65 Å²	65	56.6 Å²	56.6	28%	0.283	27%	0.271	S	S	.	.	H	α-helix	trans	-58.4	-46.7	175.6	-177.9	177.6	174	-177.8	0	111.5	S68 Q69 L74 L75 E76 W303 F312	S68-K72 PolarHBondContact O-N 3.4Å; Q69-K72 PolarHBondContact O-N 3.2Å; K72-L74 PolarHBondContact O-N 2.84Å; K72-L75 PolarHBondContact O-N 3.07Å; K72-E76 WeakPolarHBondContact CE-OE1 3.44Å; K72-E76 HydrophobicContact CG-CG 4.43Å; K72-E76 WeakPolarHBondContact O-CG 3.26Å; K72-E76 PolarHBondContact O-N 3.29Å; K72-W303 HydrophobicContact CG-CH2 4.46Å; K72-W303 HydrophobicContact CG-CZ2 4.23Å; K72-F312 HydrophobicContact CB-CE1 4.02Å
73	T	98	Very high	96.2	Very high	44 Å²	44	56.6 Å²	56.6	27%	0.27	27%	0.271	S	S	.	.	H	α-helix	trans	-61.4	-43.5	178.8	-56	0	0	0	0	111.5	Q69 K70 Y71 L75 E76 Q77	Q69-T73 PolarHBondContact NE2-OG1 3.04Å; Q69-T73 WeakPolarHBondContact O-CB 3.09Å; Q69-T73 PolarHBondContact O-N 3.37Å; Q69-T73 PolarHBondContact O-OG1 3.12Å; K70-T73 PolarHBondContact O-N 2.89Å; Y71-T73 VanDerWaalsContact C-N 3.34Å; Y71-T73 PolarHBondContact O-N 3.47Å; T73-L75 PolarHBondContact O-N 3.48Å; T73-E76 PolarHBondContact O-N 2.94Å; T73-Q77 HydrophobicContact CG2-CG 4.36Å; T73-Q77 WeakPolarHBondContact O-CB 2.96Å; T73-Q77 VanDerWaalsContact O-CG 3.26Å; T73-Q77 WeakPolarHBondContact O-CG 3.38Å; T73-Q77 PolarHBondContact O-N 3.46Å
74	L	98.1	Very high	95.8	Very high	24 Å²	24	57.9 Å²	57.9	13%	0.126	28%	0.279	C	S	.	.	H	α-helix	trans	-59.6	-44.9	175.9	-74.2	173.1	0	0	0	111.8	K70 Y71 K72 F78 D115 A116 I173	K70-L74 WeakPolarHBondContact O-CG 3.4Å; K70-L74 PolarHBondContact O-N 3.33Å; Y71-L74 PolarHBondContact O-N 3.27Å; K72-L74 PolarHBondContact O-N 2.84Å; L74-F78 VanDerWaalsContact O-CB 3.26Å; L74-F78 WeakPolarHBondContact O-CB 3.49Å; L74-F78 PolarHBondContact O-N 3.47Å; L74-D115 HydrophobicContact CD1-CB 3.99Å; L74-D115 HydrophobicContact CD2-CB 3.72Å; L74-A116 HydrophobicContact CB-CB 4.39Å; L74-I173 HydrophobicContact CB-CG2 3.96Å; L74-I173 HydrophobicContact CD1-CG2 4.34Å
75	L	98.3	Very high	95.4	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-63.7	-47.2	177.1	-67.1	169.4	0	0	0	111.9	Y71 K72 T73 Q77 F78 A79 I173 I175 W200 F295 M299 F312	Y71-L75 VanDerWaalsContact O-CG 3.32Å; Y71-L75 WeakPolarHBondContact O-CG 3.29Å; Y71-L75 PolarHBondContact O-N 2.93Å; K72-L75 PolarHBondContact O-N 3.07Å; T73-L75 PolarHBondContact O-N 3.48Å; L75-Q77 VanDerWaalsContact C-N 3.33Å; L75-Q77 PolarHBondContact O-N 3.5Å; L75-F78 PolarHBondContact O-N 2.99Å; L75-A79 VanDerWaalsContact O-CB 3.28Å; L75-A79 WeakPolarHBondContact O-CB 3.34Å; L75-A79 PolarHBondContact O-N 3.16Å; L75-I173 HydrophobicContact CD1-CD1 3.73Å; L75-I173 HydrophobicContact CD2-CD1 3.79Å; L75-I173 HydrophobicContact CD2-CG1 4.07Å; L75-I173 HydrophobicContact CD2-CG2 3.99Å; L75-I173 HydrophobicContact CG-CD1 3.81Å; L75-I173 HydrophobicContact CG-CG2 4.28Å; L75-I175 HydrophobicContact CD2-CD1 3.86Å; L75-I175 HydrophobicContact CD2-CG1 3.91Å; L75-W200 HydrophobicContact CD1-CD2 4.24Å; L75-W200 HydrophobicContact CD1-CE3 3.37Å; L75-W200 HydrophobicContact CD1-CZ3 3.63Å; L75-W200 HydrophobicContact CD2-CB 4.49Å; L75-F295 HydrophobicContact CB-CE2 4.3Å; L75-F295 HydrophobicContact CB-CZ 4Å; L75-F295 HydrophobicContact CD2-CE2 3.7Å; L75-F295 HydrophobicContact CD2-CZ 3.76Å; L75-F295 HydrophobicContact CG-CE2 4.47Å; L75-F295 HydrophobicContact CG-CZ 4.47Å; L75-M299 HydrophobicContact CB-SD 3.98Å; L75-F312 HydrophobicContact CD1-CE2 4.13Å; L75-F312 HydrophobicContact CD1-CZ 3.73Å
76	E	97.8	Very high	94.9	Very high	70 Å²	70	64.2 Å²	64.2	33%	0.327	31%	0.31	S	S	.	.	H	α-helix	trans	-65.2	-36.1	-179.3	-73.5	176.1	169.6	0	0	112.6	K72 T73 K80 M299	K72-E76 WeakPolarHBondContact CE-OE1 3.44Å; K72-E76 HydrophobicContact CG-CG 4.43Å; K72-E76 WeakPolarHBondContact O-CG 3.26Å; K72-E76 PolarHBondContact O-N 3.29Å; T73-E76 PolarHBondContact O-N 2.94Å; E76-K80 WeakPolarHBondContact O-CG 3.37Å; E76-M299 HydrophobicContact CG-CE 4.45Å; E76-M299 HydrophobicContact CG-SD 4.4Å
77	Q	97.4	Very high	94.3	Very high	116 Å²	116	60 Å²	60	54%	0.542	29%	0.291	S	S	.	.	H	α-helix	trans	-69.2	-45.9	173.5	-73	176.1	-0.8	0	0	111	T73 L75 A79 K80	T73-Q77 HydrophobicContact CG2-CG 4.36Å; T73-Q77 WeakPolarHBondContact O-CB 2.96Å; T73-Q77 VanDerWaalsContact O-CG 3.26Å; T73-Q77 WeakPolarHBondContact O-CG 3.38Å; T73-Q77 PolarHBondContact O-N 3.46Å; L75-Q77 VanDerWaalsContact C-N 3.33Å; L75-Q77 PolarHBondContact O-N 3.5Å; Q77-A79 VanDerWaalsContact C-N 3.34Å; Q77-A79 PolarHBondContact O-N 2.61Å; Q77-K80 WeakPolarHBondContact O-CB 3.32Å; Q77-K80 PolarHBondContact O-N 2.76Å
78	F	97.7	Very high	93.6	Very high	5 Å²	5	65.3 Å²	65.3	2%	0.022	33%	0.325	C	S	.	.	H	α-helix	trans	-67	-35.4	-178.3	-172.6	-146.3	0	0	0	112.5	L74 L75 K80 C81 A116 V118 M137 S138 I175 F292 F295	L74-F78 VanDerWaalsContact O-CB 3.26Å; L74-F78 WeakPolarHBondContact O-CB 3.49Å; L74-F78 PolarHBondContact O-N 3.47Å; L75-F78 PolarHBondContact O-N 2.99Å; F78-K80 PolarHBondContact O-N 3.37Å; F78-K80 VanDerWaalsContact O-N 3.12Å; F78-C81 HydrophobicContact CD2-CB 4.42Å; F78-C81 VanDerWaalsContact O-CB 3.29Å; F78-C81 WeakPolarHBondContact O-CB 3.37Å; F78-C81 PolarHBondContact O-N 2.97Å; F78-A116 HydrophobicContact CB-CB 3.87Å; F78-A116 HydrophobicContact CD1-CB 3.85Å; F78-A116 HydrophobicContact CG-CB 3.94Å; F78-V118 HydrophobicContact CE1-CG2 3.64Å; F78-V118 HydrophobicContact CZ-CG2 3.98Å; F78-M137 HydrophobicContact CE2-CE 4.24Å; F78-M137 HydrophobicContact CZ-CE 3.86Å; F78-M137 WeakPolarHBondContact CZ-O 3.33Å; F78-S138 VanDerWaalsContact CE2-C 3.45Å; F78-I175 HydrophobicContact CD1-CD1 3.85Å; F78-I175 HydrophobicContact CE1-CD1 3.97Å; F78-F292 HydrophobicContact CD1-CD2 4.46Å; F78-F292 HydrophobicContact CD1-CE2 4.06Å; F78-F292 AromaticContact CD2-CE2 3.99Å; F78-F292 HydrophobicContact CD2-CE2 3.99Å; F78-F292 AromaticContact CE1-CD2 3.92Å; F78-F292 HydrophobicContact CE1-CD2 3.92Å; F78-F292 AromaticContact CE1-CE2 3.88Å; F78-F292 HydrophobicContact CE1-CE2 3.88Å; F78-F292 HydrophobicContact CE2-CD2 4.33Å; F78-F292 AromaticContact CE2-CE2 3.77Å; F78-F292 HydrophobicContact CE2-CE2 3.77Å; F78-F292 HydrophobicContact CG-CE2 4.12Å; F78-F292 AromaticContact CZ-CD2 3.84Å; F78-F292 HydrophobicContact CZ-CD2 3.84Å; F78-F292 AromaticContact CZ-CE2 3.72Å; F78-F292 HydrophobicContact CZ-CE2 3.72Å; F78-F292 WeakPolarHBondContact O-CZ 3.27Å; F78-F295 HydrophobicContact CD1-CE1 4.43Å
79	A	97	Very high	93.3	Very high	16 Å²	16	72.1 Å²	72.1	13%	0.132	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-14.8	177.1	0	0	0	0	0	114.4	L75 Q77 C81 F295 V296 M299	L75-A79 VanDerWaalsContact O-CB 3.28Å; L75-A79 WeakPolarHBondContact O-CB 3.34Å; L75-A79 PolarHBondContact O-N 3.16Å; Q77-A79 VanDerWaalsContact C-N 3.34Å; Q77-A79 PolarHBondContact O-N 2.61Å; A79-C81 VanDerWaalsContact C-N 3.31Å; A79-F295 HydrophobicContact CB-CE1 3.89Å; A79-F295 HydrophobicContact CB-CZ 4.1Å; A79-V296 HydrophobicContact CB-CG2 4.2Å; A79-M299 HydrophobicContact CB-CE 3.44Å; A79-M299 VanDerWaalsContact CB-CE 3.44Å; A79-M299 HydrophobicContact CB-SD 4.13Å
80	K	96.3	Very high	93.2	Very high	170 Å²	170	68.1 Å²	68.1	74%	0.739	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-15.5	174.7	-65.2	171.1	-174.1	178.2	0	112.7	E76 Q77 F78	E76-K80 WeakPolarHBondContact O-CG 3.37Å; Q77-K80 WeakPolarHBondContact O-CB 3.32Å; Q77-K80 PolarHBondContact O-N 2.76Å; F78-K80 PolarHBondContact O-N 3.37Å; F78-K80 VanDerWaalsContact O-N 3.12Å
81	C	94.2	Very high	93	Very high	41 Å²	41	65.5 Å²	65.5	28%	0.277	33%	0.331	S	S	.	.	S	Bend	trans	-70.8	155.6	177.6	-62.3	0	0	0	0	111.1	F78 A79 S139 F292	F78-C81 HydrophobicContact CD2-CB 4.42Å; F78-C81 VanDerWaalsContact O-CB 3.29Å; F78-C81 WeakPolarHBondContact O-CB 3.37Å; F78-C81 PolarHBondContact O-N 2.97Å; A79-C81 VanDerWaalsContact C-N 3.31Å; C81-S139 VanDerWaalsContact SG-CB 3.54Å; C81-F292 HydrophobicContact CB-CZ 4.08Å; C81-F292 WeakPolarHBondContact O-CE1 3.23Å; C81-F292 WeakPolarHBondContact O-CZ 3.44Å
82	K	89.1	Confident	92.6	Very high	189 Å²	189	71.1 Å²	71.1	82%	0.822	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-98.1	152.3	170.4	-67.1	-175.8	179.8	-179.9	0	109.4	P84	K82-P84 VanDerWaalsContact O-CD 3.32Å; K82-P84 WeakPolarHBondContact O-CD 3.37Å
83	V	89.1	Confident	92.3	Very high	37 Å²	37	70.8 Å²	70.8	22%	0.224	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-61.8	117.9	169.4	179.7	0	0	0	0	107.9	A289 F292 E293	V83-A289 HydrophobicContact CG1-CB 3.7Å; V83-F292 HydrophobicContact CG2-CD1 3.57Å; V83-F292 HydrophobicContact CG2-CE1 4.2Å; V83-E293 HydrophobicContact CG2-CG 3.75Å
84	P	88.9	Confident	91.9	Very high	27 Å²	27	72 Å²	72	18%	0.175	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-70.7	164.2	175.9	34.2	-39.4	0	0	0	110.4	K82 I86 F101 M137 W142	K82-P84 VanDerWaalsContact O-CD 3.32Å; K82-P84 WeakPolarHBondContact O-CD 3.37Å; P84-I86 PolarHBondContact O-N 2.77Å; P84-F101 HydrophobicContact CB-CD1 4.02Å; P84-F101 HydrophobicContact CB-CD2 4.48Å; P84-F101 HydrophobicContact CB-CE1 3.83Å; P84-F101 HydrophobicContact CB-CE2 4.3Å; P84-F101 HydrophobicContact CB-CG 4.37Å; P84-F101 HydrophobicContact CB-CZ 4.01Å; P84-F101 HydrophobicContact CG-CD1 4.29Å; P84-F101 HydrophobicContact CG-CE1 3.58Å; P84-F101 HydrophobicContact CG-CE2 4.13Å; P84-F101 HydrophobicContact CG-CZ 3.52Å; P84-M137 WeakPolarHBondContact CD-SD 3.45Å; P84-M137 HydrophobicContact CG-CG 4.41Å; P84-M137 HydrophobicContact CG-SD 4.02Å; P84-W142 HydrophobicContact CG-CZ2 3.74Å; P84-W142 VanDerWaalsContact CG-NE1 3.34Å
85	Q	88	Confident	91.6	Very high	177 Å²	177	72 Å²	72	83%	0.827	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-62.4	138.8	171.8	-168.9	175.6	-2.3	0	0	110.2	W142	Q85-W142 PolarHBondContact O-NE1 2.98Å
86	I	87.8	Confident	91.4	Very high	37 Å²	37	72.1 Å²	72.1	19%	0.19	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-72.1	137.8	174.8	-61	178	0	0	0	108.7	P84 W90 W142 T282 A285 M286	P84-I86 PolarHBondContact O-N 2.77Å; I86-W90 HydrophobicContact CG2-CZ2 4.14Å; I86-W142 HydrophobicContact CG1-CZ2 4.41Å; I86-T282 HydrophobicContact CG2-CG2 4.07Å; I86-A285 HydrophobicContact CG2-CB 4.01Å; I86-M286 HydrophobicContact CD1-CB 4.28Å; I86-M286 HydrophobicContact CD1-CG 3.39Å
87	L	83.2	Confident	91.3	Very high	45 Å²	45	69 Å²	69	24%	0.236	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-68.3	143.3	-177.9	-61.8	169.6	0	0	0	111	E89 W90 Y99 W142	L87-E89 VanDerWaalsContact C-N 3.34Å; L87-W90 HydrophobicContact CB-CZ2 4.17Å; L87-W90 HydrophobicContact CD1-CE3 4.22Å; L87-W90 HydrophobicContact CD1-CH2 4.09Å; L87-W90 HydrophobicContact CD1-CZ2 4.48Å; L87-W90 HydrophobicContact CD1-CZ3 3.95Å; L87-Y99 HydrophobicContact CD1-CD1 3.53Å; L87-Y99 HydrophobicContact CD1-CD2 3.91Å; L87-Y99 HydrophobicContact CD1-CE1 4.18Å; L87-Y99 HydrophobicContact CD1-CG 3.39Å; L87-W142 HydrophobicContact CD1-CB 4.13Å; L87-W142 HydrophobicContact CD1-CG 4.44Å
88	P	78.8	Confident	91.3	Very high	125 Å²	125	65.3 Å²	65.3	81%	0.812	34%	0.342	S	S	*	.	S	Bend	trans	-75.3	-24.5	176.4	30.3	-34.4	0	0	0	112.8
89	E	91.4	Very high	91.2	Very high	146 Å²	146	65.8 Å²	65.8	68%	0.682	34%	0.344	S	S	*	.			trans	-143.3	135.3	-175.6	-169.1	178	-175.8	0	0	111.1	L87	L87-E89 VanDerWaalsContact C-N 3.34Å
90	W	93.8	Very high	91	Very high	4 Å²	4	67.6 Å²	67.6	2%	0.015	36%	0.355	C	S	.	.			trans	-113.4	139.6	-179.2	-59.7	88.4	0	0	0	110.8	I86 L87 F92 Y99 T135 W142 F277 Q278 M281 T282 A285	I86-W90 HydrophobicContact CG2-CZ2 4.14Å; L87-W90 HydrophobicContact CB-CZ2 4.17Å; L87-W90 HydrophobicContact CD1-CE3 4.22Å; L87-W90 HydrophobicContact CD1-CH2 4.09Å; L87-W90 HydrophobicContact CD1-CZ2 4.48Å; L87-W90 HydrophobicContact CD1-CZ3 3.95Å; W90-F92 PolarHBondContact O-N 3.21Å; W90-Y99 HydrophobicContact CE3-CD2 4.48Å; W90-Y99 AromaticContact CE3-CE2 3.89Å; W90-Y99 HydrophobicContact CE3-CE2 3.89Å; W90-Y99 HydrophobicContact CZ3-CD2 4.3Å; W90-Y99 HydrophobicContact CZ3-CE2 4.07Å; W90-T135 HydrophobicContact CH2-CG2 4.37Å; W90-W142 HydrophobicContact CH2-CB 4.26Å; W90-W142 HydrophobicContact CH2-CD2 4.23Å; W90-W142 HydrophobicContact CH2-CE3 4.24Å; W90-W142 HydrophobicContact CH2-CG 4.23Å; W90-W142 HydrophobicContact CZ3-CB 4.26Å; W90-F277 HydrophobicContact CB-CE1 4.06Å; W90-Q278 PolarHBondContact O-NE2 2.97Å; W90-M281 HydrophobicContact CB-CB 4.14Å; W90-M281 HydrophobicContact CB-CG 4.24Å; W90-M281 HydrophobicContact CD2-CB 4.14Å; W90-M281 HydrophobicContact CD2-CE 4.15Å; W90-M281 HydrophobicContact CE3-CE 3.98Å; W90-M281 HydrophobicContact CG-CB 3.7Å; W90-M281 HydrophobicContact CG-CG 4.29Å; W90-M281 HydrophobicContact CZ3-CE 4.41Å; W90-T282 PolarHBondContact NE1-OG1 3.34Å; W90-A285 HydrophobicContact CH2-CB 3.8Å; W90-A285 HydrophobicContact CZ2-CB 3.45Å; W90-A285 VanDerWaalsContact CZ2-CB 3.45Å
91	S	92.1	Very high	90.8	Very high	35 Å²	35	63.1 Å²	63.1	25%	0.245	34%	0.336	C	S	.	.			trans	-68.4	124.5	174.8	-172.8	0	0	0	0	111.2	T93 Y99	S91-T93 VanDerWaalsContact C-N 3.31Å; S91-T93 PolarHBondContact O-N 3.43Å; S91-T93 WeakPolarHBondContact OG-CG2 3.28Å; S91-T93 PolarHBondContact OG-OG1 3.35Å; S91-Y99 WeakPolarHBondContact CB-OH 3.44Å; S91-Y99 PolarHBondContact N-OH 2.59Å
92	F	91.1	Very high	90.5	Very high	121 Å²	121	67.2 Å²	67.2	53%	0.531	36%	0.364	S	S	.	.			trans	-92.2	62.7	173	-170.1	-145.9	0	0	0	111.3	W90 R274 F277	W90-F92 PolarHBondContact O-N 3.21Å; F92-R274 HydrophobicContact CZ-CG 4.06Å; F92-F277 HydrophobicContact CB-CD1 3.91Å; F92-F277 HydrophobicContact CB-CE1 3.65Å; F92-F277 HydrophobicContact CB-CZ 4.04Å; F92-F277 HydrophobicContact CD2-CD1 4.16Å; F92-F277 AromaticContact CD2-CD2 3.62Å; F92-F277 HydrophobicContact CD2-CD2 3.62Å; F92-F277 HydrophobicContact CD2-CE1 4.01Å; F92-F277 AromaticContact CD2-CE2 3.44Å; F92-F277 HydrophobicContact CD2-CE2 3.44Å; F92-F277 VanDerWaalsContact CD2-CE2 3.44Å; F92-F277 AromaticContact CD2-CG 3.98Å; F92-F277 HydrophobicContact CD2-CG 3.98Å; F92-F277 AromaticContact CD2-CZ 3.65Å; F92-F277 HydrophobicContact CD2-CZ 3.65Å; F92-F277 AromaticContact CE2-CD2 3.86Å; F92-F277 HydrophobicContact CE2-CD2 3.86Å; F92-F277 AromaticContact CE2-CE2 3.93Å; F92-F277 HydrophobicContact CE2-CE2 3.93Å; F92-F277 HydrophobicContact CE2-CG 4.43Å; F92-F277 HydrophobicContact CG-CD1 4.11Å; F92-F277 HydrophobicContact CG-CD2 4.32Å; F92-F277 HydrophobicContact CG-CE1 4.11Å; F92-F277 HydrophobicContact CG-CE2 4.31Å; F92-F277 HydrophobicContact CG-CG 4.22Å; F92-F277 HydrophobicContact CG-CZ 4.21Å
93	T	90.1	Very high	90.3	Very high	58 Å²	58	60.4 Å²	60.4	36%	0.356	35%	0.347	S	S	.	.			trans	-121.4	136.9	-179.6	48.2	0	0	0	0	111.1	S91 T97 C146	S91-T93 VanDerWaalsContact C-N 3.31Å; S91-T93 PolarHBondContact O-N 3.43Å; S91-T93 WeakPolarHBondContact OG-CG2 3.28Å; S91-T93 PolarHBondContact OG-OG1 3.35Å; T93-T97 PolarHBondContact OG1-OG1 3.02Å; T93-C146 WeakPolarHBondContact O-CB 3.46Å
94	P	90.1	Very high	90.1	Very high	69 Å²	69	62.2 Å²	62.2	45%	0.448	37%	0.374	S	S	.	.	S	Bend	trans	-60.5	140.5	178.8	-25.1	34.5	0	0	0	113.7	C146 R148	P94-C146 CarbonylContact C-O 3.07Å; P94-C146 WeakPolarHBondContact CA-O 3.25Å; P94-R148 HydrophobicContact CB-CB 3.97Å; P94-R148 HydrophobicContact CB-CG 3.77Å; P94-R148 HydrophobicContact CG-CB 4.48Å; P94-R148 HydrophobicContact CG-CG 4.01Å
95	G	91.4	Very high	90.1	Very high	25 Å²	25	66.6 Å²	66.6	26%	0.258	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	90.9	-168.1	-177.4	0	0	0	0	0	112.7	W145 C146	G95-W145 WeakPolarHBondContact O-CA 3.34Å; G95-C146 PolarHBondContact N-O 3.41Å; G95-C146 PolarHBondContact O-N 3.06Å
96	W	94.5	Very high	90.4	Very high	2 Å²	2	61.5 Å²	61.5	1%	0.008	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	138.7	179.8	-74.8	107.8	0	0	0	111.6	S108 V109 P112 F119 A136 S144 W145 I155 P156 L157	W96-S108 WeakPolarHBondContact O-CA 3.39Å; W96-S108 PolarHBondContact O-OG 3.34Å; W96-V109 HydrophobicContact CB-CG2 3.69Å; W96-V109 WeakPolarHBondContact CB-O 3.29Å; W96-V109 PolarHBondContact O-N 2.89Å; W96-P112 HydrophobicContact CD2-CG 4.26Å; W96-P112 HydrophobicContact CE3-CG 4.33Å; W96-P112 HydrophobicContact CH2-CG 4.18Å; W96-P112 HydrophobicContact CZ2-CG 4.12Å; W96-P112 HydrophobicContact CZ3-CG 4.29Å; W96-F119 HydrophobicContact CH2-CD2 4.06Å; W96-F119 AromaticContact CH2-CE2 3.67Å; W96-F119 HydrophobicContact CH2-CE2 3.67Å; W96-F119 AromaticContact CZ2-CE2 3.96Å; W96-F119 HydrophobicContact CZ2-CE2 3.96Å; W96-A136 HydrophobicContact CH2-CB 4.04Å; W96-A136 HydrophobicContact CZ3-CB 4.12Å; W96-S144 CarbonylContact C-O 3.54Å; W96-S144 WeakPolarHBondContact CA-O 3.45Å; W96-W145 AromaticContact CD1-CD1 3.58Å; W96-W145 HydrophobicContact CD2-CB 3.74Å; W96-W145 AromaticContact CD2-CD1 3.8Å; W96-W145 HydrophobicContact CD2-CG 4.16Å; W96-W145 AromaticContact CE2-CD1 3.76Å; W96-W145 HydrophobicContact CE3-CB 3.67Å; W96-W145 HydrophobicContact CG-CB 4.41Å; W96-W145 AromaticContact CG-CD1 3.71Å; W96-W145 HydrophobicContact CG-CG 4.47Å; W96-W145 HydrophobicContact CH2-CB 4.07Å; W96-W145 HydrophobicContact CZ2-CB 4.12Å; W96-W145 HydrophobicContact CZ3-CB 3.84Å; W96-W145 AromaticContact NE1-CD1 3.6Å; W96-I155 HydrophobicContact CH2-CG2 4.41Å; W96-I155 HydrophobicContact CZ2-CG2 3.4Å; W96-P156 PolarHBondContact NE1-O 3.39Å; W96-L157 HydrophobicContact CH2-CD2 4.28Å; W96-L157 HydrophobicContact CZ2-CD2 3.62Å
97	T	95.8	Very high	90.7	Very high	3 Å²	3	64.6 Å²	64.6	2%	0.018	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	129.7	169.9	-51.9	0	0	0	0	108.8	T93 Y99 P106 I107 Y143 S144	T93-T97 PolarHBondContact OG1-OG1 3.02Å; T97-Y99 HydrophobicContact CG2-CE1 4.15Å; T97-Y99 HydrophobicContact CG2-CE2 3.95Å; T97-Y99 WeakPolarHBondContact O-CE2 3.29Å; T97-P106 HydrophobicContact CG2-CB 3.54Å; T97-I107 CarbonylContact C-O 3.56Å; T97-I107 WeakPolarHBondContact CA-O 3.37Å; T97-Y143 VanDerWaalsContact O-CA 3.27Å; T97-Y143 WeakPolarHBondContact O-CA 3.43Å; T97-S144 PolarHBondContact N-O 3.05Å; T97-S144 PolarHBondContact O-N 2.9Å
98	K	96.1	Very high	91.3	Very high	39 Å²	39	66.7 Å²	66.7	17%	0.17	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	135.3	178.5	-178.9	176	-171.7	167.5	0	110.4	P106 I107 V109 D113 E114 A141 Y143	K98-P106 WeakPolarHBondContact O-CA 3.2Å; K98-I107 PolarHBondContact N-O 3.35Å; K98-I107 PolarHBondContact O-N 2.82Å; K98-V109 HydrophobicContact CB-CG1 3.97Å; K98-V109 HydrophobicContact CB-CG2 4.23Å; K98-V109 HydrophobicContact CD-CG1 4.43Å; K98-D113 IonicContact NZ-OD2 2.74Å; K98-D113 PolarHBondContact NZ-OD2 3.16Å; K98-E114 IonicContact NZ-OE1 3.64Å; K98-A141 HydrophobicContact CD-CB 4.42Å; K98-A141 HydrophobicContact CG-CB 3.87Å; K98-Y143 HydrophobicContact CB-CD1 3.93Å; K98-Y143 HydrophobicContact CB-CE1 3.63Å; K98-Y143 HydrophobicContact CD-CE1 3.84Å; K98-Y143 VanDerWaalsContact CE-OH 3.28Å; K98-Y143 WeakPolarHBondContact CE-OH 3.4Å; K98-Y143 HydrophobicContact CG-CD1 4.18Å; K98-Y143 HydrophobicContact CG-CE1 3.52Å; K98-Y143 PolarHBondContact NZ-OH 3.05Å
99	Y	95.9	Very high	92	Very high	16 Å²	16	62.2 Å²	62.2	6%	0.063	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	103.9	175.2	-48.6	-99.8	0	0	0	108.7	L87 W90 S91 T97 P106 A141 W142 S144	L87-Y99 HydrophobicContact CD1-CD1 3.53Å; L87-Y99 HydrophobicContact CD1-CD2 3.91Å; L87-Y99 HydrophobicContact CD1-CE1 4.18Å; L87-Y99 HydrophobicContact CD1-CG 3.39Å; W90-Y99 HydrophobicContact CE3-CD2 4.48Å; W90-Y99 AromaticContact CE3-CE2 3.89Å; W90-Y99 HydrophobicContact CE3-CE2 3.89Å; W90-Y99 HydrophobicContact CZ3-CD2 4.3Å; W90-Y99 HydrophobicContact CZ3-CE2 4.07Å; S91-Y99 WeakPolarHBondContact CB-OH 3.44Å; S91-Y99 PolarHBondContact N-OH 2.59Å; T97-Y99 HydrophobicContact CG2-CE1 4.15Å; T97-Y99 HydrophobicContact CG2-CE2 3.95Å; T97-Y99 WeakPolarHBondContact O-CE2 3.29Å; Y99-P106 HydrophobicContact CD1-CB 3.8Å; Y99-P106 HydrophobicContact CD1-CG 3.73Å; Y99-P106 HydrophobicContact CE1-CB 3.62Å; Y99-P106 HydrophobicContact CE1-CG 3.62Å; Y99-A141 CarbonylContact O-C 3.58Å; Y99-A141 WeakPolarHBondContact O-CA 3.47Å; Y99-A141 VanDerWaalsContact O-CB 3.26Å; Y99-A141 WeakPolarHBondContact O-CB 3.35Å; Y99-W142 HydrophobicContact CD2-CB 4.23Å; Y99-W142 WeakPolarHBondContact CD2-O 3.22Å; Y99-W142 PolarHBondContact N-O 3.07Å; Y99-W142 PolarHBondContact O-N 3.09Å; Y99-S144 WeakPolarHBondContact CE2-OG 3.11Å; Y99-S144 PolarHBondContact OH-OG 3.24Å
100	S	94.2	Very high	92	Very high	53 Å²	53	58.9 Å²	58.9	37%	0.371	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	138.4	-178.5	-176.7	0	0	0	0	111.5	C102 G103	S100-C102 PolarHBondContact O-N 2.92Å; S100-C102 PolarHBondContact OG-N 2.97Å; S100-G103 PolarHBondContact O-N 3.21Å
101	F	92.2	Very high	91.9	Very high	77 Å²	77	61.2 Å²	61.2	34%	0.338	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-18	171.7	-57.7	-23.9	0	0	0	113	P84 G103 M137 S138 T140 A141 W142	P84-F101 HydrophobicContact CB-CD1 4.02Å; P84-F101 HydrophobicContact CB-CD2 4.48Å; P84-F101 HydrophobicContact CB-CE1 3.83Å; P84-F101 HydrophobicContact CB-CE2 4.3Å; P84-F101 HydrophobicContact CB-CG 4.37Å; P84-F101 HydrophobicContact CB-CZ 4.01Å; P84-F101 HydrophobicContact CG-CD1 4.29Å; P84-F101 HydrophobicContact CG-CE1 3.58Å; P84-F101 HydrophobicContact CG-CE2 4.13Å; P84-F101 HydrophobicContact CG-CZ 3.52Å; F101-G103 PolarHBondContact O-N 3.37Å; F101-M137 HydrophobicContact CZ-CG 4.2Å; F101-S138 WeakPolarHBondContact CE2-O 3.49Å; F101-T140 WeakPolarHBondContact CB-O 3.4Å; F101-T140 WeakPolarHBondContact CD2-O 3.44Å; F101-T140 VanDerWaalsContact CG-O 3.24Å; F101-T140 WeakPolarHBondContact CG-O 3.39Å; F101-T140 PolarHBondContact N-O 2.98Å; F101-A141 VanDerWaalsContact CE1-CA 3.43Å; F101-A141 VanDerWaalsContact CE2-N 3.32Å; F101-A141 VanDerWaalsContact CZ-N 3.33Å; F101-A141 WeakPolarHBondContact CZ-O 3.46Å; F101-W142 HydrophobicContact CE1-CB 4.39Å; F101-W142 AromaticContact CE1-CD1 3.52Å; F101-W142 AromaticContact CE1-CG 3.9Å; F101-W142 HydrophobicContact CE1-CG 3.9Å; F101-W142 AromaticContact CE1-NE1 3.94Å
102	C	87.3	Confident	92	Very high	127 Å²	127	59.5 Å²	59.5	86%	0.858	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	2.1	173.2	-60.9	0	0	0	0	112.6	S100	S100-C102 PolarHBondContact O-N 2.92Å; S100-C102 PolarHBondContact OG-N 2.97Å
103	G	83.6	Confident	92.1	Very high	46 Å²	46	57.1 Å²	57.1	47%	0.474	38%	0.375	S	S	.	.			trans	81.3	-174.4	-171.5	0	0	0	0	0	112.6	S100 F101	S100-G103 PolarHBondContact O-N 3.21Å; F101-G103 PolarHBondContact O-N 3.37Å
104	G	84.8	Confident	92.3	Very high	75 Å²	75	55.8 Å²	55.8	77%	0.773	37%	0.365	S	S	*	.			trans	109.6	169.8	-174.9	0	0	0	0	0	112.9
105	T	90	Very high	92.5	Very high	119 Å²	119	54.2 Å²	54.2	73%	0.73	35%	0.353	S	S	*	.			trans	-70.9	143.9	178.2	49.4	0	0	0	0	110.8	I107	T105-I107 WeakPolarHBondContact O-CG1 3.41Å; T105-I107 PolarHBondContact O-N 2.98Å
106	P	93.1	Very high	92.8	Very high	70 Å²	70	53.5 Å²	53.5	46%	0.455	34%	0.344	S	S	.	.			trans	-57	134.8	173.8	-21.4	31.6	0	0	0	111.6	T97 K98 Y99	T97-P106 HydrophobicContact CG2-CB 3.54Å; K98-P106 WeakPolarHBondContact O-CA 3.2Å; Y99-P106 HydrophobicContact CD1-CB 3.8Å; Y99-P106 HydrophobicContact CD1-CG 3.73Å; Y99-P106 HydrophobicContact CE1-CB 3.62Å; Y99-P106 HydrophobicContact CE1-CG 3.62Å
107	I	95	Very high	93	Very high	102 Å²	102	53.5 Å²	53.5	52%	0.523	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	131.6	-177	-60.6	161	0	0	0	109.3	T97 K98 T105 V109	T97-I107 CarbonylContact C-O 3.56Å; T97-I107 WeakPolarHBondContact CA-O 3.37Å; K98-I107 PolarHBondContact N-O 3.35Å; K98-I107 PolarHBondContact O-N 2.82Å; T105-I107 WeakPolarHBondContact O-CG1 3.41Å; T105-I107 PolarHBondContact O-N 2.98Å; I107-V109 HydrophobicContact CG2-CG1 4.39Å
108	S	95	Very high	93.1	Very high	88 Å²	88	53.4 Å²	53.4	62%	0.615	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	130.4	171.8	-172.5	0	0	0	0	110.6	W96	W96-S108 WeakPolarHBondContact O-CA 3.39Å; W96-S108 PolarHBondContact O-OG 3.34Å
109	V	94.1	Very high	93.1	Very high	31 Å²	31	51.7 Å²	51.7	19%	0.188	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	160.4	180	-63.1	0	0	0	0	110.4	W96 K98 I107 Y143	W96-V109 HydrophobicContact CB-CG2 3.69Å; W96-V109 WeakPolarHBondContact CB-O 3.29Å; W96-V109 PolarHBondContact O-N 2.89Å; K98-V109 HydrophobicContact CB-CG1 3.97Å; K98-V109 HydrophobicContact CB-CG2 4.23Å; K98-V109 HydrophobicContact CD-CG1 4.43Å; I107-V109 HydrophobicContact CG2-CG1 4.39Å; V109-Y143 HydrophobicContact CG2-CD1 4.31Å; V109-Y143 HydrophobicContact CG2-CE1 4.23Å
110	A	91.1	Very high	93.2	Very high	76 Å²	76	51.9 Å²	51.9	63%	0.628	34%	0.339	S	S	*	.	S	Bend	trans	-76.4	-37.4	178.2	0	0	0	0	0	112.5
111	F	92.6	Very high	93.2	Very high	53 Å²	53	49.4 Å²	49.4	23%	0.232	32%	0.321	C	S	.	.	S	Bend	trans	-160	162.7	176.8	56.1	-90.9	0	0	0	108.8	Q158 A159	F111-Q158 WeakPolarHBondContact CD1-O 3.24Å; F111-A159 HydrophobicContact CE1-CB 4.02Å; F111-A159 HydrophobicContact CZ-CB 4.44Å
112	P	94.5	Very high	93.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	31%	0.309	C	S	.	.			trans	-61	142.4	178.3	-25.2	35.7	0	0	0	113.1	W96 L117 Y143 L157 R172	W96-P112 HydrophobicContact CD2-CG 4.26Å; W96-P112 HydrophobicContact CE3-CG 4.33Å; W96-P112 HydrophobicContact CH2-CG 4.18Å; W96-P112 HydrophobicContact CZ2-CG 4.12Å; W96-P112 HydrophobicContact CZ3-CG 4.29Å; P112-L117 HydrophobicContact CB-CD1 4.3Å; P112-L117 HydrophobicContact CB-CD2 4.18Å; P112-L117 HydrophobicContact CG-CD1 4.35Å; P112-Y143 HydrophobicContact CB-CD1 4.12Å; P112-Y143 HydrophobicContact CB-CD2 4.19Å; P112-Y143 HydrophobicContact CB-CE1 3.95Å; P112-Y143 HydrophobicContact CB-CE2 4.02Å; P112-Y143 HydrophobicContact CB-CG 4.23Å; P112-Y143 HydrophobicContact CG-CD1 4.19Å; P112-Y143 HydrophobicContact CG-CE1 4.49Å; P112-Y143 HydrophobicContact CG-CG 4.21Å; P112-L157 HydrophobicContact CG-CD2 4.32Å; P112-R172 PolarHBondContact O-NH2 3.31Å
113	D	92.2	Very high	93.2	Very high	71 Å²	71	40.8 Å²	40.8	38%	0.38	27%	0.27	S	S	.	.			trans	-80.7	-32.3	-171.9	-62.7	-48.8	0	0	0	114	K98 Y143 R170	K98-D113 IonicContact NZ-OD2 2.74Å; K98-D113 PolarHBondContact NZ-OD2 3.16Å; D113-Y143 PolarHBondContact N-OH 2.96Å; D113-R170 PolarHBondContact O-NH2 3.42Å
114	E	94.5	Very high	93.4	Very high	30 Å²	30	38.7 Å²	38.7	14%	0.14	25%	0.248	C	C	.	.	S	Bend	trans	-79.4	162	-171.2	-67.1	74.8	-146.8	0	0	113.5	K98 L117 S138 T140 Y143 R172	K98-E114 IonicContact NZ-OE1 3.64Å; E114-L117 HydrophobicContact CB-CD2 4.35Å; E114-L117 WeakPolarHBondContact O-CD2 3.21Å; E114-S138 WeakPolarHBondContact OE2-CB 3.26Å; E114-S138 PolarHBondContact OE2-OG 3.02Å; E114-T140 PolarHBondContact OE1-OG1 2.97Å; E114-Y143 PolarHBondContact OE1-OH 2.89Å; E114-Y143 WeakPolarHBondContact OE2-CE2 3.46Å; E114-Y143 PolarHBondContact OE2-OH 3.17Å; E114-R172 VanDerWaalsContact O-CZ 3.25Å; E114-R172 PolarHBondContact O-NE 3.19Å; E114-R172 VanDerWaalsContact O-NE 3.1Å; E114-R172 PolarHBondContact O-NH2 3.38Å
115	D	95.4	Very high	93.2	Very high	36 Å²	36	39.4 Å²	39.4	19%	0.193	23%	0.233	C	C	.	.	S	Bend	trans	-92.9	-12.9	-176.1	-67.4	-29.3	0	0	0	114.6	L74 R170 R172 I173	L74-D115 HydrophobicContact CD1-CB 3.99Å; L74-D115 HydrophobicContact CD2-CB 3.72Å; D115-R170 IonicContact OD1-CZ 2.68Å; D115-R170 IonicContact OD1-NE 3.1Å; D115-R170 PolarHBondContact OD1-NE 3.25Å; D115-R170 IonicContact OD1-NH2 2.69Å; D115-R170 PolarHBondContact OD1-NH2 3.36Å; D115-R170 IonicContact OD2-CZ 3.59Å; D115-R170 IonicContact OD2-NE 3.65Å; D115-R170 PolarHBondContact OD2-NE 3.03Å; D115-R170 IonicContact OD2-NH2 3.37Å; D115-R172 HydrophobicContact CB-CG 4.13Å; D115-R172 CarbonylContact O-C 3.27Å; D115-R172 VanDerWaalsContact O-CA 3.29Å; D115-R172 WeakPolarHBondContact O-CA 3.46Å; D115-R172 WeakPolarHBondContact OD1-CG 3.32Å; D115-R172 IonicContact OD1-NE 3.82Å; D115-I173 PolarHBondContact O-N 2.98Å
116	A	97.6	Very high	92.7	Very high	9 Å²	9	42.2 Å²	42.2	7%	0.074	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	124.1	174.6	0	0	0	0	0	109.6	L74 F78 I173	L74-A116 HydrophobicContact CB-CB 4.39Å; F78-A116 HydrophobicContact CB-CB 3.87Å; F78-A116 HydrophobicContact CD1-CB 3.85Å; F78-A116 HydrophobicContact CG-CB 3.94Å; A116-I173 WeakPolarHBondContact CA-O 3.32Å; A116-I173 HydrophobicContact CB-CG2 4.02Å
117	L	97.4	Very high	91.9	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	146.8	-179.6	-3.4	158.9	0	0	0	110.3	P112 E114 M137 L157 I173 V174 I175	P112-L117 HydrophobicContact CB-CD1 4.3Å; P112-L117 HydrophobicContact CB-CD2 4.18Å; P112-L117 HydrophobicContact CG-CD1 4.35Å; E114-L117 HydrophobicContact CB-CD2 4.35Å; E114-L117 WeakPolarHBondContact O-CD2 3.21Å; L117-M137 CarbonylContact C-O 3.47Å; L117-M137 VanDerWaalsContact CA-O 3.27Å; L117-M137 WeakPolarHBondContact CA-O 3.34Å; L117-L157 HydrophobicContact CD1-CD2 4.16Å; L117-I173 PolarHBondContact N-O 2.96Å; L117-I173 VanDerWaalsContact N-O 3.16Å; L117-V174 HydrophobicContact CD1-CG2 4Å; L117-V174 HydrophobicContact CG-CG2 4.32Å; L117-V174 CarbonylContact O-C 3.53Å; L117-V174 WeakPolarHBondContact O-CA 3.25Å; L117-I175 VanDerWaalsContact O-CD1 3.25Å; L117-I175 WeakPolarHBondContact O-CD1 3.36Å; L117-I175 PolarHBondContact O-N 3.32Å
118	V	98.2	Very high	90.8	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	138.4	155.3	-169.9	0	0	0	0	108.2	F78 A136 M137 I175 V288 T291 F292	F78-V118 HydrophobicContact CE1-CG2 3.64Å; F78-V118 HydrophobicContact CZ-CG2 3.98Å; V118-A136 CarbonylContact O-C 3.5Å; V118-A136 WeakPolarHBondContact O-CA 3.33Å; V118-A136 WeakPolarHBondContact O-CB 3.39Å; V118-M137 HydrophobicContact CG2-CE 4.34Å; V118-M137 PolarHBondContact N-O 3.17Å; V118-M137 PolarHBondContact O-N 2.79Å; V118-I175 CarbonylContact C-O 3.57Å; V118-I175 VanDerWaalsContact CA-O 3.29Å; V118-I175 WeakPolarHBondContact CA-O 3.26Å; V118-I175 HydrophobicContact CG2-CB 4.12Å; V118-I175 HydrophobicContact CG2-CG2 4.47Å; V118-V288 HydrophobicContact CB-CG1 3.79Å; V118-V288 HydrophobicContact CG1-CB 4.48Å; V118-V288 HydrophobicContact CG1-CG1 3.81Å; V118-V288 WeakPolarHBondContact CG1-O 3.41Å; V118-T291 HydrophobicContact CG1-CG2 3.64Å; V118-F292 HydrophobicContact CG2-CB 3.84Å; V118-F292 HydrophobicContact CG2-CD2 3.7Å; V118-F292 HydrophobicContact CG2-CG 4.26Å
119	F	97.2	Very high	89.9	Confident	3 Å²	3	36.5 Å²	36.5	1%	0.013	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	141	-171.2	177.1	-115.1	0	0	0	111.4	W96 V121 A134 T135 A136 I155 L157 V174 I175 D182 V186	W96-F119 HydrophobicContact CH2-CD2 4.06Å; W96-F119 AromaticContact CH2-CE2 3.67Å; W96-F119 HydrophobicContact CH2-CE2 3.67Å; W96-F119 AromaticContact CZ2-CE2 3.96Å; W96-F119 HydrophobicContact CZ2-CE2 3.96Å; F119-V121 HydrophobicContact CD1-CG2 4.2Å; F119-V121 HydrophobicContact CE1-CG2 3.28Å; F119-V121 HydrophobicContact CE2-CG2 3.98Å; F119-V121 HydrophobicContact CZ-CG2 3.16Å; F119-A134 HydrophobicContact CE2-CB 3.68Å; F119-A134 HydrophobicContact CZ-CB 4.11Å; F119-T135 WeakPolarHBondContact CA-O 3.43Å; F119-A136 HydrophobicContact CD2-CB 4.05Å; F119-I155 HydrophobicContact CE2-CG2 4.26Å; F119-I155 HydrophobicContact CZ-CB 4.43Å; F119-I155 HydrophobicContact CZ-CD1 3.84Å; F119-I155 HydrophobicContact CZ-CG2 4.01Å; F119-L157 HydrophobicContact CD1-CD1 4.34Å; F119-L157 HydrophobicContact CD2-CD2 4.45Å; F119-L157 HydrophobicContact CE1-CD1 4.28Å; F119-L157 HydrophobicContact CE2-CD2 4.25Å; F119-L157 HydrophobicContact CZ-CD2 4.49Å; F119-V174 HydrophobicContact CB-CG1 3.53Å; F119-V174 HydrophobicContact CD1-CG1 4.18Å; F119-V174 HydrophobicContact CG-CG1 4.26Å; F119-I175 PolarHBondContact N-O 2.94Å; F119-D182 HydrophobicContact CD1-CB 3.99Å; F119-D182 HydrophobicContact CE1-CB 4.03Å; F119-V186 HydrophobicContact CE1-CG2 3.83Å; F119-V186 HydrophobicContact CZ-CG2 4.46Å
120	D	96.7	Very high	89.3	Confident	20 Å²	20	37.5 Å²	37.5	11%	0.107	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	143.2	178.9	-175.1	63.7	0	0	0	110.6	A134 T135 V288	D120-A134 CarbonylContact O-C 3.56Å; D120-A134 VanDerWaalsContact O-CA 3.24Å; D120-A134 WeakPolarHBondContact O-CA 3.49Å; D120-A134 VanDerWaalsContact O-CB 3.29Å; D120-A134 WeakPolarHBondContact O-CB 3.3Å; D120-T135 PolarHBondContact N-O 3.31Å; D120-T135 PolarHBondContact O-N 2.93Å; D120-V288 HydrophobicContact CB-CG2 3.53Å
121	V	94	Very high	89.1	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.012	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	134.8	-176	-178.1	0	0	0	0	111.2	F119 P131 A134 I155 D182 Y185	F119-V121 HydrophobicContact CD1-CG2 4.2Å; F119-V121 HydrophobicContact CE1-CG2 3.28Å; F119-V121 HydrophobicContact CE2-CG2 3.98Å; F119-V121 HydrophobicContact CZ-CG2 3.16Å; V121-P131 HydrophobicContact CG1-CB 3.76Å; V121-A134 HydrophobicContact CB-CB 4.44Å; V121-A134 HydrophobicContact CG2-CB 3.95Å; V121-I155 HydrophobicContact CB-CD1 4.34Å; V121-I155 HydrophobicContact CG1-CD1 3.76Å; V121-I155 HydrophobicContact CG2-CD1 3.57Å; V121-D182 HydrophobicContact CG2-CB 4.1Å; V121-D182 PolarHBondContact N-OD1 3.03Å; V121-Y185 HydrophobicContact CB-CD2 4.36Å; V121-Y185 HydrophobicContact CG1-CD2 3.94Å; V121-Y185 HydrophobicContact CG1-CG 4.14Å
122	E	92.5	Very high	89	Confident	18 Å²	18	32.6 Å²	32.6	8%	0.084	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	144.5	174.7	-72.8	-66.3	179.5	0	0	113.6	V132 I133 F265 C284	E122-V132 PolarHBondContact O-N 2.93Å; E122-I133 HydrophobicContact CB-CD1 4.41Å; E122-I133 HydrophobicContact CB-CG1 3.84Å; E122-I133 PolarHBondContact N-O 2.86Å; E122-F265 HydrophobicContact CB-CD1 4.04Å; E122-F265 HydrophobicContact CB-CD2 4.09Å; E122-F265 HydrophobicContact CB-CE1 3.83Å; E122-F265 HydrophobicContact CB-CE2 3.88Å; E122-F265 HydrophobicContact CB-CG 4.18Å; E122-F265 HydrophobicContact CB-CZ 3.75Å; E122-F265 HydrophobicContact CG-CD2 3.94Å; E122-F265 HydrophobicContact CG-CE2 3.7Å; E122-F265 HydrophobicContact CG-CG 4.48Å; E122-F265 HydrophobicContact CG-CZ 4.04Å; E122-C284 VanDerWaalsContact CG-SG 3.56Å
123	V	88.8	Confident	88.9	Confident	5 Å²	5	32.8 Å²	32.8	3%	0.03	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	127.5	-173.5	175.5	0	0	0	0	109.6	L125 G128 H130 F181 Y185	V123-L125 HydrophobicContact CG1-CD2 4.47Å; V123-L125 PolarHBondContact O-N 3.18Å; V123-G128 VanDerWaalsContact CG1-O 3.25Å; V123-G128 WeakPolarHBondContact CG1-O 3.3Å; V123-H130 WeakPolarHBondContact CG1-O 3.35Å; V123-F181 HydrophobicContact CG2-CE1 4.47Å; V123-F181 HydrophobicContact CG2-CZ 4.12Å; V123-Y185 HydrophobicContact CG2-CE1 3.91Å; V123-Y185 HydrophobicContact CG2-CE2 3.94Å
124	C	86.5	Confident	89	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.007	15%	0.149	C	C	.	.			trans	-83.9	106.1	174.7	-174.5	0	0	0	0	110.7	R126 D127 G128 V132 F265 G268 L270	C124-R126 VanDerWaalsContact C-N 3.32Å; C124-R126 PolarHBondContact O-N 3.32Å; C124-D127 HydrophobicContact CB-CB 4.38Å; C124-D127 PolarHBondContact O-N 3.49Å; C124-D127 VanDerWaalsContact O-N 3.14Å; C124-D127 PolarHBondContact SG-OD2 2.89Å; C124-D127 VanDerWaalsContact SG-OD2 3.35Å; C124-G128 PolarHBondContact O-N 2.7Å; C124-G128 VanDerWaalsContact O-N 3.15Å; C124-V132 HydrophobicContact CB-CG2 3.89Å; C124-F265 CarbonylContact C-O 3.6Å; C124-F265 WeakPolarHBondContact CA-O 3.43Å; C124-G268 PolarHBondContact SG-O 3.03Å; C124-L270 HydrophobicContact CB-CD2 4.29Å; C124-L270 HydrophobicContact CB-CG 4.39Å
125	L	81	Confident	89.1	Confident	90 Å²	90	28 Å²	28	47%	0.471	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-32.2	-170.5	-63.9	-176.1	0	0	0	113.9	V123 D127 G128 F265 V266	V123-L125 HydrophobicContact CG1-CD2 4.47Å; V123-L125 PolarHBondContact O-N 3.18Å; L125-D127 VanDerWaalsContact C-N 3.31Å; L125-G128 PolarHBondContact O-N 3.11Å; L125-F265 PolarHBondContact N-O 3.49Å; L125-V266 HydrophobicContact CD1-CB 4.32Å; L125-V266 HydrophobicContact CD1-CG1 4.01Å; L125-V266 HydrophobicContact CD1-CG2 4.36Å
126	R	78.5	Confident	89.2	Confident	178 Å²	178	26.3 Å²	26.3	67%	0.672	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-34.2	176.9	-85.5	-167.9	159.5	-176.9	-3.8	112.8	C124 T267 G268	C124-R126 VanDerWaalsContact C-N 3.32Å; C124-R126 PolarHBondContact O-N 3.32Å; R126-T267 VanDerWaalsContact CD-O 3.32Å; R126-T267 WeakPolarHBondContact CD-O 3.31Å; R126-T267 PolarHBondContact NE-O 3.1Å; R126-G268 WeakPolarHBondContact CD-O 3.2Å
127	D	76.3	Confident	89.2	Confident	70 Å²	70	26 Å²	26	37%	0.374	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-18.5	-178.1	-76	-72.9	0	0	0	112.6	C124 L125 L150 L270	C124-D127 HydrophobicContact CB-CB 4.38Å; C124-D127 PolarHBondContact O-N 3.49Å; C124-D127 VanDerWaalsContact O-N 3.14Å; C124-D127 PolarHBondContact SG-OD2 2.89Å; C124-D127 VanDerWaalsContact SG-OD2 3.35Å; L125-D127 VanDerWaalsContact C-N 3.31Å; D127-L150 HydrophobicContact CB-CD2 4.27Å; D127-L270 HydrophobicContact CB-CD1 3.85Å; D127-L270 HydrophobicContact CB-CG 4Å; D127-L270 WeakPolarHBondContact OD2-CB 3.33Å; D127-L270 WeakPolarHBondContact OD2-CG 3.34Å; D127-L270 PolarHBondContact OD2-N 2.64Å
128	G	73.6	Confident	89.1	Confident	28 Å²	28	25.9 Å²	25.9	29%	0.289	13%	0.13	S	C	.	.			trans	129.4	-170.7	172.1	0	0	0	0	0	113.1	V123 C124 L125 H130	V123-G128 VanDerWaalsContact CG1-O 3.25Å; V123-G128 WeakPolarHBondContact CG1-O 3.3Å; C124-G128 PolarHBondContact O-N 2.7Å; C124-G128 VanDerWaalsContact O-N 3.15Å; L125-G128 PolarHBondContact O-N 3.11Å; G128-H130 VanDerWaalsContact C-N 3.31Å; G128-H130 PolarHBondContact O-N 2.94Å; G128-H130 VanDerWaalsContact O-N 3.15Å
129	N	75.7	Confident	89	Confident	43 Å²	43	28.6 Å²	28.6	23%	0.23	15%	0.149	C	C	.	.	S	Bend	trans	-93.5	56.7	-172.7	-154.7	3.8	0	0	0	111.9	Y185 L469	N129-Y185 PolarHBondContact OD1-OH 2.92Å; N129-L469 HydrophobicContact CB-CD1 4Å; N129-L469 VanDerWaalsContact CG-CD1 3.46Å; N129-L469 VanDerWaalsContact ND2-CD1 3.31Å; N129-L469 WeakPolarHBondContact ND2-CD1 3.47Å; N129-L469 WeakPolarHBondContact O-CD1 3.39Å
130	H	80.5	Confident	88.9	Confident	52 Å²	52	31.1 Å²	31.1	24%	0.241	17%	0.165	C	C	.	.	S	Bend	trans	-126.2	141	-178.1	-62.1	-47.6	0	0	0	111.5	V123 G128 V132 Y152	V123-H130 WeakPolarHBondContact CG1-O 3.35Å; G128-H130 VanDerWaalsContact C-N 3.31Å; G128-H130 PolarHBondContact O-N 2.94Å; G128-H130 VanDerWaalsContact O-N 3.15Å; H130-V132 PolarHBondContact O-N 2.9Å; H130-Y152 AromaticContact CE1-CD1 3.37Å; H130-Y152 WeakPolarHBondContact CE1-CD1 3.49Å; H130-Y152 AromaticContact CE1-CE1 3.26Å; H130-Y152 WeakPolarHBondContact CE1-CE1 3.5Å; H130-Y152 AromaticContact CE1-CZ 3.84Å; H130-Y152 AromaticContact NE2-CE1 3.63Å; H130-Y152 AromaticContact NE2-CZ 3.7Å
131	P	88.1	Confident	88.9	Confident	10 Å²	10	30.2 Å²	30.2	7%	0.065	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	130.7	-179.6	29.1	-32	0	0	0	109.8	V121 W145 S147 I155 Y185	V121-P131 HydrophobicContact CG1-CB 3.76Å; P131-W145 HydrophobicContact CB-CH2 4.33Å; P131-W145 HydrophobicContact CB-CZ3 3.98Å; P131-W145 HydrophobicContact CG-CH2 4.07Å; P131-W145 HydrophobicContact CG-CZ3 4.24Å; P131-S147 WeakPolarHBondContact O-CB 3.18Å; P131-I155 HydrophobicContact CB-CD1 3.83Å; P131-I155 HydrophobicContact CB-CG1 4.12Å; P131-I155 HydrophobicContact CG-CD1 4.42Å; P131-I155 HydrophobicContact CG-CG1 4.19Å; P131-Y185 HydrophobicContact CB-CD1 4.19Å; P131-Y185 HydrophobicContact CB-CG 4.3Å; P131-Y185 HydrophobicContact CG-CD1 4.15Å
132	V	89.9	Confident	89	Confident	16 Å²	16	30.2 Å²	30.2	10%	0.097	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-49.4	-178.2	179.7	0	0	0	0	110.4	E122 C124 H130 S147 L270 V273	E122-V132 PolarHBondContact O-N 2.93Å; C124-V132 HydrophobicContact CB-CG2 3.89Å; H130-V132 PolarHBondContact O-N 2.9Å; V132-S147 WeakPolarHBondContact O-CB 3.41Å; V132-S147 PolarHBondContact O-N 2.88Å; V132-S147 PolarHBondContact O-OG 2.86Å; V132-L270 HydrophobicContact CB-CD2 4.34Å; V132-L270 HydrophobicContact CG1-CD2 3.5Å; V132-L270 VanDerWaalsContact CG1-CD2 3.5Å; V132-L270 HydrophobicContact CG2-CD2 3.81Å; V132-V273 HydrophobicContact CG1-CG1 4.06Å
133	I	92.3	Very high	89.2	Confident	4 Å²	4	29.3 Å²	29.3	2%	0.021	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	159.4	174.8	60.6	176.1	0	0	0	109.9	E122 W145 F265 F277 V280 M281	E122-I133 HydrophobicContact CB-CD1 4.41Å; E122-I133 HydrophobicContact CB-CG1 3.84Å; E122-I133 PolarHBondContact N-O 2.86Å; I133-W145 CarbonylContact C-O 3.52Å; I133-W145 VanDerWaalsContact CA-O 3.25Å; I133-W145 WeakPolarHBondContact CA-O 3.23Å; I133-F265 HydrophobicContact CD1-CE1 4.2Å; I133-F265 HydrophobicContact CD1-CZ 3.61Å; I133-F265 HydrophobicContact CG1-CE1 4.37Å; I133-F265 HydrophobicContact CG1-CZ 4.17Å; I133-F277 HydrophobicContact CG2-CE2 4.06Å; I133-V280 HydrophobicContact CD1-CB 4.42Å; I133-V280 HydrophobicContact CD1-CG2 3.96Å; I133-M281 HydrophobicContact CB-SD 3.95Å; I133-M281 HydrophobicContact CD1-CG 4.49Å; I133-M281 HydrophobicContact CD1-SD 3.74Å; I133-M281 HydrophobicContact CG1-SD 4.35Å; I133-M281 HydrophobicContact CG2-SD 4.12Å
134	A	94.9	Very high	89.5	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	152.2	168.3	0	0	0	0	0	110.7	F119 D120 V121 W145 I155	F119-A134 HydrophobicContact CE2-CB 3.68Å; F119-A134 HydrophobicContact CZ-CB 4.11Å; D120-A134 CarbonylContact O-C 3.56Å; D120-A134 VanDerWaalsContact O-CA 3.24Å; D120-A134 WeakPolarHBondContact O-CA 3.49Å; D120-A134 VanDerWaalsContact O-CB 3.29Å; D120-A134 WeakPolarHBondContact O-CB 3.3Å; V121-A134 HydrophobicContact CB-CB 4.44Å; V121-A134 HydrophobicContact CG2-CB 3.95Å; A134-W145 HydrophobicContact CB-CB 4.13Å; A134-W145 HydrophobicContact CB-CE3 4.47Å; A134-W145 PolarHBondContact N-O 3.34Å; A134-W145 PolarHBondContact O-N 2.89Å; A134-I155 HydrophobicContact CB-CD1 3.66Å
135	T	96.2	Very high	89.9	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	140.3	177.9	-58.7	0	0	0	0	109.5	W90 F119 D120 W142 Y143 M281 C284 A285 V288	W90-T135 HydrophobicContact CH2-CG2 4.37Å; F119-T135 WeakPolarHBondContact CA-O 3.43Å; D120-T135 PolarHBondContact N-O 3.31Å; D120-T135 PolarHBondContact O-N 2.93Å; T135-W142 HydrophobicContact CG2-CE3 4.1Å; T135-W142 HydrophobicContact CG2-CZ3 4.07Å; T135-Y143 WeakPolarHBondContact CA-O 3.25Å; T135-M281 WeakPolarHBondContact OG1-CE 2.94Å; T135-C284 VanDerWaalsContact OG1-CB 3.29Å; T135-C284 WeakPolarHBondContact OG1-CB 3.46Å; T135-A285 HydrophobicContact CG2-CB 4.08Å; T135-V288 HydrophobicContact CG2-CG2 4.11Å
136	A	97.5	Very high	90.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	152.1	171.8	0	0	0	0	0	112.2	W96 V118 F119 Y143	W96-A136 HydrophobicContact CH2-CB 4.04Å; W96-A136 HydrophobicContact CZ3-CB 4.12Å; V118-A136 CarbonylContact O-C 3.5Å; V118-A136 WeakPolarHBondContact O-CA 3.33Å; V118-A136 WeakPolarHBondContact O-CB 3.39Å; F119-A136 HydrophobicContact CD2-CB 4.05Å; A136-Y143 PolarHBondContact N-O 3.08Å; A136-Y143 PolarHBondContact O-N 2.95Å
137	M	97.1	Very high	90.9	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.01	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	129.7	175	-167.6	-170.2	75.3	0	0	109.6	F78 P84 F101 L117 V118 W142 V288 F292	F78-M137 HydrophobicContact CE2-CE 4.24Å; F78-M137 HydrophobicContact CZ-CE 3.86Å; F78-M137 WeakPolarHBondContact CZ-O 3.33Å; P84-M137 WeakPolarHBondContact CD-SD 3.45Å; P84-M137 HydrophobicContact CG-CG 4.41Å; P84-M137 HydrophobicContact CG-SD 4.02Å; F101-M137 HydrophobicContact CZ-CG 4.2Å; L117-M137 CarbonylContact C-O 3.47Å; L117-M137 VanDerWaalsContact CA-O 3.27Å; L117-M137 WeakPolarHBondContact CA-O 3.34Å; V118-M137 HydrophobicContact CG2-CE 4.34Å; V118-M137 PolarHBondContact N-O 3.17Å; V118-M137 PolarHBondContact O-N 2.79Å; M137-W142 HydrophobicContact CB-CD2 4.48Å; M137-W142 HydrophobicContact CB-CE3 3.79Å; M137-W142 HydrophobicContact CB-CH2 3.97Å; M137-W142 HydrophobicContact CB-CZ3 3.53Å; M137-W142 HydrophobicContact CG-CD2 4.21Å; M137-W142 HydrophobicContact CG-CE3 4Å; M137-W142 HydrophobicContact CG-CH2 3.89Å; M137-W142 HydrophobicContact CG-CZ2 4.1Å; M137-W142 HydrophobicContact CG-CZ3 3.87Å; M137-W142 HydrophobicContact SD-CH2 3.74Å; M137-W142 HydrophobicContact SD-CZ2 3.89Å; M137-W142 HydrophobicContact SD-CZ3 4.3Å; M137-V288 HydrophobicContact CB-CG1 3.62Å; M137-F292 HydrophobicContact CE-CB 3.69Å; M137-F292 HydrophobicContact CE-CD1 3.93Å; M137-F292 HydrophobicContact CE-CD2 3.38Å; M137-F292 HydrophobicContact CE-CE1 4.4Å; M137-F292 HydrophobicContact CE-CE2 3.92Å; M137-F292 HydrophobicContact CE-CG 3.38Å; M137-F292 HydrophobicContact CE-CZ 4.39Å
138	S	96.8	Very high	91	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.007	13%	0.13	C	C	.	.			trans	-112.6	-172.4	169.9	76.4	0	0	0	0	111.3	F78 F101 E114 T140 A141	F78-S138 VanDerWaalsContact CE2-C 3.45Å; F101-S138 WeakPolarHBondContact CE2-O 3.49Å; E114-S138 WeakPolarHBondContact OE2-CB 3.26Å; E114-S138 PolarHBondContact OE2-OG 3.02Å; S138-T140 PolarHBondContact O-N 3.23Å; S138-T140 PolarHBondContact OG-N 2.96Å; S138-T140 PolarHBondContact OG-OG1 3.01Å; S138-A141 PolarHBondContact N-O 2.96Å; S138-A141 PolarHBondContact OG-N 3.35Å; S138-A141 VanDerWaalsContact OG-N 3.16Å; S138-A141 PolarHBondContact OG-O 3.17Å
139	S	95.6	Very high	90.3	Very high	57 Å²	57	31.1 Å²	31.1	40%	0.399	15%	0.146	S	C	.	.	S	Bend	trans	-70	-14.4	174.4	52.8	0	0	0	0	113.9	C81	C81-S139 VanDerWaalsContact SG-CB 3.54Å
140	T	95	Very high	89.1	Confident	57 Å²	57	33.3 Å²	33.3	35%	0.35	16%	0.157	S	C	.	.	S	Bend	trans	-128.1	-18.6	-170.3	61.1	0	0	0	0	114.1	F101 E114 S138	F101-T140 WeakPolarHBondContact CB-O 3.4Å; F101-T140 WeakPolarHBondContact CD2-O 3.44Å; F101-T140 VanDerWaalsContact CG-O 3.24Å; F101-T140 WeakPolarHBondContact CG-O 3.39Å; F101-T140 PolarHBondContact N-O 2.98Å; E114-T140 PolarHBondContact OE1-OG1 2.97Å; S138-T140 PolarHBondContact O-N 3.23Å; S138-T140 PolarHBondContact OG-N 2.96Å; S138-T140 PolarHBondContact OG-OG1 3.01Å
141	A	95.7	Very high	87.2	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	154.4	-173.1	0	0	0	0	0	114.1	K98 Y99 F101 S138 Y143	K98-A141 HydrophobicContact CD-CB 4.42Å; K98-A141 HydrophobicContact CG-CB 3.87Å; Y99-A141 CarbonylContact O-C 3.58Å; Y99-A141 WeakPolarHBondContact O-CA 3.47Å; Y99-A141 VanDerWaalsContact O-CB 3.26Å; Y99-A141 WeakPolarHBondContact O-CB 3.35Å; F101-A141 VanDerWaalsContact CE1-CA 3.43Å; F101-A141 VanDerWaalsContact CE2-N 3.32Å; F101-A141 VanDerWaalsContact CZ-N 3.33Å; F101-A141 WeakPolarHBondContact CZ-O 3.46Å; S138-A141 PolarHBondContact N-O 2.96Å; S138-A141 PolarHBondContact OG-N 3.35Å; S138-A141 VanDerWaalsContact OG-N 3.16Å; S138-A141 PolarHBondContact OG-O 3.17Å; A141-Y143 HydrophobicContact CB-CD2 4.43Å; A141-Y143 HydrophobicContact CB-CE2 3.75Å
142	W	96.9	Very high	85.5	Confident	2 Å²	2	40 Å²	40	1%	0.008	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	153.1	158.6	-77.8	114.5	0	0	0	109.3	P84 Q85 I86 L87 W90 Y99 F101 T135 M137 A285 V288 A289	P84-W142 HydrophobicContact CG-CZ2 3.74Å; P84-W142 VanDerWaalsContact CG-NE1 3.34Å; Q85-W142 PolarHBondContact O-NE1 2.98Å; I86-W142 HydrophobicContact CG1-CZ2 4.41Å; L87-W142 HydrophobicContact CD1-CB 4.13Å; L87-W142 HydrophobicContact CD1-CG 4.44Å; W90-W142 HydrophobicContact CH2-CB 4.26Å; W90-W142 HydrophobicContact CH2-CD2 4.23Å; W90-W142 HydrophobicContact CH2-CE3 4.24Å; W90-W142 HydrophobicContact CH2-CG 4.23Å; W90-W142 HydrophobicContact CZ3-CB 4.26Å; Y99-W142 HydrophobicContact CD2-CB 4.23Å; Y99-W142 WeakPolarHBondContact CD2-O 3.22Å; Y99-W142 PolarHBondContact N-O 3.07Å; Y99-W142 PolarHBondContact O-N 3.09Å; F101-W142 HydrophobicContact CE1-CB 4.39Å; F101-W142 AromaticContact CE1-CD1 3.52Å; F101-W142 AromaticContact CE1-CG 3.9Å; F101-W142 HydrophobicContact CE1-CG 3.9Å; F101-W142 AromaticContact CE1-NE1 3.94Å; T135-W142 HydrophobicContact CG2-CE3 4.1Å; T135-W142 HydrophobicContact CG2-CZ3 4.07Å; M137-W142 HydrophobicContact CB-CD2 4.48Å; M137-W142 HydrophobicContact CB-CE3 3.79Å; M137-W142 HydrophobicContact CB-CH2 3.97Å; M137-W142 HydrophobicContact CB-CZ3 3.53Å; M137-W142 HydrophobicContact CG-CD2 4.21Å; M137-W142 HydrophobicContact CG-CE3 4Å; M137-W142 HydrophobicContact CG-CH2 3.89Å; M137-W142 HydrophobicContact CG-CZ2 4.1Å; M137-W142 HydrophobicContact CG-CZ3 3.87Å; M137-W142 HydrophobicContact SD-CH2 3.74Å; M137-W142 HydrophobicContact SD-CZ2 3.89Å; M137-W142 HydrophobicContact SD-CZ3 4.3Å; W142-A285 HydrophobicContact CH2-CB 4.39Å; W142-A285 HydrophobicContact CZ3-CB 4.22Å; W142-V288 HydrophobicContact CH2-CG1 4.18Å; W142-V288 HydrophobicContact CZ3-CB 4.12Å; W142-V288 HydrophobicContact CZ3-CG1 3.68Å; W142-A289 HydrophobicContact CH2-CB 4.31Å
143	Y	97	Very high	84.4	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	136.6	174	-62.5	-92.5	0	0	0	110.4	T97 K98 V109 P112 D113 E114 T135 A136 A141	T97-Y143 VanDerWaalsContact O-CA 3.27Å; T97-Y143 WeakPolarHBondContact O-CA 3.43Å; K98-Y143 HydrophobicContact CB-CD1 3.93Å; K98-Y143 HydrophobicContact CB-CE1 3.63Å; K98-Y143 HydrophobicContact CD-CE1 3.84Å; K98-Y143 VanDerWaalsContact CE-OH 3.28Å; K98-Y143 WeakPolarHBondContact CE-OH 3.4Å; K98-Y143 HydrophobicContact CG-CD1 4.18Å; K98-Y143 HydrophobicContact CG-CE1 3.52Å; K98-Y143 PolarHBondContact NZ-OH 3.05Å; V109-Y143 HydrophobicContact CG2-CD1 4.31Å; V109-Y143 HydrophobicContact CG2-CE1 4.23Å; P112-Y143 HydrophobicContact CB-CD1 4.12Å; P112-Y143 HydrophobicContact CB-CD2 4.19Å; P112-Y143 HydrophobicContact CB-CE1 3.95Å; P112-Y143 HydrophobicContact CB-CE2 4.02Å; P112-Y143 HydrophobicContact CB-CG 4.23Å; P112-Y143 HydrophobicContact CG-CD1 4.19Å; P112-Y143 HydrophobicContact CG-CE1 4.49Å; P112-Y143 HydrophobicContact CG-CG 4.21Å; D113-Y143 PolarHBondContact N-OH 2.96Å; E114-Y143 PolarHBondContact OE1-OH 2.89Å; E114-Y143 WeakPolarHBondContact OE2-CE2 3.46Å; E114-Y143 PolarHBondContact OE2-OH 3.17Å; T135-Y143 WeakPolarHBondContact CA-O 3.25Å; A136-Y143 PolarHBondContact N-O 3.08Å; A136-Y143 PolarHBondContact O-N 2.95Å; A141-Y143 HydrophobicContact CB-CD2 4.43Å; A141-Y143 HydrophobicContact CB-CE2 3.75Å
144	S	95.6	Very high	83.6	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	140.1	168.2	66.2	0	0	0	0	109.8	W96 T97 Y99 M281	W96-S144 CarbonylContact C-O 3.54Å; W96-S144 WeakPolarHBondContact CA-O 3.45Å; T97-S144 PolarHBondContact N-O 3.05Å; T97-S144 PolarHBondContact O-N 2.9Å; Y99-S144 WeakPolarHBondContact CE2-OG 3.11Å; Y99-S144 PolarHBondContact OH-OG 3.24Å; S144-M281 VanDerWaalsContact CB-CE 3.45Å
145	W	94.1	Very high	83	Confident	14 Å²	14	44.2 Å²	44.2	5%	0.053	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	131.8	171.5	-176	89.5	0	0	0	109.7	G95 W96 P131 I133 A134 I155	G95-W145 WeakPolarHBondContact O-CA 3.34Å; W96-W145 AromaticContact CD1-CD1 3.58Å; W96-W145 HydrophobicContact CD2-CB 3.74Å; W96-W145 AromaticContact CD2-CD1 3.8Å; W96-W145 HydrophobicContact CD2-CG 4.16Å; W96-W145 AromaticContact CE2-CD1 3.76Å; W96-W145 HydrophobicContact CE3-CB 3.67Å; W96-W145 HydrophobicContact CG-CB 4.41Å; W96-W145 AromaticContact CG-CD1 3.71Å; W96-W145 HydrophobicContact CG-CG 4.47Å; W96-W145 HydrophobicContact CH2-CB 4.07Å; W96-W145 HydrophobicContact CZ2-CB 4.12Å; W96-W145 HydrophobicContact CZ3-CB 3.84Å; W96-W145 AromaticContact NE1-CD1 3.6Å; P131-W145 HydrophobicContact CB-CH2 4.33Å; P131-W145 HydrophobicContact CB-CZ3 3.98Å; P131-W145 HydrophobicContact CG-CH2 4.07Å; P131-W145 HydrophobicContact CG-CZ3 4.24Å; I133-W145 CarbonylContact C-O 3.52Å; I133-W145 VanDerWaalsContact CA-O 3.25Å; I133-W145 WeakPolarHBondContact CA-O 3.23Å; A134-W145 HydrophobicContact CB-CB 4.13Å; A134-W145 HydrophobicContact CB-CE3 4.47Å; A134-W145 PolarHBondContact N-O 3.34Å; A134-W145 PolarHBondContact O-N 2.89Å; W145-I155 HydrophobicContact CD2-CG1 3.98Å; W145-I155 HydrophobicContact CD2-CG2 4.44Å; W145-I155 HydrophobicContact CE3-CD1 4.15Å; W145-I155 HydrophobicContact CE3-CG1 3.93Å; W145-I155 HydrophobicContact CG-CG2 4.31Å; W145-I155 HydrophobicContact CH2-CG1 4.02Å; W145-I155 HydrophobicContact CZ2-CG1 4.07Å; W145-I155 HydrophobicContact CZ3-CD1 4.31Å; W145-I155 HydrophobicContact CZ3-CG1 3.96Å
146	C	91.5	Very high	82.3	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.02	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	135.9	173.5	-58.4	0	0	0	0	111	T93 P94 G95 F277	T93-C146 WeakPolarHBondContact O-CB 3.46Å; P94-C146 CarbonylContact C-O 3.07Å; P94-C146 WeakPolarHBondContact CA-O 3.25Å; G95-C146 PolarHBondContact N-O 3.41Å; G95-C146 PolarHBondContact O-N 3.06Å; C146-F277 VanDerWaalsContact SG-CE2 3.53Å; C146-F277 WeakPolarHBondContact SG-CZ 3.38Å
147	S	88.2	Confident	81.7	Confident	27 Å²	27	45.2 Å²	45.2	19%	0.189	22%	0.22	C	C	.	.			trans	-67.1	147	174.4	75.5	0	0	0	0	111.4	P131 V132 R149	P131-S147 WeakPolarHBondContact O-CB 3.18Å; V132-S147 WeakPolarHBondContact O-CB 3.41Å; V132-S147 PolarHBondContact O-N 2.88Å; V132-S147 PolarHBondContact O-OG 2.86Å; S147-R149 PolarHBondContact O-N 3.18Å
148	R	78.1	Confident	80.9	Confident	198 Å²	198	45.5 Å²	45.5	75%	0.747	22%	0.221	S	C	*	.	S	Bend	trans	-74.9	15.3	-178.8	-153.8	-177.7	-109.7	-168.1	-3.6	114.4	P94	P94-R148 HydrophobicContact CB-CB 3.97Å; P94-R148 HydrophobicContact CB-CG 3.77Å; P94-R148 HydrophobicContact CG-CB 4.48Å; P94-R148 HydrophobicContact CG-CG 4.01Å
149	R	59.6	Low	79.7	Confident	167 Å²	167	46.7 Å²	46.7	63%	0.63	23%	0.231	S	C	*	.	S	Bend	trans	82.2	96.5	-162.6	-59.6	175.4	82.4	139.2	1.2	114.1	S147 C151	S147-R149 PolarHBondContact O-N 3.18Å; R149-C151 PolarHBondContact O-N 3.28Å; R149-C151 PolarHBondContact O-SG 3.5Å
150	L	51	Low	78.5	Confident	90 Å²	90	47.8 Å²	47.8	47%	0.471	23%	0.232	S	C	.	.	S	Bend	trans	60.1	9.9	157.3	-72.1	164.7	0	0	0	117.1	D127 L270	D127-L150 HydrophobicContact CB-CD2 4.27Å; L150-L270 HydrophobicContact CD1-CD1 3.84Å; L150-L270 HydrophobicContact CD2-CD1 3.37Å; L150-L270 HydrophobicContact CG-CD1 3.56Å
151	C	39.8	Very low	77.1	Confident	78 Å²	78	46.1 Å²	46.1	53%	0.527	22%	0.221	S	C	.	.			trans	-92.8	136.4	177	-62.3	0	0	0	0	108.9	R149 N153	R149-C151 PolarHBondContact O-N 3.28Å; R149-C151 PolarHBondContact O-SG 3.5Å; C151-N153 PolarHBondContact O-N 2.89Å
152	Y	53.7	Low	75.8	Confident	125 Å²	125	53.5 Å²	53.5	49%	0.49	26%	0.255	S	S	.	.			trans	-52.4	36.7	-176.3	-77	-100.3	0	0	0	117.1	H130 L154	H130-Y152 AromaticContact CE1-CD1 3.37Å; H130-Y152 WeakPolarHBondContact CE1-CD1 3.49Å; H130-Y152 AromaticContact CE1-CE1 3.26Å; H130-Y152 WeakPolarHBondContact CE1-CE1 3.5Å; H130-Y152 AromaticContact CE1-CZ 3.84Å; H130-Y152 AromaticContact NE2-CE1 3.63Å; H130-Y152 AromaticContact NE2-CZ 3.7Å; Y152-L154 PolarHBondContact O-N 3.24Å
153	N	65.5	Low	74.1	Confident	88 Å²	88	55.4 Å²	55.4	47%	0.471	27%	0.269	S	S	.	.			trans	-91.4	109.6	-174	-67.6	-19.8	0	0	0	109.5	C151	C151-N153 PolarHBondContact O-N 2.89Å
154	L	76.5	Confident	72	Confident	19 Å²	19	61.9 Å²	61.9	10%	0.099	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-61.9	152.3	166.4	-62.2	176.1	0	0	0	110.4	Y152 P156 Y185 R187 Y190 L469 Y474	Y152-L154 PolarHBondContact O-N 3.24Å; L154-P156 WeakPolarHBondContact O-CD 3.29Å; L154-Y185 CarbonylContact C-O 3.54Å; L154-Y185 WeakPolarHBondContact CA-O 3.27Å; L154-Y185 WeakPolarHBondContact CB-O 3.38Å; L154-R187 HydrophobicContact CB-CB 3.73Å; L154-R187 HydrophobicContact CB-CG 4.34Å; L154-R187 HydrophobicContact CD1-CB 4.5Å; L154-Y190 HydrophobicContact CD1-CD2 3.21Å; L154-Y190 HydrophobicContact CD1-CE2 3.45Å; L154-Y190 VanDerWaalsContact CD1-CE2 3.45Å; L154-Y190 HydrophobicContact CD1-CG 3.83Å; L154-Y190 HydrophobicContact CD2-CE2 3.97Å; L154-Y190 HydrophobicContact CG-CD2 4.49Å; L154-Y190 HydrophobicContact CG-CE2 4.38Å; L154-L469 HydrophobicContact CD2-CD2 4.31Å; L154-Y474 HydrophobicContact CD1-CD2 4Å; L154-Y474 HydrophobicContact CD1-CE2 3.67Å
155	I	80.9	Confident	70.3	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-77.4	120.7	-176.8	-58.7	168	0	0	0	108.9	W96 F119 V121 P131 A134 W145 Y185 V186 R187	W96-I155 HydrophobicContact CH2-CG2 4.41Å; W96-I155 HydrophobicContact CZ2-CG2 3.4Å; F119-I155 HydrophobicContact CE2-CG2 4.26Å; F119-I155 HydrophobicContact CZ-CB 4.43Å; F119-I155 HydrophobicContact CZ-CD1 3.84Å; F119-I155 HydrophobicContact CZ-CG2 4.01Å; V121-I155 HydrophobicContact CB-CD1 4.34Å; V121-I155 HydrophobicContact CG1-CD1 3.76Å; V121-I155 HydrophobicContact CG2-CD1 3.57Å; P131-I155 HydrophobicContact CB-CD1 3.83Å; P131-I155 HydrophobicContact CB-CG1 4.12Å; P131-I155 HydrophobicContact CG-CD1 4.42Å; P131-I155 HydrophobicContact CG-CG1 4.19Å; A134-I155 HydrophobicContact CB-CD1 3.66Å; W145-I155 HydrophobicContact CD2-CG1 3.98Å; W145-I155 HydrophobicContact CD2-CG2 4.44Å; W145-I155 HydrophobicContact CE3-CD1 4.15Å; W145-I155 HydrophobicContact CE3-CG1 3.93Å; W145-I155 HydrophobicContact CG-CG2 4.31Å; W145-I155 HydrophobicContact CH2-CG1 4.02Å; W145-I155 HydrophobicContact CZ2-CG1 4.07Å; W145-I155 HydrophobicContact CZ3-CD1 4.31Å; W145-I155 HydrophobicContact CZ3-CG1 3.96Å; I155-Y185 PolarHBondContact N-O 3.47Å; I155-V186 WeakPolarHBondContact O-CA 3.46Å; I155-R187 PolarHBondContact O-N 2.79Å
156	P	82.7	Confident	68.5	Low	21 Å²	21	70.8 Å²	70.8	14%	0.136	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-78	123	176.5	31.6	-32.8	0	0	0	110	W96 L154	W96-P156 PolarHBondContact NE1-O 3.39Å; L154-P156 WeakPolarHBondContact O-CD 3.29Å
157	L	84.9	Confident	66.9	Low	1 Å²	1	74 Å²	74	1%	0.005	39%	0.393	C	S	.	.	S	Bend	trans	-105.6	-11.4	169.5	-69.5	-176.9	0	0	0	112.7	W96 P112 L117 F119 R172 V174 V186 E188 L197	W96-L157 HydrophobicContact CH2-CD2 4.28Å; W96-L157 HydrophobicContact CZ2-CD2 3.62Å; P112-L157 HydrophobicContact CG-CD2 4.32Å; L117-L157 HydrophobicContact CD1-CD2 4.16Å; F119-L157 HydrophobicContact CD1-CD1 4.34Å; F119-L157 HydrophobicContact CD2-CD2 4.45Å; F119-L157 HydrophobicContact CE1-CD1 4.28Å; F119-L157 HydrophobicContact CE2-CD2 4.25Å; F119-L157 HydrophobicContact CZ-CD2 4.49Å; L157-R172 PolarHBondContact O-NH1 2.95Å; L157-V174 HydrophobicContact CD1-CG2 3.94Å; L157-V186 HydrophobicContact CB-CG1 4.14Å; L157-V186 HydrophobicContact CD1-CB 4.38Å; L157-V186 HydrophobicContact CD1-CG1 3.8Å; L157-V186 HydrophobicContact CD1-CG2 3.59Å; L157-V186 HydrophobicContact CG-CG1 4Å; L157-V186 HydrophobicContact CG-CG2 4.26Å; L157-E188 PolarHBondContact N-OE1 2.97Å; L157-E188 PolarHBondContact N-OE2 3.27Å; L157-L197 HydrophobicContact CB-CD2 4.29Å; L157-L197 HydrophobicContact CD1-CD2 4.37Å
158	Q	80.7	Confident	65.9	Low	7 Å²	7	74.9 Å²	74.9	3%	0.033	40%	0.397	C	S	.	.	S	Bend	trans	-137.1	-172.8	173.9	-49	179.7	-38.3	0	0	109.3	F111 R187 E188	F111-Q158 WeakPolarHBondContact CD1-O 3.24Å; Q158-R187 PolarHBondContact O-NH2 3.47Å; Q158-E188 HydrophobicContact CB-CG 3.77Å; Q158-E188 HydrophobicContact CG-CG 4Å; Q158-E188 VanDerWaalsContact N-CD 3.32Å; Q158-E188 PolarHBondContact N-OE1 2.95Å
159	A	70	Confident	65.9	Low	27 Å²	27	67.5 Å²	67.5	22%	0.223	37%	0.372	C	S	.	.	S	Bend	trans	-67.6	172.1	171	0	0	0	0	0	111.4	F111 V168 R187	F111-A159 HydrophobicContact CE1-CB 4.02Å; F111-A159 HydrophobicContact CZ-CB 4.44Å; A159-V168 HydrophobicContact CB-CG1 3.42Å; A159-V168 VanDerWaalsContact CB-CG1 3.42Å; A159-R187 PolarHBondContact O-NH2 3Å
160	D	71.6	Confident	67.3	Low	80 Å²	80	64.1 Å²	64.1	43%	0.428	36%	0.359	S	S	.	.			trans	-57	152	-172.5	-155.8	-4.5	0	0	0	113.3	H162 S163 R187	D160-H162 PolarHBondContact O-N 3.5Å; D160-H162 VanDerWaalsContact O-N 3.09Å; D160-S163 VanDerWaalsContact O-CB 3.26Å; D160-S163 WeakPolarHBondContact O-CB 3.25Å; D160-S163 PolarHBondContact O-N 2.95Å; D160-R187 IonicContact OD1-CZ 3.21Å; D160-R187 IonicContact OD1-NH1 2.83Å
161	I	65.5	Low	69.3	Low	21 Å²	21	61.9 Å²	61.9	11%	0.108	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-33.1	-175	-63.8	174	0	0	0	111.4	R187 Y474	I161-R187 HydrophobicContact CD1-CG 3.94Å; I161-R187 HydrophobicContact CG1-CG 4.21Å; I161-Y474 HydrophobicContact CD1-CE1 3.87Å
162	H	67.7	Low	72	Confident	155 Å²	155	58.4 Å²	58.4	72%	0.718	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-4.3	-179.1	-60.3	-62.5	0	0	0	114.3	D160 T164	D160-H162 PolarHBondContact O-N 3.5Å; D160-H162 VanDerWaalsContact O-N 3.09Å; H162-T164 PolarHBondContact O-N 2.87Å; H162-T164 VanDerWaalsContact O-N 3.12Å
163	S	60.9	Low	74.1	Confident	42 Å²	42	52.5 Å²	52.5	29%	0.294	30%	0.299	S	S	.	.			trans	-64.4	116.1	174.1	-172.7	0	0	0	0	109.3	D160 D165	D160-S163 VanDerWaalsContact O-CB 3.26Å; D160-S163 WeakPolarHBondContact O-CB 3.25Å; D160-S163 PolarHBondContact O-N 2.95Å; S163-D165 VanDerWaalsContact C-N 3.28Å
164	T	54.5	Low	75.6	Confident	136 Å²	136	48.3 Å²	48.3	83%	0.834	28%	0.277	S	S	*	.			trans	-87	-1.4	174	47.9	0	0	0	0	112.3	H162 S166	H162-T164 PolarHBondContact O-N 2.87Å; H162-T164 VanDerWaalsContact O-N 3.12Å; T164-S166 PolarHBondContact O-N 3.11Å; T164-S166 VanDerWaalsContact O-N 3.13Å
165	D	59.3	Low	76.7	Confident	94 Å²	94	47.4 Å²	47.4	50%	0.503	27%	0.272	S	S	.	.			trans	-70.9	112.7	-175.3	-161.4	-12.4	0	0	0	110.6	S163 A167 V168	S163-D165 VanDerWaalsContact C-N 3.28Å; D165-A167 PolarHBondContact O-N 3.47Å; D165-A167 PolarHBondContact OD1-N 3.46Å; D165-V168 HydrophobicContact CB-CG2 3.96Å; D165-V168 WeakPolarHBondContact O-CB 3.39Å; D165-V168 PolarHBondContact O-N 3.32Å
166	S	56.4	Low	77.5	Confident	107 Å²	107	47.4 Å²	47.4	75%	0.748	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-23.4	-175.7	-57.5	0	0	0	0	112.1	T164 V168	T164-S166 PolarHBondContact O-N 3.11Å; T164-S166 VanDerWaalsContact O-N 3.13Å; S166-V168 PolarHBondContact O-N 2.99Å
167	A	58.2	Low	78.2	Confident	72 Å²	72	47.6 Å²	47.6	60%	0.595	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-22.4	174.3	0	0	0	0	0	112.6	D165	D165-A167 PolarHBondContact O-N 3.47Å; D165-A167 PolarHBondContact OD1-N 3.46Å
168	V	66.6	Low	78.7	Confident	44 Å²	44	50.2 Å²	50.2	27%	0.267	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-35	-175	-175	0	0	0	0	112.4	A159 D165 S166 R170	A159-V168 HydrophobicContact CB-CG1 3.42Å; A159-V168 VanDerWaalsContact CB-CG1 3.42Å; D165-V168 HydrophobicContact CB-CG2 3.96Å; D165-V168 WeakPolarHBondContact O-CB 3.39Å; D165-V168 PolarHBondContact O-N 3.32Å; S166-V168 PolarHBondContact O-N 2.99Å; V168-R170 PolarHBondContact O-N 3.34Å
169	D	77.8	Confident	79.3	Confident	44 Å²	44	50.3 Å²	50.3	24%	0.235	29%	0.286	C	S	.	.	S	Bend	trans	-81.7	59.9	176.3	-166.9	27.4	0	0	0	111.5	K196	D169-K196 VanDerWaalsContact O-CD 3.24Å; D169-K196 WeakPolarHBondContact O-CD 3.34Å; D169-K196 VanDerWaalsContact O-CE 3.28Å; D169-K196 WeakPolarHBondContact O-CE 3.34Å; D169-K196 PolarHBondContact O-NZ 3.05Å; D169-K196 PolarHBondContact OD1-N 3.49Å; D169-K196 VanDerWaalsContact OD1-N 3.07Å
170	R	88.7	Confident	80.4	Confident	95 Å²	95	49.1 Å²	49.1	36%	0.358	28%	0.277	S	S	.	.			trans	-93.5	155.5	174.2	69.9	-171	-165.8	-163.2	0.3	110.8	D113 D115 V168 R172	D113-R170 PolarHBondContact O-NH2 3.42Å; D115-R170 IonicContact OD1-CZ 2.68Å; D115-R170 IonicContact OD1-NE 3.1Å; D115-R170 PolarHBondContact OD1-NE 3.25Å; D115-R170 IonicContact OD1-NH2 2.69Å; D115-R170 PolarHBondContact OD1-NH2 3.36Å; D115-R170 IonicContact OD2-CZ 3.59Å; D115-R170 IonicContact OD2-NE 3.65Å; D115-R170 PolarHBondContact OD2-NE 3.03Å; D115-R170 IonicContact OD2-NH2 3.37Å; V168-R170 PolarHBondContact O-N 3.34Å; R170-R172 HydrophobicContact CG-CG 4.25Å; R170-R172 PolarHBondContact O-N 3.33Å
171	E	93.9	Very high	81.4	Confident	43 Å²	43	47.9 Å²	47.9	20%	0.201	27%	0.267	C	S	.	.			trans	-61.9	119.9	178.3	-62.2	75.6	-168.8	0	0	110.4	K70 Y71 K196	K70-E171 HydrophobicContact CB-CG 4.49Å; K70-E171 HydrophobicContact CD-CB 3.75Å; K70-E171 HydrophobicContact CD-CG 3.91Å; K70-E171 VanDerWaalsContact CD-OE2 3.29Å; K70-E171 WeakPolarHBondContact CD-OE2 3.26Å; K70-E171 VanDerWaalsContact CE-OE2 3.29Å; K70-E171 WeakPolarHBondContact CE-OE2 3.29Å; K70-E171 HydrophobicContact CG-CB 4.02Å; K70-E171 HydrophobicContact CG-CG 4.4Å; K70-E171 IonicContact NZ-OE2 2.67Å; K70-E171 PolarHBondContact NZ-OE2 3.22Å; Y71-E171 HydrophobicContact CD1-CB 4.3Å; Y71-E171 HydrophobicContact CE1-CB 3.69Å; Y71-E171 HydrophobicContact CE1-CG 4.23Å; Y71-E171 HydrophobicContact CE2-CG 4.3Å; E171-K196 HydrophobicContact CG-CB 4.39Å; E171-K196 HydrophobicContact CG-CD 3.94Å; E171-K196 VanDerWaalsContact OE1-CD 3.26Å; E171-K196 WeakPolarHBondContact OE1-CD 3.34Å; E171-K196 IonicContact OE1-NZ 2.75Å; E171-K196 PolarHBondContact OE1-NZ 3.08Å; E171-K196 IonicContact OE2-NZ 3.67Å
172	R	95.7	Very high	82.8	Confident	6 Å²	6	47 Å²	47	2%	0.023	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	146.7	177.6	-64.5	-177.3	71	-170.4	-2.6	109.7	P112 E114 D115 L157 R170 K196 L197 R198	P112-R172 PolarHBondContact O-NH2 3.31Å; E114-R172 VanDerWaalsContact O-CZ 3.25Å; E114-R172 PolarHBondContact O-NE 3.19Å; E114-R172 VanDerWaalsContact O-NE 3.1Å; E114-R172 PolarHBondContact O-NH2 3.38Å; D115-R172 HydrophobicContact CB-CG 4.13Å; D115-R172 CarbonylContact O-C 3.27Å; D115-R172 VanDerWaalsContact O-CA 3.29Å; D115-R172 WeakPolarHBondContact O-CA 3.46Å; D115-R172 WeakPolarHBondContact OD1-CG 3.32Å; D115-R172 IonicContact OD1-NE 3.82Å; L157-R172 PolarHBondContact O-NH1 2.95Å; R170-R172 HydrophobicContact CG-CG 4.25Å; R170-R172 PolarHBondContact O-N 3.33Å; R172-K196 PolarHBondContact N-O 3.4Å; R172-L197 HydrophobicContact CB-CD1 3.79Å; R172-R198 PolarHBondContact O-N 2.82Å
173	I	97.6	Very high	84.1	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.8	-179.5	-166.2	150.8	0	0	0	111.9	Y71 L74 L75 D115 A116 L117 R198 W200 L316	Y71-I173 HydrophobicContact CD1-CB 4.23Å; Y71-I173 HydrophobicContact CD1-CD1 4.38Å; L74-I173 HydrophobicContact CB-CG2 3.96Å; L74-I173 HydrophobicContact CD1-CG2 4.34Å; L75-I173 HydrophobicContact CD1-CD1 3.73Å; L75-I173 HydrophobicContact CD2-CD1 3.79Å; L75-I173 HydrophobicContact CD2-CG1 4.07Å; L75-I173 HydrophobicContact CD2-CG2 3.99Å; L75-I173 HydrophobicContact CG-CD1 3.81Å; L75-I173 HydrophobicContact CG-CG2 4.28Å; D115-I173 PolarHBondContact O-N 2.98Å; A116-I173 WeakPolarHBondContact CA-O 3.32Å; A116-I173 HydrophobicContact CB-CG2 4.02Å; L117-I173 PolarHBondContact N-O 2.96Å; L117-I173 VanDerWaalsContact N-O 3.16Å; I173-R198 WeakPolarHBondContact CA-O 3.28Å; I173-W200 HydrophobicContact CD1-CB 4.46Å; I173-L316 HydrophobicContact CD1-CD2 4.31Å
174	V	98	Very high	85.5	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	124.7	177.9	173.8	0	0	0	0	108.9	L117 F119 L157 L197 R198 F199 W200	L117-V174 HydrophobicContact CD1-CG2 4Å; L117-V174 HydrophobicContact CG-CG2 4.32Å; L117-V174 CarbonylContact O-C 3.53Å; L117-V174 WeakPolarHBondContact O-CA 3.25Å; F119-V174 HydrophobicContact CB-CG1 3.53Å; F119-V174 HydrophobicContact CD1-CG1 4.18Å; F119-V174 HydrophobicContact CG-CG1 4.26Å; L157-V174 HydrophobicContact CD1-CG2 3.94Å; V174-L197 HydrophobicContact CG2-CD1 3.84Å; V174-R198 PolarHBondContact N-O 3.48Å; V174-F199 HydrophobicContact CB-CD1 3.67Å; V174-F199 HydrophobicContact CB-CE1 3.87Å; V174-F199 HydrophobicContact CG1-CD1 3.92Å; V174-F199 HydrophobicContact CG1-CE1 4.09Å; V174-F199 HydrophobicContact CG2-CE1 4.3Å; V174-F199 CarbonylContact O-C 3.54Å; V174-F199 VanDerWaalsContact O-CA 3.23Å; V174-F199 WeakPolarHBondContact O-CA 3.39Å; V174-W200 PolarHBondContact O-N 3.37Å
175	I	98.5	Very high	87.2	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	133.1	174.8	-57.1	81.4	0	0	0	107.5	L75 F78 L117 V118 F119 W200 T202 T291 F295	L75-I175 HydrophobicContact CD2-CD1 3.86Å; L75-I175 HydrophobicContact CD2-CG1 3.91Å; F78-I175 HydrophobicContact CD1-CD1 3.85Å; F78-I175 HydrophobicContact CE1-CD1 3.97Å; L117-I175 VanDerWaalsContact O-CD1 3.25Å; L117-I175 WeakPolarHBondContact O-CD1 3.36Å; L117-I175 PolarHBondContact O-N 3.32Å; V118-I175 CarbonylContact C-O 3.57Å; V118-I175 VanDerWaalsContact CA-O 3.29Å; V118-I175 WeakPolarHBondContact CA-O 3.26Å; V118-I175 HydrophobicContact CG2-CB 4.12Å; V118-I175 HydrophobicContact CG2-CG2 4.47Å; F119-I175 PolarHBondContact N-O 2.94Å; I175-W200 WeakPolarHBondContact CA-O 3.48Å; I175-W200 HydrophobicContact CG1-CB 4.19Å; I175-T202 HydrophobicContact CG2-CG2 3.86Å; I175-T291 HydrophobicContact CG2-CG2 4.3Å; I175-F295 HydrophobicContact CG1-CD1 4.49Å; I175-F295 HydrophobicContact CG1-CD2 4.23Å; I175-F295 HydrophobicContact CG1-CE2 4.36Å; I175-F295 HydrophobicContact CG1-CG 4.31Å; I175-F295 HydrophobicContact CG2-CB 3.8Å; I175-F295 HydrophobicContact CG2-CD2 4.19Å; I175-F295 HydrophobicContact CG2-CG 3.94Å
176	G	97.7	Very high	88.8	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	171.2	174.4	0	0	0	0	0	111.5	W200 T202	G176-W200 PolarHBondContact N-O 2.99Å; G176-T202 PolarHBondContact O-N 2.67Å; G176-T202 PolarHBondContact O-OG1 2.68Å; G176-T202 VanDerWaalsContact O-OG1 3.06Å
177	H	97.4	Very high	90.4	Very high	25 Å²	25	23.8 Å²	23.8	12%	0.116	12%	0.124	C	C	.	.	S	Bend	trans	-109.8	117.8	170.7	-172	83.6	0	0	0	109.2	V179 T202 N240 L242 T291	H177-V179 VanDerWaalsContact C-N 3.27Å; H177-T202 VanDerWaalsContact CA-OG1 3.3Å; H177-T202 WeakPolarHBondContact CA-OG1 3.38Å; H177-T202 WeakPolarHBondContact CB-OG1 3.37Å; H177-T202 PolarHBondContact ND1-OG1 3.13Å; H177-N240 PolarHBondContact CE1-O 3Å; H177-N240 PolarHBondContact NE2-O 3.34Å; H177-L242 HydrophobicContact CB-CD1 4.09Å; H177-L242 WeakPolarHBondContact NE2-CA 3.37Å; H177-L242 PolarHBondContact NE2-N 3.02Å; H177-T291 HydrophobicContact CB-CG2 4.17Å
178	N	95.5	Very high	91.8	Very high	55 Å²	55	20.5 Å²	20.5	29%	0.294	10%	0.096	S	C	.	.	S	Bend	trans	58	44.6	-165.2	-175.2	40.2	0	0	0	111.4	G180 F181 D201 M203	N178-G180 PolarHBondContact O-N 3.4Å; N178-F181 WeakPolarHBondContact O-CB 3.49Å; N178-F181 PolarHBondContact O-N 2.94Å; N178-D201 WeakPolarHBondContact CA-OD1 3.38Å; N178-D201 PolarHBondContact N-OD1 2.9Å; N178-M203 HydrophobicContact CB-CE 3.61Å; N178-M203 HydrophobicContact CB-SD 4.01Å; N178-M203 WeakPolarHBondContact OD1-CE 3.36Å
179	V	94.8	Very high	92.9	Very high	9 Å²	9	18.6 Å²	18.6	6%	0.055	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-20.8	-170.4	80.2	0	0	0	0	114.2	H177 F181 D182 R183 F199 D201	H177-V179 VanDerWaalsContact C-N 3.27Å; V179-F181 PolarHBondContact O-N 3.09Å; V179-D182 WeakPolarHBondContact CA-OD2 3.42Å; V179-D182 PolarHBondContact O-N 2.79Å; V179-R183 WeakPolarHBondContact O-CB 3.5Å; V179-R183 PolarHBondContact O-N 2.94Å; V179-F199 HydrophobicContact CG1-CB 3.79Å; V179-F199 HydrophobicContact CG2-CB 3.98Å; V179-F199 HydrophobicContact CG2-CD1 3.59Å; V179-F199 HydrophobicContact CG2-CG 4.16Å; V179-D201 HydrophobicContact CB-CB 4.32Å; V179-D201 HydrophobicContact CG1-CB 3.64Å
180	G	93.1	Very high	93.5	Very high	3 Å²	3	16.7 Å²	16.7	3%	0.031	7%	0.074	C	C	.	.	H	α-helix	trans	-56.2	-34.2	173.5	0	0	0	0	0	112.3	N178 A184 R480	N178-G180 PolarHBondContact O-N 3.4Å; G180-A184 PolarHBondContact O-N 3.41Å; G180-R480 WeakPolarHBondContact O-CG 3.38Å
181	F	92.3	Very high	93.5	Very high	53 Å²	53	12.4 Å²	12.4	23%	0.232	6%	0.059	C	C	.	.	H	α-helix	trans	-63.9	-56.5	173.6	-178	-92.8	0	0	0	111.5	V123 N178 V179 R183 A184 Y185 R480	V123-F181 HydrophobicContact CG2-CE1 4.47Å; V123-F181 HydrophobicContact CG2-CZ 4.12Å; N178-F181 WeakPolarHBondContact O-CB 3.49Å; N178-F181 PolarHBondContact O-N 2.94Å; V179-F181 PolarHBondContact O-N 3.09Å; F181-R183 PolarHBondContact O-N 3.37Å; F181-A184 WeakPolarHBondContact O-CB 3.44Å; F181-A184 PolarHBondContact O-N 2.87Å; F181-Y185 HydrophobicContact CD1-CE2 4.03Å; F181-Y185 HydrophobicContact CD2-CE2 4.47Å; F181-Y185 HydrophobicContact CE1-CD2 4.45Å; F181-Y185 AromaticContact CE1-CE2 3.68Å; F181-Y185 HydrophobicContact CE1-CE2 3.68Å; F181-Y185 HydrophobicContact CE2-CE2 4.15Å; F181-Y185 HydrophobicContact CG-CE2 4.4Å; F181-Y185 AromaticContact CZ-CE2 3.74Å; F181-Y185 HydrophobicContact CZ-CE2 3.74Å; F181-Y185 VanDerWaalsContact O-CD2 3.23Å; F181-Y185 WeakPolarHBondContact O-CD2 3.3Å; F181-Y185 WeakPolarHBondContact O-CE2 3.32Å; F181-R480 VanDerWaalsContact CD2-NH1 3.34Å
182	D	94.1	Very high	93.3	Very high	3 Å²	3	12.9 Å²	12.9	2%	0.016	6%	0.062	C	C	.	.	H	α-helix	trans	-62.9	-44	-177.4	-48.7	-66.7	0	0	0	111.6	F119 V121 V179 A184 Y185	F119-D182 HydrophobicContact CD1-CB 3.99Å; F119-D182 HydrophobicContact CE1-CB 4.03Å; V121-D182 HydrophobicContact CG2-CB 4.1Å; V121-D182 PolarHBondContact N-OD1 3.03Å; V179-D182 WeakPolarHBondContact CA-OD2 3.42Å; V179-D182 PolarHBondContact O-N 2.79Å; D182-A184 PolarHBondContact O-N 3.21Å; D182-A184 VanDerWaalsContact O-N 3.15Å; D182-Y185 PolarHBondContact O-N 3.46Å
183	R	94.3	Very high	92.9	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.008	8%	0.082	C	C	.	.	H	α-helix	trans	-52.3	-37.7	176.6	178.1	-173.7	169.6	-101.4	-6.6	111.7	V179 F181 Y185 V186 Q189 F199 G319 T320 S321 M478 P479	V179-R183 WeakPolarHBondContact O-CB 3.5Å; V179-R183 PolarHBondContact O-N 2.94Å; F181-R183 PolarHBondContact O-N 3.37Å; R183-Y185 PolarHBondContact O-N 3.37Å; R183-Y185 VanDerWaalsContact O-N 3.14Å; R183-V186 WeakPolarHBondContact O-CB 3.37Å; R183-V186 PolarHBondContact O-N 3.42Å; R183-Q189 HydrophobicContact CG-CG 3.76Å; R183-F199 HydrophobicContact CB-CD1 4.34Å; R183-F199 HydrophobicContact CB-CE1 4.11Å; R183-F199 HydrophobicContact CB-CZ 4.21Å; R183-F199 HydrophobicContact CG-CD2 4.11Å; R183-F199 HydrophobicContact CG-CE1 4.15Å; R183-F199 HydrophobicContact CG-CE2 3.73Å; R183-F199 HydrophobicContact CG-CZ 3.75Å; R183-G319 VanDerWaalsContact CD-O 3.24Å; R183-G319 WeakPolarHBondContact CD-O 3.45Å; R183-G319 VanDerWaalsContact CZ-O 3.28Å; R183-G319 PolarHBondContact NE-O 2.82Å; R183-T320 PolarHBondContact NH2-O 3.38Å; R183-S321 PolarHBondContact NH1-O 2.97Å; R183-S321 VanDerWaalsContact NH1-O 3.1Å; R183-S321 PolarHBondContact NH2-O 3.01Å; R183-M478 PolarHBondContact NH1-SD 3.38Å; R183-M478 PolarHBondContact NH2-SD 3.49Å; R183-P479 PolarHBondContact NH1-O 2.98Å
184	A	91	Very high	92.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-19.1	-179.6	0	0	0	0	0	112.8	G180 F181 D182 Y190 L469 M478 R480	G180-A184 PolarHBondContact O-N 3.41Å; F181-A184 WeakPolarHBondContact O-CB 3.44Å; F181-A184 PolarHBondContact O-N 2.87Å; D182-A184 PolarHBondContact O-N 3.21Å; D182-A184 VanDerWaalsContact O-N 3.15Å; A184-Y190 VanDerWaalsContact O-CE2 3.27Å; A184-Y190 WeakPolarHBondContact O-CE2 3.35Å; A184-Y190 PolarHBondContact O-OH 3.43Å; A184-L469 HydrophobicContact CB-CB 3.86Å; A184-L469 WeakPolarHBondContact O-CD2 3.45Å; A184-M478 HydrophobicContact CB-CB 4.22Å; A184-M478 HydrophobicContact CB-CG 4.47Å; A184-R480 HydrophobicContact CB-CG 4.4Å
185	Y	91.4	Very high	92	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-1.6	177	-55.9	-75.4	0	0	0	113.6	V121 V123 N129 P131 L154 I155 F181 D182 R183 L469 R480	V121-Y185 HydrophobicContact CB-CD2 4.36Å; V121-Y185 HydrophobicContact CG1-CD2 3.94Å; V121-Y185 HydrophobicContact CG1-CG 4.14Å; V123-Y185 HydrophobicContact CG2-CE1 3.91Å; V123-Y185 HydrophobicContact CG2-CE2 3.94Å; N129-Y185 PolarHBondContact OD1-OH 2.92Å; P131-Y185 HydrophobicContact CB-CD1 4.19Å; P131-Y185 HydrophobicContact CB-CG 4.3Å; P131-Y185 HydrophobicContact CG-CD1 4.15Å; L154-Y185 CarbonylContact C-O 3.54Å; L154-Y185 WeakPolarHBondContact CA-O 3.27Å; L154-Y185 WeakPolarHBondContact CB-O 3.38Å; I155-Y185 PolarHBondContact N-O 3.47Å; F181-Y185 HydrophobicContact CD1-CE2 4.03Å; F181-Y185 HydrophobicContact CD2-CE2 4.47Å; F181-Y185 HydrophobicContact CE1-CD2 4.45Å; F181-Y185 AromaticContact CE1-CE2 3.68Å; F181-Y185 HydrophobicContact CE1-CE2 3.68Å; F181-Y185 HydrophobicContact CE2-CE2 4.15Å; F181-Y185 HydrophobicContact CG-CE2 4.4Å; F181-Y185 AromaticContact CZ-CE2 3.74Å; F181-Y185 HydrophobicContact CZ-CE2 3.74Å; F181-Y185 VanDerWaalsContact O-CD2 3.23Å; F181-Y185 WeakPolarHBondContact O-CD2 3.3Å; F181-Y185 WeakPolarHBondContact O-CE2 3.32Å; D182-Y185 PolarHBondContact O-N 3.46Å; R183-Y185 PolarHBondContact O-N 3.37Å; R183-Y185 VanDerWaalsContact O-N 3.14Å; Y185-L469 HydrophobicContact CD1-CD2 3.53Å; Y185-L469 HydrophobicContact CE1-CD1 3.95Å; Y185-L469 HydrophobicContact CE1-CD2 3.57Å; Y185-L469 HydrophobicContact CE1-CG 4.36Å; Y185-L469 HydrophobicContact CG-CD2 4.4Å; Y185-R480 PolarHBondContact OH-NH2 3.33Å
186	V	92.1	Very high	91.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-81.5	126	178.3	177.5	0	0	0	0	110.3	F119 I155 L157 R183 E188 Q189 Y190 L197 F199	F119-V186 HydrophobicContact CE1-CG2 3.83Å; F119-V186 HydrophobicContact CZ-CG2 4.46Å; I155-V186 WeakPolarHBondContact O-CA 3.46Å; L157-V186 HydrophobicContact CB-CG1 4.14Å; L157-V186 HydrophobicContact CD1-CB 4.38Å; L157-V186 HydrophobicContact CD1-CG1 3.8Å; L157-V186 HydrophobicContact CD1-CG2 3.59Å; L157-V186 HydrophobicContact CG-CG1 4Å; L157-V186 HydrophobicContact CG-CG2 4.26Å; R183-V186 WeakPolarHBondContact O-CB 3.37Å; R183-V186 PolarHBondContact O-N 3.42Å; V186-E188 HydrophobicContact CG1-CB 4.47Å; V186-E188 VanDerWaalsContact CG1-OE2 3.25Å; V186-E188 WeakPolarHBondContact CG1-OE2 3.47Å; V186-E188 PolarHBondContact O-N 3.24Å; V186-Q189 HydrophobicContact CB-CG 3.94Å; V186-Q189 HydrophobicContact CG1-CG 4.03Å; V186-Q189 PolarHBondContact O-N 3.21Å; V186-Y190 WeakPolarHBondContact O-CD2 3.46Å; V186-L197 HydrophobicContact CG1-CD2 3.96Å; V186-F199 HydrophobicContact CG2-CE1 4.43Å
187	R	88.8	Confident	91.6	Very high	44 Å²	44	23.5 Å²	23.5	17%	0.166	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-60.1	-46.4	-174.5	-179.1	-175.9	61.7	179.1	-7.2	112.7	L154 I155 Q158 A159 D160 I161 Q189 Y190	L154-R187 HydrophobicContact CB-CB 3.73Å; L154-R187 HydrophobicContact CB-CG 4.34Å; L154-R187 HydrophobicContact CD1-CB 4.5Å; I155-R187 PolarHBondContact O-N 2.79Å; Q158-R187 PolarHBondContact O-NH2 3.47Å; A159-R187 PolarHBondContact O-NH2 3Å; D160-R187 IonicContact OD1-CZ 3.21Å; D160-R187 IonicContact OD1-NH1 2.83Å; I161-R187 HydrophobicContact CD1-CG 3.94Å; I161-R187 HydrophobicContact CG1-CG 4.21Å; R187-Q189 PolarHBondContact O-N 2.99Å; R187-Q189 VanDerWaalsContact O-N 3.15Å; R187-Y190 PolarHBondContact O-N 2.96Å
188	E	88.1	Confident	91.6	Very high	3 Å²	3	22.3 Å²	22.3	1%	0.014	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-63.4	-24.7	-172.4	-66.3	67.5	-146.4	0	0	112.3	L157 Q158 V186 Y190 S191	L157-E188 PolarHBondContact N-OE1 2.97Å; L157-E188 PolarHBondContact N-OE2 3.27Å; Q158-E188 HydrophobicContact CB-CG 3.77Å; Q158-E188 HydrophobicContact CG-CG 4Å; Q158-E188 VanDerWaalsContact N-CD 3.32Å; Q158-E188 PolarHBondContact N-OE1 2.95Å; V186-E188 HydrophobicContact CG1-CB 4.47Å; V186-E188 VanDerWaalsContact CG1-OE2 3.25Å; V186-E188 WeakPolarHBondContact CG1-OE2 3.47Å; V186-E188 PolarHBondContact O-N 3.24Å; E188-Y190 PolarHBondContact O-N 3.31Å; E188-S191 WeakPolarHBondContact O-CB 3.38Å; E188-S191 PolarHBondContact O-N 3.17Å; E188-S191 VanDerWaalsContact O-N 3.13Å
189	Q	91.1	Very high	91.7	Very high	4 Å²	4	20.3 Å²	20.3	2%	0.019	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-66.8	-22.3	178.2	-63.1	-58.2	-63.3	0	0	112.9	R183 V186 R187 S191 F199 M478 R756	R183-Q189 HydrophobicContact CG-CG 3.76Å; V186-Q189 HydrophobicContact CB-CG 3.94Å; V186-Q189 HydrophobicContact CG1-CG 4.03Å; V186-Q189 PolarHBondContact O-N 3.21Å; R187-Q189 PolarHBondContact O-N 2.99Å; R187-Q189 VanDerWaalsContact O-N 3.15Å; Q189-S191 VanDerWaalsContact C-N 3.32Å; Q189-F199 HydrophobicContact CG-CE2 4.05Å; Q189-F199 HydrophobicContact CG-CZ 3.92Å; Q189-M478 VanDerWaalsContact C-CE 3.43Å; Q189-M478 HydrophobicContact CB-CE 3.91Å; Q189-M478 HydrophobicContact CB-SD 4.11Å; Q189-M478 WeakPolarHBondContact O-CE 3.36Å; Q189-R756 PolarHBondContact O-NH2 3.01Å
190	Y	90.2	Very high	91.8	Very high	4 Å²	4	20.3 Å²	20.3	2%	0.016	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-86.2	1.1	176.6	-69.8	-94.1	0	0	0	114	L154 A184 V186 R187 E188 L469 C471 Y474 M478	L154-Y190 HydrophobicContact CD1-CD2 3.21Å; L154-Y190 HydrophobicContact CD1-CE2 3.45Å; L154-Y190 VanDerWaalsContact CD1-CE2 3.45Å; L154-Y190 HydrophobicContact CD1-CG 3.83Å; L154-Y190 HydrophobicContact CD2-CE2 3.97Å; L154-Y190 HydrophobicContact CG-CD2 4.49Å; L154-Y190 HydrophobicContact CG-CE2 4.38Å; A184-Y190 VanDerWaalsContact O-CE2 3.27Å; A184-Y190 WeakPolarHBondContact O-CE2 3.35Å; A184-Y190 PolarHBondContact O-OH 3.43Å; V186-Y190 WeakPolarHBondContact O-CD2 3.46Å; R187-Y190 PolarHBondContact O-N 2.96Å; E188-Y190 PolarHBondContact O-N 3.31Å; Y190-L469 PolarHBondContact OH-O 2.88Å; Y190-C471 HydrophobicContact CD1-CB 3.69Å; Y190-C471 HydrophobicContact CE1-CB 3.36Å; Y190-C471 HydrophobicContact CG-CB 4.48Å; Y190-Y474 HydrophobicContact CD1-CD2 4.07Å; Y190-Y474 HydrophobicContact CD1-CG 4.45Å; Y190-Y474 AromaticContact CG-CD2 3.87Å; Y190-Y474 HydrophobicContact CG-CD2 3.87Å; Y190-Y474 HydrophobicContact CG-CG 4.43Å; Y190-M478 HydrophobicContact CD1-CE 3.56Å; Y190-M478 HydrophobicContact CD2-CE 3.62Å; Y190-M478 HydrophobicContact CE1-CB 4.35Å; Y190-M478 HydrophobicContact CE1-CE 3.62Å; Y190-M478 HydrophobicContact CE2-CE 3.71Å; Y190-M478 HydrophobicContact CG-CE 3.56Å
191	S	88.4	Confident	92.1	Very high	5 Å²	5	20.7 Å²	20.7	4%	0.035	10%	0.096	C	C	.	.			trans	-59.6	146.5	166.5	-169.7	0	0	0	0	109.6	E188 Q189 Q193 R756	E188-S191 WeakPolarHBondContact O-CB 3.38Å; E188-S191 PolarHBondContact O-N 3.17Å; E188-S191 VanDerWaalsContact O-N 3.13Å; Q189-S191 VanDerWaalsContact C-N 3.32Å; S191-Q193 VanDerWaalsContact C-N 3.32Å; S191-Q193 PolarHBondContact OG-N 3.01Å; S191-R756 PolarHBondContact O-NH1 3.33Å
192	I	89	Confident	92.3	Very high	53 Å²	53	18.2 Å²	18.2	27%	0.272	9%	0.085	S	C	.	.	S	Bend	trans	-75	-30.8	170	-67.3	165.4	0	0	0	110.3	Y322 P520 Y523 R756 L768	I192-Y322 WeakPolarHBondContact CG1-OH 3.42Å; I192-P520 HydrophobicContact CD1-CB 4.35Å; I192-P520 HydrophobicContact CD1-CG 3.86Å; I192-Y523 HydrophobicContact CG2-CD1 4.08Å; I192-Y523 HydrophobicContact CG2-CD2 4.45Å; I192-Y523 HydrophobicContact CG2-CE1 3.56Å; I192-Y523 HydrophobicContact CG2-CE2 3.98Å; I192-R756 VanDerWaalsContact O-CD 3.23Å; I192-R756 WeakPolarHBondContact O-CD 3.45Å; I192-L768 HydrophobicContact CG2-CD2 3.96Å
193	Q	88.1	Confident	92.5	Very high	96 Å²	96	18.8 Å²	18.8	45%	0.449	9%	0.087	S	C	.	.	S	Bend	trans	-74.5	145.4	178.1	-63.7	-179.6	-11.3	0	0	110.1	S191 K195 R756	S191-Q193 VanDerWaalsContact C-N 3.32Å; S191-Q193 PolarHBondContact OG-N 3.01Å; Q193-K195 PolarHBondContact O-N 3.35Å; Q193-R756 PolarHBondContact O-NH1 3.02Å
194	D	87.7	Confident	92.6	Very high	45 Å²	45	18.7 Å²	18.7	24%	0.241	9%	0.087	C	C	.	.			trans	-71	105.8	170.2	178.7	33.5	0	0	0	109	R198 R745 R756	D194-R198 VanDerWaalsContact CG-NH2 3.31Å; D194-R198 IonicContact OD1-CZ 3.92Å; D194-R198 IonicContact OD1-NH1 3.95Å; D194-R198 PolarHBondContact OD1-NH1 3.36Å; D194-R198 IonicContact OD1-NH2 3.36Å; D194-R198 PolarHBondContact OD1-NH2 2.72Å; D194-R198 IonicContact OD2-NH2 3.54Å; D194-R198 PolarHBondContact OD2-NH2 2.88Å; D194-R745 IonicContact OD2-CZ 3.99Å; D194-R745 IonicContact OD2-NH1 3.78Å; D194-R745 PolarHBondContact OD2-NH1 3.48Å; D194-R756 HydrophobicContact CB-CB 4.41Å; D194-R756 HydrophobicContact CB-CG 4.29Å
195	K	89.1	Confident	92.9	Very high	19 Å²	19	18.9 Å²	18.9	8%	0.083	9%	0.088	C	C	.	.			trans	-83.3	156.7	174.2	-65.7	-64.1	-173.3	178.1	0	109.9	Q193 L197 R198	Q193-K195 PolarHBondContact O-N 3.35Å; K195-L197 PolarHBondContact O-N 3.46Å; K195-L197 VanDerWaalsContact O-N 3.17Å; K195-R198 PolarHBondContact O-NH1 3.37Å
196	K	92.5	Very high	93.2	Very high	68 Å²	68	18.9 Å²	18.9	30%	0.296	9%	0.088	S	C	.	.	S	Bend	trans	-80.7	12.1	-177.7	-55.3	-167.1	-169	175.3	0	115.6	Y71 D169 E171 R172	Y71-K196 WeakPolarHBondContact CE1-O 3.32Å; Y71-K196 PolarHBondContact OH-O 2.85Å; D169-K196 VanDerWaalsContact O-CD 3.24Å; D169-K196 WeakPolarHBondContact O-CD 3.34Å; D169-K196 VanDerWaalsContact O-CE 3.28Å; D169-K196 WeakPolarHBondContact O-CE 3.34Å; D169-K196 PolarHBondContact O-NZ 3.05Å; D169-K196 PolarHBondContact OD1-N 3.49Å; D169-K196 VanDerWaalsContact OD1-N 3.07Å; E171-K196 HydrophobicContact CG-CB 4.39Å; E171-K196 HydrophobicContact CG-CD 3.94Å; E171-K196 VanDerWaalsContact OE1-CD 3.26Å; E171-K196 WeakPolarHBondContact OE1-CD 3.34Å; E171-K196 IonicContact OE1-NZ 2.75Å; E171-K196 PolarHBondContact OE1-NZ 3.08Å; E171-K196 IonicContact OE2-NZ 3.67Å; R172-K196 PolarHBondContact N-O 3.4Å
197	L	94.8	Very high	93.4	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.01	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	127.1	171.9	-173.2	59.9	0	0	0	109.6	L157 R172 V174 V186 K195 F199	L157-L197 HydrophobicContact CB-CD2 4.29Å; L157-L197 HydrophobicContact CD1-CD2 4.37Å; R172-L197 HydrophobicContact CB-CD1 3.79Å; V174-L197 HydrophobicContact CG2-CD1 3.84Å; V186-L197 HydrophobicContact CG1-CD2 3.96Å; K195-L197 PolarHBondContact O-N 3.46Å; K195-L197 VanDerWaalsContact O-N 3.17Å; L197-F199 HydrophobicContact CD2-CE2 4.36Å; L197-F199 HydrophobicContact CD2-CZ 3.76Å; L197-F199 HydrophobicContact CG-CE2 4.14Å; L197-F199 HydrophobicContact CG-CZ 3.93Å
198	R	96.7	Very high	93.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	161.2	176.2	-66	-64.2	-179.2	-92.6	8.5	111	Y71 R172 I173 V174 D194 K195 L316 E317	Y71-R198 HydrophobicContact CD1-CB 4.15Å; Y71-R198 HydrophobicContact CD1-CG 4.3Å; Y71-R198 HydrophobicContact CE1-CB 3.83Å; Y71-R198 HydrophobicContact CE1-CG 3.63Å; Y71-R198 HydrophobicContact CE2-CG 4.03Å; Y71-R198 VanDerWaalsContact CZ-CG 3.48Å; R172-R198 PolarHBondContact O-N 2.82Å; I173-R198 WeakPolarHBondContact CA-O 3.28Å; V174-R198 PolarHBondContact N-O 3.48Å; D194-R198 VanDerWaalsContact CG-NH2 3.31Å; D194-R198 IonicContact OD1-CZ 3.92Å; D194-R198 IonicContact OD1-NH1 3.95Å; D194-R198 PolarHBondContact OD1-NH1 3.36Å; D194-R198 IonicContact OD1-NH2 3.36Å; D194-R198 PolarHBondContact OD1-NH2 2.72Å; D194-R198 IonicContact OD2-NH2 3.54Å; D194-R198 PolarHBondContact OD2-NH2 2.88Å; K195-R198 PolarHBondContact O-NH1 3.37Å; R198-L316 HydrophobicContact CB-CB 4.42Å; R198-L316 HydrophobicContact CB-CD1 4.19Å; R198-L316 HydrophobicContact CB-CD2 4.2Å; R198-L316 WeakPolarHBondContact CD-O 3.23Å; R198-L316 HydrophobicContact CG-CB 4.3Å; R198-L316 HydrophobicContact CG-CD1 4.31Å; R198-E317 IonicContact CZ-OE1 3.14Å; R198-E317 IonicContact NE-OE1 3.44Å; R198-E317 PolarHBondContact NE-OE1 2.74Å; R198-E317 IonicContact NH2-OE1 2.66Å; R198-E317 PolarHBondContact NH2-OE1 3.1Å; R198-E317 IonicContact NH2-OE2 3.2Å
199	F	97.7	Very high	94.1	Very high	14 Å²	14	17 Å²	17	6%	0.061	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	137.5	-175.1	-59	-92.9	0	0	0	111.2	V174 V179 R183 V186 Q189 L197 L316	V174-F199 HydrophobicContact CB-CD1 3.67Å; V174-F199 HydrophobicContact CB-CE1 3.87Å; V174-F199 HydrophobicContact CG1-CD1 3.92Å; V174-F199 HydrophobicContact CG1-CE1 4.09Å; V174-F199 HydrophobicContact CG2-CE1 4.3Å; V174-F199 CarbonylContact O-C 3.54Å; V174-F199 VanDerWaalsContact O-CA 3.23Å; V174-F199 WeakPolarHBondContact O-CA 3.39Å; V179-F199 HydrophobicContact CG1-CB 3.79Å; V179-F199 HydrophobicContact CG2-CB 3.98Å; V179-F199 HydrophobicContact CG2-CD1 3.59Å; V179-F199 HydrophobicContact CG2-CG 4.16Å; R183-F199 HydrophobicContact CB-CD1 4.34Å; R183-F199 HydrophobicContact CB-CE1 4.11Å; R183-F199 HydrophobicContact CB-CZ 4.21Å; R183-F199 HydrophobicContact CG-CD2 4.11Å; R183-F199 HydrophobicContact CG-CE1 4.15Å; R183-F199 HydrophobicContact CG-CE2 3.73Å; R183-F199 HydrophobicContact CG-CZ 3.75Å; V186-F199 HydrophobicContact CG2-CE1 4.43Å; Q189-F199 HydrophobicContact CG-CE2 4.05Å; Q189-F199 HydrophobicContact CG-CZ 3.92Å; L197-F199 HydrophobicContact CD2-CE2 4.36Å; L197-F199 HydrophobicContact CD2-CZ 3.76Å; L197-F199 HydrophobicContact CG-CE2 4.14Å; L197-F199 HydrophobicContact CG-CZ 3.93Å; F199-L316 VanDerWaalsContact O-CD2 3.27Å; F199-L316 WeakPolarHBondContact O-CD2 3.16Å
200	W	97.8	Very high	94.2	Very high	8 Å²	8	16.8 Å²	16.8	3%	0.03	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	117.2	169.2	-177	-73.8	0	0	0	109.2	L75 I173 V174 I175 G176 T205 F302 W303 F312	L75-W200 HydrophobicContact CD1-CD2 4.24Å; L75-W200 HydrophobicContact CD1-CE3 3.37Å; L75-W200 HydrophobicContact CD1-CZ3 3.63Å; L75-W200 HydrophobicContact CD2-CB 4.49Å; I173-W200 HydrophobicContact CD1-CB 4.46Å; V174-W200 PolarHBondContact O-N 3.37Å; I175-W200 WeakPolarHBondContact CA-O 3.48Å; I175-W200 HydrophobicContact CG1-CB 4.19Å; G176-W200 PolarHBondContact N-O 2.99Å; W200-T205 HydrophobicContact CZ2-CG2 4.02Å; W200-T205 PolarHBondContact NE1-OG1 3.41Å; W200-F302 HydrophobicContact CH2-CB 4.11Å; W200-F302 AromaticContact CH2-CD1 3.56Å; W200-F302 HydrophobicContact CH2-CD1 3.56Å; W200-F302 HydrophobicContact CH2-CD2 4.25Å; W200-F302 HydrophobicContact CH2-CE1 4.02Å; W200-F302 AromaticContact CH2-CG 3.7Å; W200-F302 HydrophobicContact CH2-CG 3.7Å; W200-F302 HydrophobicContact CZ2-CB 4.16Å; W200-F302 HydrophobicContact CZ2-CD1 4.36Å; W200-F302 HydrophobicContact CZ2-CD2 4.37Å; W200-F302 HydrophobicContact CZ2-CG 4.04Å; W200-F302 HydrophobicContact CZ3-CD1 4.39Å; W200-F302 HydrophobicContact CZ3-CE1 4.47Å; W200-W303 AromaticContact CH2-CH2 3.91Å; W200-W303 HydrophobicContact CH2-CH2 3.91Å; W200-W303 AromaticContact CH2-CZ2 3.93Å; W200-W303 HydrophobicContact CH2-CZ2 3.93Å; W200-W303 AromaticContact CZ3-CH2 3.68Å; W200-W303 HydrophobicContact CZ3-CH2 3.68Å; W200-W303 AromaticContact CZ3-CZ2 3.9Å; W200-W303 HydrophobicContact CZ3-CZ2 3.9Å; W200-F312 HydrophobicContact CE3-CD2 4.2Å; W200-F312 AromaticContact CE3-CE2 3.49Å; W200-F312 HydrophobicContact CE3-CE2 3.49Å; W200-F312 VanDerWaalsContact CE3-CE2 3.49Å; W200-F312 HydrophobicContact CE3-CZ 4.29Å; W200-F312 AromaticContact CZ3-CD2 3.64Å; W200-F312 HydrophobicContact CZ3-CD2 3.64Å; W200-F312 AromaticContact CZ3-CE2 3.28Å; W200-F312 HydrophobicContact CZ3-CE2 3.28Å; W200-F312 HydrophobicContact CZ3-CZ 4.1Å
201	D	98.2	Very high	94.3	Very high	12 Å²	12	16.6 Å²	16.6	6%	0.064	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	114	177.2	-177.2	15.3	0	0	0	111.3	N178 V179 M203 S204 T205	N178-D201 WeakPolarHBondContact CA-OD1 3.38Å; N178-D201 PolarHBondContact N-OD1 2.9Å; V179-D201 HydrophobicContact CB-CB 4.32Å; V179-D201 HydrophobicContact CG1-CB 3.64Å; D201-M203 VanDerWaalsContact C-N 3.26Å; D201-M203 PolarHBondContact O-N 3.28Å; D201-M203 WeakPolarHBondContact OD1-CB 3.49Å; D201-M203 PolarHBondContact OD1-N 2.92Å; D201-S204 VanDerWaalsContact CG-N 3.34Å; D201-S204 VanDerWaalsContact OD2-CB 3.28Å; D201-S204 WeakPolarHBondContact OD2-CB 3.29Å; D201-S204 PolarHBondContact OD2-N 3.26Å; D201-S204 PolarHBondContact OD2-OG 3.38Å; D201-T205 WeakPolarHBondContact O-CB 3.27Å; D201-T205 PolarHBondContact O-N 2.77Å; D201-T205 PolarHBondContact O-OG1 3.06Å
202	T	98.2	Very high	94.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-66.1	-29.6	175.2	59.4	0	0	0	0	112.1	I175 G176 H177 H206 T291 V294 F295 L298	I175-T202 HydrophobicContact CG2-CG2 3.86Å; G176-T202 PolarHBondContact O-N 2.67Å; G176-T202 PolarHBondContact O-OG1 2.68Å; G176-T202 VanDerWaalsContact O-OG1 3.06Å; H177-T202 VanDerWaalsContact CA-OG1 3.3Å; H177-T202 WeakPolarHBondContact CA-OG1 3.38Å; H177-T202 WeakPolarHBondContact CB-OG1 3.37Å; H177-T202 PolarHBondContact ND1-OG1 3.13Å; T202-H206 WeakPolarHBondContact O-CB 3.17Å; T202-H206 PolarHBondContact O-N 3.29Å; T202-T291 HydrophobicContact CG2-CG2 4.03Å; T202-V294 HydrophobicContact CG2-CG1 4.31Å; T202-F295 HydrophobicContact CG2-CB 3.84Å; T202-L298 WeakPolarHBondContact O-CD1 3.22Å
203	M	97.2	Very high	94.1	Very high	15 Å²	15	15.9 Å²	15.9	7%	0.074	8%	0.08	C	C	.	.	H	α-helix	trans	-69.8	-51.2	176.2	-172.9	-179	62.4	0	0	111	N178 D201 T205 H206 I207 N240 I482	N178-M203 HydrophobicContact CB-CE 3.61Å; N178-M203 HydrophobicContact CB-SD 4.01Å; N178-M203 WeakPolarHBondContact OD1-CE 3.36Å; D201-M203 VanDerWaalsContact C-N 3.26Å; D201-M203 PolarHBondContact O-N 3.28Å; D201-M203 WeakPolarHBondContact OD1-CB 3.49Å; D201-M203 PolarHBondContact OD1-N 2.92Å; M203-T205 VanDerWaalsContact C-N 3.26Å; M203-T205 PolarHBondContact O-N 3.15Å; M203-H206 WeakPolarHBondContact O-CB 3.12Å; M203-H206 PolarHBondContact O-N 3.16Å; M203-H206 VanDerWaalsContact O-N 3.15Å; M203-I207 HydrophobicContact CG-CD1 3.98Å; M203-I207 WeakPolarHBondContact O-CG1 3.35Å; M203-I207 PolarHBondContact O-N 3.42Å; M203-N240 HydrophobicContact CG-CB 4.09Å; M203-N240 HydrophobicContact SD-CB 3.95Å; M203-I482 HydrophobicContact CE-CB 4.39Å; M203-I482 HydrophobicContact CE-CD1 3.4Å; M203-I482 VanDerWaalsContact CE-CD1 3.4Å; M203-I482 HydrophobicContact CE-CG1 3.61Å; M203-I482 HydrophobicContact CE-CG2 3.83Å
204	S	97.1	Very high	93.7	Very high	1 Å²	1	14 Å²	14	1%	0.007	9%	0.085	C	C	.	.	H	α-helix	trans	-53.5	-44.6	173	-68.3	0	0	0	0	111.7	D201 I207 A208 I482 C483 A484	D201-S204 VanDerWaalsContact CG-N 3.34Å; D201-S204 VanDerWaalsContact OD2-CB 3.28Å; D201-S204 WeakPolarHBondContact OD2-CB 3.29Å; D201-S204 PolarHBondContact OD2-N 3.26Å; D201-S204 PolarHBondContact OD2-OG 3.38Å; S204-I207 PolarHBondContact O-N 3Å; S204-A208 WeakPolarHBondContact O-CB 3.44Å; S204-A208 PolarHBondContact O-N 3.14Å; S204-I482 WeakPolarHBondContact OG-CG2 3.35Å; S204-C483 PolarHBondContact OG-N 3.36Å; S204-C483 VanDerWaalsContact OG-N 3.11Å; S204-A484 PolarHBondContact OG-N 2.8Å
205	T	97.5	Very high	93.3	Very high	3 Å²	3	17.2 Å²	17.2	2%	0.018	10%	0.103	C	C	.	.	H	α-helix	trans	-63.4	-43.9	178.7	-55.5	0	0	0	0	111.4	W200 D201 M203 A208 V209 L298 F302	W200-T205 HydrophobicContact CZ2-CG2 4.02Å; W200-T205 PolarHBondContact NE1-OG1 3.41Å; D201-T205 WeakPolarHBondContact O-CB 3.27Å; D201-T205 PolarHBondContact O-N 2.77Å; D201-T205 PolarHBondContact O-OG1 3.06Å; M203-T205 VanDerWaalsContact C-N 3.26Å; M203-T205 PolarHBondContact O-N 3.15Å; T205-A208 PolarHBondContact O-N 3.27Å; T205-V209 HydrophobicContact CG2-CG2 4.44Å; T205-V209 WeakPolarHBondContact O-CB 3.47Å; T205-V209 VanDerWaalsContact O-CG2 3.29Å; T205-V209 WeakPolarHBondContact O-CG2 3.47Å; T205-V209 PolarHBondContact O-N 3.42Å; T205-L298 HydrophobicContact CG2-CB 3.88Å; T205-L298 HydrophobicContact CG2-CD1 4.19Å; T205-L298 HydrophobicContact CG2-CD2 4.39Å; T205-L298 HydrophobicContact CG2-CG 4.41Å; T205-F302 HydrophobicContact CG2-CB 4.04Å; T205-F302 HydrophobicContact CG2-CD2 3.96Å; T205-F302 HydrophobicContact CG2-CG 4.39Å
206	H	97.5	Very high	93	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60.4	-46.3	175.8	169.9	57.4	0	0	0	111.9	T202 M203 A208 V209 C210 G211 A238 V245 H249 L298	T202-H206 WeakPolarHBondContact O-CB 3.17Å; T202-H206 PolarHBondContact O-N 3.29Å; M203-H206 WeakPolarHBondContact O-CB 3.12Å; M203-H206 PolarHBondContact O-N 3.16Å; M203-H206 VanDerWaalsContact O-N 3.15Å; H206-A208 VanDerWaalsContact C-N 3.33Å; H206-A208 PolarHBondContact O-N 3.26Å; H206-V209 PolarHBondContact O-N 2.95Å; H206-C210 CarbonylContact O-C 3.51Å; H206-C210 WeakPolarHBondContact O-CA 3.48Å; H206-C210 PolarHBondContact O-N 3.5Å; H206-G211 PolarHBondContact O-N 3.23Å; H206-A238 PolarHBondContact NE2-O 2.81Å; H206-V245 HydrophobicContact CB-CG1 4.08Å; H206-V245 HydrophobicContact CB-CG2 4.42Å; H206-V245 VanDerWaalsContact CD2-CG2 3.43Å; H206-V245 WeakPolarHBondContact CD2-CG2 3.14Å; H206-H249 AromaticContact CE1-NE2 3.98Å; H206-H249 AromaticContact ND1-NE2 3.21Å; H206-H249 PolarHBondContact ND1-NE2 3.03Å; H206-L298 HydrophobicContact CB-CD1 4.02Å
207	I	96.5	Very high	92.5	Very high	5 Å²	5	18.3 Å²	18.3	3%	0.026	11%	0.105	C	C	.	.	H	α-helix	trans	-62.8	-41.5	179.3	-65.5	164.1	0	0	0	110.7	M203 S204 V209 G211 N240 I482 A484	M203-I207 HydrophobicContact CG-CD1 3.98Å; M203-I207 WeakPolarHBondContact O-CG1 3.35Å; M203-I207 PolarHBondContact O-N 3.42Å; S204-I207 PolarHBondContact O-N 3Å; I207-V209 PolarHBondContact O-N 3.45Å; I207-G211 WeakPolarHBondContact O-CA 3.35Å; I207-G211 PolarHBondContact O-N 3.48Å; I207-N240 WeakPolarHBondContact CD1-ND2 3.48Å; I207-I482 HydrophobicContact CD1-CG2 4.34Å; I207-A484 VanDerWaalsContact CB-O 3.29Å; I207-A484 WeakPolarHBondContact CB-O 3.08Å; I207-A484 VanDerWaalsContact CG2-O 3.26Å; I207-A484 WeakPolarHBondContact CG2-O 3.42Å
208	A	95.9	Very high	91.8	Very high	2 Å²	2	22.9 Å²	22.9	2%	0.017	13%	0.133	C	C	.	.	H	α-helix	trans	-64.6	-38.4	177.9	0	0	0	0	0	112.8	S204 T205 H206 F306 A484 R489	S204-A208 WeakPolarHBondContact O-CB 3.44Å; S204-A208 PolarHBondContact O-N 3.14Å; T205-A208 PolarHBondContact O-N 3.27Å; H206-A208 VanDerWaalsContact C-N 3.33Å; H206-A208 PolarHBondContact O-N 3.26Å; A208-F306 HydrophobicContact CB-CE2 3.97Å; A208-F306 HydrophobicContact CB-CZ 3.73Å; A208-A484 HydrophobicContact CB-CB 3.96Å; A208-R489 HydrophobicContact CB-CG 4.28Å
209	V	95.7	Very high	90.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-87.7	-41.8	-175.3	176.6	0	0	0	0	112.7	T205 H206 I207 Q301 F306 S712 R713	T205-V209 HydrophobicContact CG2-CG2 4.44Å; T205-V209 WeakPolarHBondContact O-CB 3.47Å; T205-V209 VanDerWaalsContact O-CG2 3.29Å; T205-V209 WeakPolarHBondContact O-CG2 3.47Å; T205-V209 PolarHBondContact O-N 3.42Å; H206-V209 PolarHBondContact O-N 2.95Å; I207-V209 PolarHBondContact O-N 3.45Å; V209-Q301 HydrophobicContact CG1-CB 4.05Å; V209-F306 HydrophobicContact CG2-CE2 3.97Å; V209-S712 WeakPolarHBondContact O-CA 3.45Å; V209-R713 PolarHBondContact O-N 3.34Å
210	C	93.5	Very high	90	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-137.1	15.9	-168.2	-68.7	0	0	0	0	113	H206 T237 F248 S712	H206-C210 CarbonylContact O-C 3.51Å; H206-C210 WeakPolarHBondContact O-CA 3.48Å; H206-C210 PolarHBondContact O-N 3.5Å; C210-T237 PolarHBondContact O-OG1 3.49Å; C210-F248 HydrophobicContact CB-CE1 4.32Å; C210-S712 VanDerWaalsContact C-OG 3.27Å; C210-S712 WeakPolarHBondContact CA-OG 3.38Å
211	G	91.3	Very high	89	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-69.1	156.8	-178.3	0	0	0	0	0	113.6	H206 I207 V487 S712	H206-G211 PolarHBondContact O-N 3.23Å; I207-G211 WeakPolarHBondContact O-CA 3.35Å; I207-G211 PolarHBondContact O-N 3.48Å; G211-V487 VanDerWaalsContact C-CG1 3.44Å; G211-V487 VanDerWaalsContact O-CG1 3.32Å; G211-V487 WeakPolarHBondContact O-CG1 3.21Å; G211-S712 PolarHBondContact N-OG 2.92Å; G211-S712 VanDerWaalsContact N-OG 3.1Å; G211-S712 PolarHBondContact O-OG 2.85Å
212	L	87.1	Confident	87.8	Confident	22 Å²	22	33.6 Å²	33.6	12%	0.115	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-94.2	141.8	176.9	-67.9	170.7	0	0	0	111.7	Q216 R217 Y220 F233 T237 V487 A714	L212-Q216 HydrophobicContact CB-CB 4.37Å; L212-Q216 HydrophobicContact CD2-CB 3.96Å; L212-R217 HydrophobicContact CB-CB 4.14Å; L212-R217 HydrophobicContact CD1-CB 4.37Å; L212-R217 HydrophobicContact CD1-CG 4.47Å; L212-Y220 HydrophobicContact CD1-CD1 4.31Å; L212-Y220 HydrophobicContact CD1-CD2 4.07Å; L212-Y220 HydrophobicContact CD1-CG 3.82Å; L212-F233 HydrophobicContact CD2-CD2 3.94Å; L212-F233 HydrophobicContact CD2-CE2 3.75Å; L212-T237 HydrophobicContact CD2-CG2 3.51Å; L212-T237 WeakPolarHBondContact CD2-OG1 3.26Å; L212-T237 HydrophobicContact CG-CG2 4.23Å; L212-T237 WeakPolarHBondContact CG-OG1 3.48Å; L212-V487 VanDerWaalsContact C-CG1 3.44Å; L212-V487 WeakPolarHBondContact O-CG1 3.07Å; L212-A714 HydrophobicContact CD2-CB 4.35Å
213	A	85.6	Confident	86.5	Confident	22 Å²	22	34.1 Å²	34.1	18%	0.182	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-68	165.2	162.7	0	0	0	0	0	111.4	D215 Q216 R217 L715	A213-D215 PolarHBondContact O-N 3.14Å; A213-Q216 HydrophobicContact CB-CB 4.47Å; A213-Q216 HydrophobicContact CB-CG 4.18Å; A213-Q216 PolarHBondContact O-N 3.05Å; A213-R217 WeakPolarHBondContact O-CB 3.47Å; A213-R217 PolarHBondContact O-N 2.8Å; A213-L715 HydrophobicContact CB-CD1 4.36Å; A213-L715 HydrophobicContact CB-CD2 4.02Å
214	G	81.2	Confident	84.9	Confident	55 Å²	55	39.3 Å²	39.3	57%	0.567	22%	0.219	S	C	*	.	H	α-helix	trans	-54.6	-52.5	-177.1	0	0	0	0	0	113	R217 V218	G214-R217 WeakPolarHBondContact O-CB 3.5Å; G214-R217 PolarHBondContact O-N 3.33Å; G214-V218 PolarHBondContact O-N 3.46Å
215	D	79.2	Confident	82.9	Confident	114 Å²	114	48.2 Å²	48.2	61%	0.61	26%	0.257	S	S	*	.	H	α-helix	trans	-67.4	-41.8	-178.5	-58.7	-32.9	0	0	0	111.6	A213 R217 V218 L219	A213-D215 PolarHBondContact O-N 3.14Å; D215-R217 PolarHBondContact O-N 3.06Å; D215-V218 PolarHBondContact O-N 2.65Å; D215-V218 VanDerWaalsContact O-N 3.16Å; D215-L219 WeakPolarHBondContact O-CG 3.4Å; D215-L219 PolarHBondContact O-N 3.32Å
216	Q	81.5	Confident	80.8	Confident	7 Å²	7	53.7 Å²	53.7	3%	0.033	29%	0.291	C	S	.	.	H	α-helix	trans	-59.5	-35.9	173.9	-63.8	-177.5	-46.9	0	0	112.1	L212 A213 L219 Y220 F233 A714	L212-Q216 HydrophobicContact CB-CB 4.37Å; L212-Q216 HydrophobicContact CD2-CB 3.96Å; A213-Q216 HydrophobicContact CB-CB 4.47Å; A213-Q216 HydrophobicContact CB-CG 4.18Å; A213-Q216 PolarHBondContact O-N 3.05Å; Q216-L219 PolarHBondContact O-N 2.89Å; Q216-Y220 WeakPolarHBondContact O-CB 3.29Å; Q216-Y220 PolarHBondContact O-N 3.09Å; Q216-F233 HydrophobicContact CB-CE2 4.01Å; Q216-F233 HydrophobicContact CB-CZ 4.06Å; Q216-F233 HydrophobicContact CG-CE2 4.39Å; Q216-F233 HydrophobicContact CG-CZ 4.27Å; Q216-A714 PolarHBondContact NE2-O 3.23Å
217	R	82.4	Confident	78.8	Confident	102 Å²	102	57.9 Å²	57.9	39%	0.385	31%	0.313	S	S	.	.	H	α-helix	trans	-67.4	-39	178.1	-170.4	174.1	-179	170.3	0.4	111.6	L212 A213 G214 D215 Y220 M221	L212-R217 HydrophobicContact CB-CB 4.14Å; L212-R217 HydrophobicContact CD1-CB 4.37Å; L212-R217 HydrophobicContact CD1-CG 4.47Å; A213-R217 WeakPolarHBondContact O-CB 3.47Å; A213-R217 PolarHBondContact O-N 2.8Å; G214-R217 WeakPolarHBondContact O-CB 3.5Å; G214-R217 PolarHBondContact O-N 3.33Å; D215-R217 PolarHBondContact O-N 3.06Å; R217-Y220 PolarHBondContact O-N 3.03Å; R217-M221 HydrophobicContact CG-CE 4.37Å; R217-M221 WeakPolarHBondContact O-CG 3.27Å; R217-M221 PolarHBondContact O-N 3.27Å
218	V	80.1	Confident	76.8	Confident	99 Å²	99	64.3 Å²	64.3	60%	0.6	34%	0.341	S	S	*	.	H	α-helix	trans	-62.7	-48.7	173.5	177	0	0	0	0	110.1	G214 D215 Y220 M221 A222	G214-V218 PolarHBondContact O-N 3.46Å; D215-V218 PolarHBondContact O-N 2.65Å; D215-V218 VanDerWaalsContact O-N 3.16Å; V218-Y220 VanDerWaalsContact C-N 3.34Å; V218-Y220 PolarHBondContact O-N 3.46Å; V218-M221 PolarHBondContact O-N 2.92Å; V218-A222 PolarHBondContact O-N 3.26Å
219	L	78.3	Confident	75	Confident	73 Å²	73	70.1 Å²	70.1	38%	0.382	37%	0.372	S	S	.	.	H	α-helix	trans	-60.6	-41.9	176.6	-68.4	172.6	0	0	0	112.2	D215 Q216 M221 A222 A223	D215-L219 WeakPolarHBondContact O-CG 3.4Å; D215-L219 PolarHBondContact O-N 3.32Å; Q216-L219 PolarHBondContact O-N 2.89Å; L219-M221 VanDerWaalsContact C-N 3.34Å; L219-M221 PolarHBondContact O-N 3.25Å; L219-A222 PolarHBondContact O-N 3.27Å; L219-A223 WeakPolarHBondContact O-CB 3.04Å; L219-A223 PolarHBondContact O-N 2.81Å
220	Y	77.7	Confident	73.4	Confident	20 Å²	20	75.4 Å²	75.4	8%	0.078	40%	0.399	C	S	.	.	H	α-helix	trans	-62.9	-40.2	177.4	-170	-82.4	0	0	0	111.6	L212 Q216 R217 V218 R224 W234 T237 T239	L212-Y220 HydrophobicContact CD1-CD1 4.31Å; L212-Y220 HydrophobicContact CD1-CD2 4.07Å; L212-Y220 HydrophobicContact CD1-CG 3.82Å; Q216-Y220 WeakPolarHBondContact O-CB 3.29Å; Q216-Y220 PolarHBondContact O-N 3.09Å; R217-Y220 PolarHBondContact O-N 3.03Å; V218-Y220 VanDerWaalsContact C-N 3.34Å; V218-Y220 PolarHBondContact O-N 3.46Å; Y220-R224 PolarHBondContact O-N 3.15Å; Y220-W234 HydrophobicContact CD1-CH2 4.4Å; Y220-W234 HydrophobicContact CD1-CZ2 4.33Å; Y220-W234 AromaticContact CD2-CD2 3.67Å; Y220-W234 HydrophobicContact CD2-CD2 3.67Å; Y220-W234 AromaticContact CD2-CE2 3.48Å; Y220-W234 VanDerWaalsContact CD2-CE2 3.48Å; Y220-W234 HydrophobicContact CD2-CE3 4.09Å; Y220-W234 HydrophobicContact CD2-CG 4.12Å; Y220-W234 HydrophobicContact CD2-CH2 4.19Å; Y220-W234 AromaticContact CD2-CZ2 3.78Å; Y220-W234 HydrophobicContact CD2-CZ2 3.78Å; Y220-W234 HydrophobicContact CD2-CZ3 4.33Å; Y220-W234 AromaticContact CD2-NE1 3.78Å; Y220-W234 HydrophobicContact CE1-CH2 4.31Å; Y220-W234 HydrophobicContact CE1-CZ3 4.5Å; Y220-W234 AromaticContact CE2-CD2 3.67Å; Y220-W234 HydrophobicContact CE2-CD2 3.67Å; Y220-W234 AromaticContact CE2-CE2 3.91Å; Y220-W234 AromaticContact CE2-CE3 3.63Å; Y220-W234 HydrophobicContact CE2-CE3 3.63Å; Y220-W234 HydrophobicContact CE2-CG 4.26Å; Y220-W234 HydrophobicContact CE2-CH2 4.12Å; Y220-W234 HydrophobicContact CE2-CZ2 4.15Å; Y220-W234 AromaticContact CE2-CZ3 3.86Å; Y220-W234 HydrophobicContact CE2-CZ3 3.86Å; Y220-W234 AromaticContact CG-CE2 4Å; Y220-W234 HydrophobicContact CG-CH2 4.34Å; Y220-W234 AromaticContact CG-CZ2 3.88Å; Y220-W234 HydrophobicContact CG-CZ2 3.88Å; Y220-W234 AromaticContact CZ-CZ3 3.95Å; Y220-W234 WeakPolarHBondContact O-CZ2 3.38Å; Y220-T237 HydrophobicContact CD2-CG2 3.96Å; Y220-T237 HydrophobicContact CE2-CG2 3.76Å; Y220-T239 HydrophobicContact CD1-CG2 3.73Å; Y220-T239 HydrophobicContact CE1-CG2 3.68Å
221	M	77.3	Confident	71.9	Confident	104 Å²	104	80.1 Å²	80.1	51%	0.512	42%	0.417	S	S	.	.	H	α-helix	trans	-69.8	-36	175.8	-72.8	-175.9	171.1	0	0	112.5	R217 V218 L219	R217-M221 HydrophobicContact CG-CE 4.37Å; R217-M221 WeakPolarHBondContact O-CG 3.27Å; R217-M221 PolarHBondContact O-N 3.27Å; V218-M221 PolarHBondContact O-N 2.92Å; L219-M221 VanDerWaalsContact C-N 3.34Å; L219-M221 PolarHBondContact O-N 3.25Å
222	A	73.9	Confident	70.8	Confident	62 Å²	62	86.5 Å²	86.5	51%	0.512	45%	0.452	S	S	.	.	H	α-helix	trans	-69.3	-46.6	176.7	0	0	0	0	0	112	V218 L219 R224 K225	V218-A222 PolarHBondContact O-N 3.26Å; L219-A222 PolarHBondContact O-N 3.27Å; A222-R224 VanDerWaalsContact C-N 3.31Å; A222-R224 PolarHBondContact O-N 3.23Å; A222-K225 PolarHBondContact O-N 3.4Å
223	A	69.4	Low	70.2	Confident	10 Å²	10	85.9 Å²	85.9	8%	0.083	45%	0.448	C	S	.	.	H	α-helix	trans	-72.3	-18.4	-175.5	0	0	0	0	0	114.1	L219 K225 V226 L227 W234	L219-A223 WeakPolarHBondContact O-CB 3.04Å; L219-A223 PolarHBondContact O-N 2.81Å; A223-K225 PolarHBondContact O-N 2.82Å; A223-V226 PolarHBondContact O-N 2.93Å; A223-V226 VanDerWaalsContact O-N 3.08Å; A223-L227 HydrophobicContact CB-CB 4.33Å; A223-L227 PolarHBondContact O-N 3.45Å; A223-L227 VanDerWaalsContact O-N 3.08Å; A223-W234 HydrophobicContact CB-CH2 4.32Å; A223-W234 HydrophobicContact CB-CZ2 3.42Å; A223-W234 VanDerWaalsContact CB-CZ2 3.42Å
224	R	65.1	Low	69.5	Low	124 Å²	124	85.3 Å²	85.3	47%	0.468	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-22.3	168.7	-91	-174.2	85.5	141	5.4	113.4	Y220 A222 W234 E244	Y220-R224 PolarHBondContact O-N 3.15Å; A222-R224 VanDerWaalsContact C-N 3.31Å; A222-R224 PolarHBondContact O-N 3.23Å; R224-W234 HydrophobicContact CB-CH2 4.39Å; R224-W234 HydrophobicContact CG-CH2 3.8Å; R224-E244 IonicContact CZ-OE1 2.61Å; R224-E244 IonicContact NH1-OE1 2.82Å; R224-E244 PolarHBondContact NH1-OE1 3.36Å; R224-E244 IonicContact NH1-OE2 3.74Å; R224-E244 PolarHBondContact NH1-OE2 3.32Å; R224-E244 IonicContact NH2-OE1 2.73Å; R224-E244 PolarHBondContact NH2-OE1 3.03Å
225	K	54.2	Low	69.3	Low	188 Å²	188	92.1 Å²	92.1	82%	0.817	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-25.3	-178.9	-68.2	-174.6	175.6	-175.7	0	114.2	A222 A223	A222-K225 PolarHBondContact O-N 3.4Å; A223-K225 PolarHBondContact O-N 2.82Å
226	V	54.3	Low	69.5	Low	119 Å²	119	89.7 Å²	89.7	72%	0.721	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150.4	-23.9	-165.7	-166.5	0	0	0	0	116.3	A223	A223-V226 PolarHBondContact O-N 2.93Å; A223-V226 VanDerWaalsContact O-N 3.08Å
227	L	54.2	Low	69.9	Low	87 Å²	87	89.4 Å²	89.4	46%	0.455	43%	0.433	S	S	.	.			trans	-140.9	70.6	-160.7	-64.7	168.4	0	0	0	114.6	A223 D229 L230	A223-L227 HydrophobicContact CB-CB 4.33Å; A223-L227 PolarHBondContact O-N 3.45Å; A223-L227 VanDerWaalsContact O-N 3.08Å; L227-D229 PolarHBondContact O-N 2.78Å; L227-L230 HydrophobicContact CB-CD1 3.87Å; L227-L230 HydrophobicContact CD1-CD1 4.12Å; L227-L230 HydrophobicContact CD2-CD1 3.55Å; L227-L230 HydrophobicContact CG-CD1 4.02Å
228	F	54.8	Low	70.3	Confident	141 Å²	141	84.7 Å²	84.7	62%	0.618	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-23	-172.7	-126.8	-89.9	0	0	0	115.4	W234	F228-W234 HydrophobicContact CD1-CE3 4.2Å; F228-W234 HydrophobicContact CD1-CZ3 4.28Å; F228-W234 HydrophobicContact CD2-CZ3 4.07Å; F228-W234 AromaticContact CE1-CE3 3.98Å; F228-W234 HydrophobicContact CE1-CE3 3.98Å; F228-W234 AromaticContact CE1-CZ3 3.91Å; F228-W234 HydrophobicContact CE1-CZ3 3.91Å; F228-W234 HydrophobicContact CE2-CH2 4.36Å; F228-W234 AromaticContact CE2-CZ3 3.69Å; F228-W234 HydrophobicContact CE2-CZ3 3.69Å; F228-W234 HydrophobicContact CG-CZ3 4.36Å; F228-W234 HydrophobicContact CZ-CE3 4.16Å; F228-W234 AromaticContact CZ-CZ3 3.61Å; F228-W234 HydrophobicContact CZ-CZ3 3.61Å
229	D	58.6	Low	70.8	Confident	124 Å²	124	80.6 Å²	80.6	66%	0.663	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	1.7	-171.2	-79.4	-41.3	0	0	0	115.5	L227 Y231 R235	L227-D229 PolarHBondContact O-N 2.78Å; D229-Y231 PolarHBondContact O-N 2.9Å; D229-R235 IonicContact OD1-CZ 3.51Å; D229-R235 IonicContact OD1-NH2 2.9Å; D229-R235 PolarHBondContact OD1-NH2 2.92Å
230	L	61.1	Low	71.5	Confident	110 Å²	110	78.5 Å²	78.5	58%	0.576	38%	0.38	S	S	*	.	S	Bend	trans	-75.4	-21.2	-173.7	-104.8	111.3	0	0	0	115.4	L227	L227-L230 HydrophobicContact CB-CD1 3.87Å; L227-L230 HydrophobicContact CD1-CD1 4.12Å; L227-L230 HydrophobicContact CD2-CD1 3.55Å; L227-L230 HydrophobicContact CG-CD1 4.02Å
231	Y	62.2	Low	72.2	Confident	99 Å²	99	79.8 Å²	79.8	39%	0.388	39%	0.392	S	S	.	.			trans	-129.6	122.8	-170.9	-65.1	-80.7	0	0	0	112.8	D229 F233 W234	D229-Y231 PolarHBondContact O-N 2.9Å; Y231-F233 HydrophobicContact CD1-CE1 4.02Å; Y231-F233 HydrophobicContact CG-CD1 4.45Å; Y231-F233 AromaticContact CG-CE1 3.85Å; Y231-F233 HydrophobicContact CG-CE1 3.85Å; Y231-F233 PolarHBondContact O-N 3.43Å; Y231-F233 VanDerWaalsContact O-N 3.09Å; Y231-W234 WeakPolarHBondContact O-CB 3.44Å; Y231-W234 PolarHBondContact O-N 3.02Å; Y231-W234 VanDerWaalsContact O-N 3.14Å
232	N	68.5	Low	73	Confident	134 Å²	134	75.8 Å²	75.8	72%	0.717	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-26.6	-177.6	-73.7	-31.2	0	0	0	114.6	W234	N232-W234 VanDerWaalsContact C-N 3.35Å
233	F	74.4	Confident	73.8	Confident	9 Å²	9	73.6 Å²	73.6	4%	0.039	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-20.3	-178.3	75.5	-95.6	0	0	0	113.7	L212 Q216 Y231 R235 K236 T237 A714	L212-F233 HydrophobicContact CD2-CD2 3.94Å; L212-F233 HydrophobicContact CD2-CE2 3.75Å; Q216-F233 HydrophobicContact CB-CE2 4.01Å; Q216-F233 HydrophobicContact CB-CZ 4.06Å; Q216-F233 HydrophobicContact CG-CE2 4.39Å; Q216-F233 HydrophobicContact CG-CZ 4.27Å; Y231-F233 HydrophobicContact CD1-CE1 4.02Å; Y231-F233 HydrophobicContact CG-CD1 4.45Å; Y231-F233 AromaticContact CG-CE1 3.85Å; Y231-F233 HydrophobicContact CG-CE1 3.85Å; Y231-F233 PolarHBondContact O-N 3.43Å; Y231-F233 VanDerWaalsContact O-N 3.09Å; F233-R235 VanDerWaalsContact C-N 3.29Å; F233-R235 PolarHBondContact O-N 2.83Å; F233-K236 PolarHBondContact O-N 3.06Å; F233-T237 HydrophobicContact CD2-CG2 4.06Å; F233-T237 HydrophobicContact CE2-CG2 4.47Å; F233-T237 WeakPolarHBondContact O-CG2 3.42Å; F233-A714 HydrophobicContact CB-CB 4.43Å
234	W	71.6	Confident	74.9	Confident	11 Å²	11	74 Å²	74	4%	0.042	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-58.7	-38	-173.2	-107	72.9	0	0	0	113.4	Y220 A223 R224 F228 Y231 N232 K236	Y220-W234 HydrophobicContact CD1-CH2 4.4Å; Y220-W234 HydrophobicContact CD1-CZ2 4.33Å; Y220-W234 AromaticContact CD2-CD2 3.67Å; Y220-W234 HydrophobicContact CD2-CD2 3.67Å; Y220-W234 AromaticContact CD2-CE2 3.48Å; Y220-W234 VanDerWaalsContact CD2-CE2 3.48Å; Y220-W234 HydrophobicContact CD2-CE3 4.09Å; Y220-W234 HydrophobicContact CD2-CG 4.12Å; Y220-W234 HydrophobicContact CD2-CH2 4.19Å; Y220-W234 AromaticContact CD2-CZ2 3.78Å; Y220-W234 HydrophobicContact CD2-CZ2 3.78Å; Y220-W234 HydrophobicContact CD2-CZ3 4.33Å; Y220-W234 AromaticContact CD2-NE1 3.78Å; Y220-W234 HydrophobicContact CE1-CH2 4.31Å; Y220-W234 HydrophobicContact CE1-CZ3 4.5Å; Y220-W234 AromaticContact CE2-CD2 3.67Å; Y220-W234 HydrophobicContact CE2-CD2 3.67Å; Y220-W234 AromaticContact CE2-CE2 3.91Å; Y220-W234 AromaticContact CE2-CE3 3.63Å; Y220-W234 HydrophobicContact CE2-CE3 3.63Å; Y220-W234 HydrophobicContact CE2-CG 4.26Å; Y220-W234 HydrophobicContact CE2-CH2 4.12Å; Y220-W234 HydrophobicContact CE2-CZ2 4.15Å; Y220-W234 AromaticContact CE2-CZ3 3.86Å; Y220-W234 HydrophobicContact CE2-CZ3 3.86Å; Y220-W234 AromaticContact CG-CE2 4Å; Y220-W234 HydrophobicContact CG-CH2 4.34Å; Y220-W234 AromaticContact CG-CZ2 3.88Å; Y220-W234 HydrophobicContact CG-CZ2 3.88Å; Y220-W234 AromaticContact CZ-CZ3 3.95Å; Y220-W234 WeakPolarHBondContact O-CZ2 3.38Å; A223-W234 HydrophobicContact CB-CH2 4.32Å; A223-W234 HydrophobicContact CB-CZ2 3.42Å; A223-W234 VanDerWaalsContact CB-CZ2 3.42Å; R224-W234 HydrophobicContact CB-CH2 4.39Å; R224-W234 HydrophobicContact CG-CH2 3.8Å; F228-W234 HydrophobicContact CD1-CE3 4.2Å; F228-W234 HydrophobicContact CD1-CZ3 4.28Å; F228-W234 HydrophobicContact CD2-CZ3 4.07Å; F228-W234 AromaticContact CE1-CE3 3.98Å; F228-W234 HydrophobicContact CE1-CE3 3.98Å; F228-W234 AromaticContact CE1-CZ3 3.91Å; F228-W234 HydrophobicContact CE1-CZ3 3.91Å; F228-W234 HydrophobicContact CE2-CH2 4.36Å; F228-W234 AromaticContact CE2-CZ3 3.69Å; F228-W234 HydrophobicContact CE2-CZ3 3.69Å; F228-W234 HydrophobicContact CG-CZ3 4.36Å; F228-W234 HydrophobicContact CZ-CE3 4.16Å; F228-W234 AromaticContact CZ-CZ3 3.61Å; F228-W234 HydrophobicContact CZ-CZ3 3.61Å; Y231-W234 WeakPolarHBondContact O-CB 3.44Å; Y231-W234 PolarHBondContact O-N 3.02Å; Y231-W234 VanDerWaalsContact O-N 3.14Å; N232-W234 VanDerWaalsContact C-N 3.35Å; W234-K236 PolarHBondContact O-N 3.07Å
235	R	77.5	Confident	76.3	Confident	197 Å²	197	68.1 Å²	68.1	74%	0.743	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-74.9	-4.9	179.6	-60.9	-176	-176.9	-167.6	1.2	113.7	D229 F233	D229-R235 IonicContact OD1-CZ 3.51Å; D229-R235 IonicContact OD1-NH2 2.9Å; D229-R235 PolarHBondContact OD1-NH2 2.92Å; F233-R235 VanDerWaalsContact C-N 3.29Å; F233-R235 PolarHBondContact O-N 2.83Å
236	K	83.5	Confident	78.3	Confident	64 Å²	64	59.5 Å²	59.5	28%	0.278	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-110.4	6	-175.2	-60.8	-170.5	-173.3	173.6	0	113.7	F233 W234 R713 S718 S719	F233-K236 PolarHBondContact O-N 3.06Å; W234-K236 PolarHBondContact O-N 3.07Å; K236-R713 HydrophobicContact CB-CB 4.19Å; K236-R713 HydrophobicContact CD-CB 4.5Å; K236-S718 PolarHBondContact NZ-OG 3.44Å; K236-S719 WeakPolarHBondContact CD-OG 3.38Å; K236-S719 VanDerWaalsContact CE-OG 3.3Å; K236-S719 WeakPolarHBondContact CE-OG 3.49Å; K236-S719 PolarHBondContact NZ-OG 3.31Å
237	T	89.7	Confident	80.1	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.006	28%	0.282	C	S	.	.			trans	-147.6	164.3	-165.4	-165.4	0	0	0	0	112.7	C210 L212 Y220 F233 F248	C210-T237 PolarHBondContact O-OG1 3.49Å; L212-T237 HydrophobicContact CD2-CG2 3.51Å; L212-T237 WeakPolarHBondContact CD2-OG1 3.26Å; L212-T237 HydrophobicContact CG-CG2 4.23Å; L212-T237 WeakPolarHBondContact CG-OG1 3.48Å; Y220-T237 HydrophobicContact CD2-CG2 3.96Å; Y220-T237 HydrophobicContact CE2-CG2 3.76Å; F233-T237 HydrophobicContact CD2-CG2 4.06Å; F233-T237 HydrophobicContact CE2-CG2 4.47Å; F233-T237 WeakPolarHBondContact O-CG2 3.42Å; T237-F248 WeakPolarHBondContact O-CD2 3.29Å; T237-F248 WeakPolarHBondContact O-CE2 3.49Å
238	A	90	Very high	81.9	Confident	2 Å²	2	58.8 Å²	58.8	2%	0.017	27%	0.272	C	S	.	.			trans	-146.9	174.1	169.7	0	0	0	0	0	110.7	H206 F248	H206-A238 PolarHBondContact NE2-O 2.81Å; A238-F248 HydrophobicContact CB-CB 3.65Å; A238-F248 HydrophobicContact CB-CD1 4.22Å; A238-F248 HydrophobicContact CB-CD2 4.32Å; A238-F248 HydrophobicContact CB-CG 3.8Å
239	T	90.2	Very high	83.8	Confident	13 Å²	13	53.1 Å²	53.1	8%	0.08	25%	0.248	C	C	.	.			trans	-85.3	162.3	168.1	62.9	0	0	0	0	111.3	Y220 S241 E244 V245	Y220-T239 HydrophobicContact CD1-CG2 3.73Å; Y220-T239 HydrophobicContact CE1-CG2 3.68Å; T239-S241 VanDerWaalsContact C-N 3.3Å; T239-S241 PolarHBondContact O-N 2.88Å; T239-S241 VanDerWaalsContact O-N 3.16Å; T239-E244 WeakPolarHBondContact OG1-CB 3.43Å; T239-E244 WeakPolarHBondContact OG1-CG 3.37Å; T239-V245 VanDerWaalsContact O-CG2 3.31Å; T239-V245 WeakPolarHBondContact O-CG2 3.38Å
240	N	92.8	Very high	85.5	Confident	30 Å²	30	47.7 Å²	47.7	16%	0.16	22%	0.22	C	C	.	.	S	Bend	trans	-70.9	-12.3	-165.9	-55.8	4.9	0	0	0	116.1	H177 M203 I207	H177-N240 PolarHBondContact CE1-O 3Å; H177-N240 PolarHBondContact NE2-O 3.34Å; M203-N240 HydrophobicContact CG-CB 4.09Å; M203-N240 HydrophobicContact SD-CB 3.95Å; I207-N240 WeakPolarHBondContact CD1-ND2 3.48Å
241	S	92.1	Very high	87	Confident	47 Å²	47	47 Å²	47	33%	0.329	22%	0.221	S	C	.	.	S	Bend	trans	-71.5	142.6	-176.4	63.8	0	0	0	0	112.1	T239 L243 E244 V245	T239-S241 VanDerWaalsContact C-N 3.3Å; T239-S241 PolarHBondContact O-N 2.88Å; T239-S241 VanDerWaalsContact O-N 3.16Å; S241-L243 VanDerWaalsContact C-N 3.27Å; S241-L243 PolarHBondContact O-N 2.89Å; S241-L243 VanDerWaalsContact O-N 3.13Å; S241-E244 PolarHBondContact O-N 3.39Å; S241-E244 WeakPolarHBondContact OG-CG 3.44Å; S241-V245 WeakPolarHBondContact O-CG2 3.42Å; S241-V245 PolarHBondContact O-N 2.77Å
242	L	94.6	Very high	88.4	Confident	20 Å²	20	49.9 Å²	49.9	11%	0.105	24%	0.244	C	C	.	.	H	α-helix	trans	-46.4	-48.4	-179.6	-179.1	58.3	0	0	0	112.9	H177 E244 V245 H246 L257 D287 V294	H177-L242 HydrophobicContact CB-CD1 4.09Å; H177-L242 WeakPolarHBondContact NE2-CA 3.37Å; H177-L242 PolarHBondContact NE2-N 3.02Å; L242-E244 VanDerWaalsContact C-N 3.3Å; L242-E244 PolarHBondContact O-N 3.37Å; L242-V245 PolarHBondContact O-N 3.12Å; L242-H246 WeakPolarHBondContact O-CB 3.47Å; L242-H246 PolarHBondContact O-N 3.15Å; L242-L257 HydrophobicContact CG-CD1 4.27Å; L242-D287 HydrophobicContact CD2-CB 3.97Å; L242-V294 HydrophobicContact CD1-CG2 4.47Å
243	L	92.1	Very high	89.5	Confident	15 Å²	15	45 Å²	45	8%	0.079	22%	0.22	C	C	.	.	H	α-helix	trans	-51.6	-47.7	177.3	178.6	69.1	0	0	0	113.2	S241 R247 L257 K259	S241-L243 VanDerWaalsContact C-N 3.27Å; S241-L243 PolarHBondContact O-N 2.89Å; S241-L243 VanDerWaalsContact O-N 3.13Å; L243-R247 WeakPolarHBondContact O-CB 3.38Å; L243-R247 VanDerWaalsContact O-CG 3.22Å; L243-R247 WeakPolarHBondContact O-CG 3.43Å; L243-R247 PolarHBondContact O-N 3.34Å; L243-L257 HydrophobicContact CD1-CB 3.55Å; L243-L257 HydrophobicContact CD1-CD1 4.21Å; L243-L257 HydrophobicContact CD1-CG 4.46Å; L243-K259 HydrophobicContact CD2-CD 3.71Å; L243-K259 HydrophobicContact CD2-CG 4.11Å
244	E	91	Very high	90.2	Very high	20 Å²	20	51.8 Å²	51.8	9%	0.093	25%	0.251	C	S	.	.	H	α-helix	trans	-77.6	-36.8	-174.2	-62.6	-76.5	167.1	0	0	110.5	R224 T239 S241 L242 F248	R224-E244 IonicContact CZ-OE1 2.61Å; R224-E244 IonicContact NH1-OE1 2.82Å; R224-E244 PolarHBondContact NH1-OE1 3.36Å; R224-E244 IonicContact NH1-OE2 3.74Å; R224-E244 PolarHBondContact NH1-OE2 3.32Å; R224-E244 IonicContact NH2-OE1 2.73Å; R224-E244 PolarHBondContact NH2-OE1 3.03Å; T239-E244 WeakPolarHBondContact OG1-CB 3.43Å; T239-E244 WeakPolarHBondContact OG1-CG 3.37Å; S241-E244 PolarHBondContact O-N 3.39Å; S241-E244 WeakPolarHBondContact OG-CG 3.44Å; L242-E244 VanDerWaalsContact C-N 3.3Å; L242-E244 PolarHBondContact O-N 3.37Å; E244-F248 VanDerWaalsContact O-CB 3.24Å; E244-F248 WeakPolarHBondContact O-CB 3.45Å; E244-F248 PolarHBondContact O-N 3.45Å
245	V	94.9	Very high	91	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-65	-43.8	173.7	178.3	0	0	0	0	110.9	H206 T239 S241 L242 F248 H249 V294	H206-V245 HydrophobicContact CB-CG1 4.08Å; H206-V245 HydrophobicContact CB-CG2 4.42Å; H206-V245 VanDerWaalsContact CD2-CG2 3.43Å; H206-V245 WeakPolarHBondContact CD2-CG2 3.14Å; T239-V245 VanDerWaalsContact O-CG2 3.31Å; T239-V245 WeakPolarHBondContact O-CG2 3.38Å; S241-V245 WeakPolarHBondContact O-CG2 3.42Å; S241-V245 PolarHBondContact O-N 2.77Å; L242-V245 PolarHBondContact O-N 3.12Å; V245-F248 PolarHBondContact O-N 3.16Å; V245-H249 PolarHBondContact O-CD2 3.36Å; V245-H249 PolarHBondContact O-N 2.99Å; V245-V294 HydrophobicContact CG1-CG1 3.63Å; V245-V294 HydrophobicContact CG1-CG2 4.19Å
246	H	95.4	Very high	91.2	Very high	6 Å²	6	48.1 Å²	48.1	3%	0.028	25%	0.251	C	S	.	.	H	α-helix	trans	-64.5	-49.6	177	177.1	-96.7	0	0	0	111.6	L242 F248 H249 C250 S253 L257 A290 E293 V294	L242-H246 WeakPolarHBondContact O-CB 3.47Å; L242-H246 PolarHBondContact O-N 3.15Å; H246-F248 PolarHBondContact O-N 2.95Å; H246-H249 PolarHBondContact O-N 3.14Å; H246-C250 CarbonylContact O-C 3.38Å; H246-C250 VanDerWaalsContact O-CA 3.32Å; H246-C250 WeakPolarHBondContact O-CA 3.4Å; H246-C250 VanDerWaalsContact O-CB 3.3Å; H246-C250 WeakPolarHBondContact O-CB 3.33Å; H246-C250 PolarHBondContact O-N 2.73Å; H246-S253 VanDerWaalsContact CE1-CB 3.49Å; H246-S253 WeakPolarHBondContact CE1-CB 3.3Å; H246-S253 PolarHBondContact NE2-OG 3.21Å; H246-L257 HydrophobicContact CB-CD1 4.1Å; H246-A290 HydrophobicContact CB-CB 4.46Å; H246-E293 IonicContact CD2-OE2 3.9Å; H246-E293 IonicContact CE1-OE2 3.5Å; H246-E293 IonicContact NE2-OE2 3.31Å; H246-E293 PolarHBondContact NE2-OE2 2.98Å; H246-V294 HydrophobicContact CB-CG2 3.83Å
247	R	92.3	Very high	91.2	Very high	135 Å²	135	45.8 Å²	45.8	51%	0.509	24%	0.242	S	C	.	.	H	α-helix	trans	-55.5	-38	174.2	-77.1	173.8	-179.8	176.5	-1	112.6	L243 P251	L243-R247 WeakPolarHBondContact O-CB 3.38Å; L243-R247 VanDerWaalsContact O-CG 3.22Å; L243-R247 WeakPolarHBondContact O-CG 3.43Å; L243-R247 PolarHBondContact O-N 3.34Å; R247-P251 WeakPolarHBondContact O-CA 3.37Å
248	F	93.1	Very high	90.7	Very high	57 Å²	57	49.5 Å²	49.5	25%	0.25	26%	0.262	C	S	.	.	H	α-helix	trans	-74.4	-48	-178.9	176.1	-102.4	0	0	0	113.4	C210 T237 A238 E244 V245 H246	C210-F248 HydrophobicContact CB-CE1 4.32Å; T237-F248 WeakPolarHBondContact O-CD2 3.29Å; T237-F248 WeakPolarHBondContact O-CE2 3.49Å; A238-F248 HydrophobicContact CB-CB 3.65Å; A238-F248 HydrophobicContact CB-CD1 4.22Å; A238-F248 HydrophobicContact CB-CD2 4.32Å; A238-F248 HydrophobicContact CB-CG 3.8Å; E244-F248 VanDerWaalsContact O-CB 3.24Å; E244-F248 WeakPolarHBondContact O-CB 3.45Å; E244-F248 PolarHBondContact O-N 3.45Å; V245-F248 PolarHBondContact O-N 3.16Å; H246-F248 PolarHBondContact O-N 2.95Å
249	H	94.8	Very high	90.1	Very high	21 Å²	21	54.4 Å²	54.4	10%	0.097	28%	0.283	C	S	.	.	H	α-helix	trans	-84.9	-23.8	-177.2	-68.5	-73.9	0	0	0	113.6	H206 V245 H246 K297 L298	H206-H249 AromaticContact CE1-NE2 3.98Å; H206-H249 AromaticContact ND1-NE2 3.21Å; H206-H249 PolarHBondContact ND1-NE2 3.03Å; V245-H249 PolarHBondContact O-CD2 3.36Å; V245-H249 PolarHBondContact O-N 2.99Å; H246-H249 PolarHBondContact O-N 3.14Å; H249-K297 HydrophobicContact CB-CB 4.09Å; H249-L298 WeakPolarHBondContact CE1-CD2 3.25Å; H249-L298 WeakPolarHBondContact NE2-CD2 3.48Å
250	C	94.7	Very high	89.7	Confident	11 Å²	11	59.2 Å²	59.2	7%	0.074	31%	0.308	C	S	.	.			trans	-127.5	54.3	-174.7	-56	0	0	0	0	112.1	H246 N252 S253	H246-C250 CarbonylContact O-C 3.38Å; H246-C250 VanDerWaalsContact O-CA 3.32Å; H246-C250 WeakPolarHBondContact O-CA 3.4Å; H246-C250 VanDerWaalsContact O-CB 3.3Å; H246-C250 WeakPolarHBondContact O-CB 3.33Å; H246-C250 PolarHBondContact O-N 2.73Å; C250-N252 PolarHBondContact O-N 3.39Å; C250-N252 VanDerWaalsContact O-N 3.09Å; C250-S253 VanDerWaalsContact O-CB 3.3Å; C250-S253 WeakPolarHBondContact O-CB 3.39Å; C250-S253 PolarHBondContact O-N 2.8Å
251	P	91.4	Very high	89.4	Confident	95 Å²	95	58.9 Å²	58.9	62%	0.617	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-21	-174.6	26.9	-36.4	0	0	0	114.2	R247	R247-P251 WeakPolarHBondContact O-CA 3.37Å
252	N	91.6	Very high	89.1	Confident	160 Å²	160	63.3 Å²	63.3	86%	0.856	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	11	179.2	-57.4	-26.5	0	0	0	112.8	C250	C250-N252 PolarHBondContact O-N 3.39Å; C250-N252 VanDerWaalsContact O-N 3.09Å
253	S	91.5	Very high	88.7	Confident	30 Å²	30	65.9 Å²	65.9	21%	0.21	33%	0.33	C	S	.	.			trans	-69.9	146.3	176.8	-175	0	0	0	0	110.8	H246 C250 L255 E293	H246-S253 VanDerWaalsContact CE1-CB 3.49Å; H246-S253 WeakPolarHBondContact CE1-CB 3.3Å; H246-S253 PolarHBondContact NE2-OG 3.21Å; C250-S253 VanDerWaalsContact O-CB 3.3Å; C250-S253 WeakPolarHBondContact O-CB 3.39Å; C250-S253 PolarHBondContact O-N 2.8Å; S253-L255 VanDerWaalsContact C-N 3.32Å; S253-L255 PolarHBondContact OG-N 3.21Å; S253-E293 WeakPolarHBondContact CB-OE2 3.43Å; S253-E293 PolarHBondContact OG-OE1 3.25Å; S253-E293 PolarHBondContact OG-OE2 3.25Å
254	H	88.5	Confident	88.6	Confident	152 Å²	152	67.1 Å²	67.1	70%	0.704	34%	0.336	S	S	*	.			trans	-88.4	-3.6	174.2	60.4	-78.4	0	0	0	112.2
255	L	88.6	Confident	88.4	Confident	22 Å²	22	66.2 Å²	66.2	12%	0.115	33%	0.332	C	S	.	.			trans	-78.2	126.1	179.7	-61.3	177.3	0	0	0	110.6	S253 A289 A290 E293	S253-L255 VanDerWaalsContact C-N 3.32Å; S253-L255 PolarHBondContact OG-N 3.21Å; L255-A289 HydrophobicContact CD1-CB 3.8Å; L255-A290 HydrophobicContact CD1-CB 4.45Å; L255-E293 HydrophobicContact CD1-CG 4.47Å
256	T	83.4	Confident	88	Confident	110 Å²	110	69 Å²	69	68%	0.675	35%	0.349	S	S	*	.			trans	-107	103.5	175.7	-56.5	0	0	0	0	109.8	D258 M286	T256-D258 PolarHBondContact O-N 3.13Å; T256-M286 WeakPolarHBondContact O-CE 3.47Å
257	L	83.4	Confident	87.6	Confident	15 Å²	15	73.1 Å²	73.1	8%	0.079	38%	0.375	C	S	.	.			trans	-80.3	117.8	178.2	-65.5	176.1	0	0	0	110.9	L242 L243 H246 M286 D287 A290	L242-L257 HydrophobicContact CG-CD1 4.27Å; L243-L257 HydrophobicContact CD1-CB 3.55Å; L243-L257 HydrophobicContact CD1-CD1 4.21Å; L243-L257 HydrophobicContact CD1-CG 4.46Å; H246-L257 HydrophobicContact CB-CD1 4.1Å; L257-M286 HydrophobicContact CD2-CB 4.16Å; L257-D287 WeakPolarHBondContact CD2-OD1 3.48Å; L257-A290 HydrophobicContact CD1-CB 3.74Å; L257-A290 HydrophobicContact CD2-CB 3.85Å; L257-A290 HydrophobicContact CG-CB 4.15Å
258	D	78.4	Confident	87.3	Confident	78 Å²	78	67.1 Å²	67.1	42%	0.417	36%	0.355	S	S	.	.			trans	-94.9	124.2	177.8	-173.3	-4.9	0	0	0	110.9	T256 D260 V261 Y283	T256-D258 PolarHBondContact O-N 3.13Å; D258-D260 PolarHBondContact OD1-N 2.76Å; D258-V261 HydrophobicContact CB-CG2 4.46Å; D258-Y283 WeakPolarHBondContact O-CE2 3.49Å
259	K	77	Confident	87	Confident	106 Å²	106	66.5 Å²	66.5	46%	0.461	36%	0.356	S	S	.	.	S	Bend	trans	-82.2	-19	179.5	-81.7	179.2	164.8	169.9	0	113.3	L243 R262	L243-K259 HydrophobicContact CD2-CD 3.71Å; L243-K259 HydrophobicContact CD2-CG 4.11Å; K259-R262 WeakPolarHBondContact O-CB 3.31Å
260	D	83.1	Confident	86.6	Confident	114 Å²	114	66.3 Å²	66.3	61%	0.61	36%	0.355	S	S	*	.	S	Bend	trans	-80	-32.9	-168.6	-67.3	-31.1	0	0	0	111.8	D258 R262 N263	D258-D260 PolarHBondContact OD1-N 2.76Å; D260-R262 PolarHBondContact O-N 3.3Å; D260-N263 VanDerWaalsContact O-CB 3.3Å; D260-N263 WeakPolarHBondContact O-CB 3.4Å; D260-N263 PolarHBondContact O-N 3.08Å; D260-N263 PolarHBondContact O-ND2 3.27Å
261	V	85.8	Confident	86.3	Confident	23 Å²	23	69.8 Å²	69.8	14%	0.139	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-37.7	175.1	-177.6	0	0	0	0	111.5	D258 N263 I264 T279 V280 Y283	D258-V261 HydrophobicContact CB-CG2 4.46Å; V261-N263 PolarHBondContact O-N 3.28Å; V261-N263 VanDerWaalsContact O-N 3.14Å; V261-I264 HydrophobicContact CG1-CD1 4.28Å; V261-I264 WeakPolarHBondContact O-CB 3.48Å; V261-I264 WeakPolarHBondContact O-CG1 3.32Å; V261-I264 PolarHBondContact O-N 2.67Å; V261-I264 VanDerWaalsContact O-N 3.08Å; V261-T279 HydrophobicContact CG1-CG2 4.38Å; V261-T279 HydrophobicContact CG2-CG2 4.48Å; V261-V280 HydrophobicContact CG1-CG1 3.98Å; V261-Y283 HydrophobicContact CB-CD2 4Å; V261-Y283 HydrophobicContact CB-CG 4.11Å; V261-Y283 HydrophobicContact CG1-CD1 4.41Å; V261-Y283 HydrophobicContact CG1-CD2 4.31Å; V261-Y283 HydrophobicContact CG1-CG 3.89Å
262	R	84.6	Confident	86.2	Confident	140 Å²	140	68.2 Å²	68.2	53%	0.528	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-30.4	176.7	-171.7	-177	174.2	-148.7	-1.2	113	K259 D260 I264 F265 Y283	K259-R262 WeakPolarHBondContact O-CB 3.31Å; D260-R262 PolarHBondContact O-N 3.3Å; R262-I264 PolarHBondContact O-N 3.02Å; R262-I264 VanDerWaalsContact O-N 3.15Å; R262-F265 PolarHBondContact O-N 2.99Å; R262-Y283 HydrophobicContact CB-CE1 4.4Å; R262-Y283 HydrophobicContact CB-CE2 4.44Å
263	N	87.8	Confident	86.1	Confident	74 Å²	74	60.8 Å²	60.8	40%	0.396	32%	0.317	S	S	.	.	H	α-helix	trans	-62.9	-22.9	-179	-66.1	-39.3	0	0	0	112.3	D260 V261 F265 V266 T267	D260-N263 VanDerWaalsContact O-CB 3.3Å; D260-N263 WeakPolarHBondContact O-CB 3.4Å; D260-N263 PolarHBondContact O-N 3.08Å; D260-N263 PolarHBondContact O-ND2 3.27Å; V261-N263 PolarHBondContact O-N 3.28Å; V261-N263 VanDerWaalsContact O-N 3.14Å; N263-F265 PolarHBondContact O-N 2.85Å; N263-V266 PolarHBondContact O-N 3.19Å; N263-T267 PolarHBondContact O-N 3.14Å; N263-T267 PolarHBondContact O-OG1 3.34Å
264	I	89.3	Confident	86	Confident	40 Å²	40	62.7 Å²	62.7	21%	0.205	32%	0.32	C	S	.	.	H	α-helix	trans	-57.5	-38.8	174.1	-61	172.2	0	0	0	110.9	V261 R262 G268 D272 V273 T276 V280	V261-I264 HydrophobicContact CG1-CD1 4.28Å; V261-I264 WeakPolarHBondContact O-CB 3.48Å; V261-I264 WeakPolarHBondContact O-CG1 3.32Å; V261-I264 PolarHBondContact O-N 2.67Å; V261-I264 VanDerWaalsContact O-N 3.08Å; R262-I264 PolarHBondContact O-N 3.02Å; R262-I264 VanDerWaalsContact O-N 3.15Å; I264-G268 CarbonylContact O-C 3.15Å; I264-G268 WeakPolarHBondContact O-CA 3.46Å; I264-G268 PolarHBondContact O-N 3.22Å; I264-D272 HydrophobicContact CG2-CB 4.17Å; I264-V273 HydrophobicContact CG2-CG2 3.98Å; I264-T276 HydrophobicContact CD1-CG2 4.46Å; I264-V280 HydrophobicContact CD1-CG1 3.97Å
265	F	87.9	Confident	86.2	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.009	32%	0.318	C	S	.	.	H	α-helix	trans	-75.3	-25.1	176.6	-65.4	-65.6	0	0	0	113.4	E122 C124 L125 I133 R262 N263 V273 V280	E122-F265 HydrophobicContact CB-CD1 4.04Å; E122-F265 HydrophobicContact CB-CD2 4.09Å; E122-F265 HydrophobicContact CB-CE1 3.83Å; E122-F265 HydrophobicContact CB-CE2 3.88Å; E122-F265 HydrophobicContact CB-CG 4.18Å; E122-F265 HydrophobicContact CB-CZ 3.75Å; E122-F265 HydrophobicContact CG-CD2 3.94Å; E122-F265 HydrophobicContact CG-CE2 3.7Å; E122-F265 HydrophobicContact CG-CG 4.48Å; E122-F265 HydrophobicContact CG-CZ 4.04Å; C124-F265 CarbonylContact C-O 3.6Å; C124-F265 WeakPolarHBondContact CA-O 3.43Å; L125-F265 PolarHBondContact N-O 3.49Å; I133-F265 HydrophobicContact CD1-CE1 4.2Å; I133-F265 HydrophobicContact CD1-CZ 3.61Å; I133-F265 HydrophobicContact CG1-CE1 4.37Å; I133-F265 HydrophobicContact CG1-CZ 4.17Å; R262-F265 PolarHBondContact O-N 2.99Å; N263-F265 PolarHBondContact O-N 2.85Å; F265-V273 HydrophobicContact CD1-CG2 3.95Å; F265-V273 HydrophobicContact CE1-CG1 3.91Å; F265-V273 HydrophobicContact CE1-CG2 3.74Å; F265-V273 HydrophobicContact CZ-CG1 4.49Å; F265-V280 HydrophobicContact CE2-CB 3.96Å; F265-V280 HydrophobicContact CE2-CG1 4.12Å; F265-V280 HydrophobicContact CZ-CB 3.69Å; F265-V280 HydrophobicContact CZ-CG1 4.04Å; F265-V280 HydrophobicContact CZ-CG2 4.03Å
266	V	85.6	Confident	86.3	Confident	59 Å²	59	63.8 Å²	63.8	36%	0.358	33%	0.326	S	S	.	.	H	α-helix	trans	-87.3	-48.5	-175.5	179.4	0	0	0	0	111.9	L125 N263	L125-V266 HydrophobicContact CD1-CB 4.32Å; L125-V266 HydrophobicContact CD1-CG1 4.01Å; L125-V266 HydrophobicContact CD1-CG2 4.36Å; N263-V266 PolarHBondContact O-N 3.19Å
267	T	86.6	Confident	86.8	Confident	92 Å²	92	59 Å²	59	56%	0.564	30%	0.295	S	S	*	.	H	α-helix	trans	-112.8	-21.1	-173	58.6	0	0	0	0	113.3	R126 N263	R126-T267 VanDerWaalsContact CD-O 3.32Å; R126-T267 WeakPolarHBondContact CD-O 3.31Å; R126-T267 PolarHBondContact NE-O 3.1Å; N263-T267 PolarHBondContact O-N 3.14Å; N263-T267 PolarHBondContact O-OG1 3.34Å
268	G	86	Confident	87.3	Confident	9 Å²	9	61.4 Å²	61.4	9%	0.093	31%	0.306	C	S	.	.	S	Bend	trans	-78.8	179.9	179.2	0	0	0	0	0	113.8	C124 R126 I264	C124-G268 PolarHBondContact SG-O 3.03Å; R126-G268 WeakPolarHBondContact CD-O 3.2Å; I264-G268 CarbonylContact O-C 3.15Å; I264-G268 WeakPolarHBondContact O-CA 3.46Å; I264-G268 PolarHBondContact O-N 3.22Å
269	T	87.8	Confident	88	Confident	44 Å²	44	61.5 Å²	61.5	27%	0.27	31%	0.31	S	S	.	.			trans	-108.7	164.7	177.3	66.9	0	0	0	0	111.1	E271 D272 V273	T269-E271 PolarHBondContact O-N 3.15Å; T269-E271 VanDerWaalsContact O-N 3.14Å; T269-E271 PolarHBondContact OG1-N 3.21Å; T269-D272 WeakPolarHBondContact CB-OD2 3.16Å; T269-D272 PolarHBondContact N-OD2 3.2Å; T269-D272 WeakPolarHBondContact O-CB 3.45Å; T269-D272 PolarHBondContact O-N 3.34Å; T269-D272 VanDerWaalsContact OG1-CG 3.32Å; T269-D272 PolarHBondContact OG1-N 3.21Å; T269-D272 PolarHBondContact OG1-OD2 3.34Å; T269-V273 PolarHBondContact O-N 2.99Å; T269-V273 VanDerWaalsContact O-N 3.16Å
270	L	85.5	Confident	88.7	Confident	16 Å²	16	56.5 Å²	56.5	8%	0.084	29%	0.288	C	S	.	.	H	α-helix	trans	-55.1	-28.3	169.8	-87	174.6	0	0	0	114.3	C124 D127 V132 L150 V273 R274	C124-L270 HydrophobicContact CB-CD2 4.29Å; C124-L270 HydrophobicContact CB-CG 4.39Å; D127-L270 HydrophobicContact CB-CD1 3.85Å; D127-L270 HydrophobicContact CB-CG 4Å; D127-L270 WeakPolarHBondContact OD2-CB 3.33Å; D127-L270 WeakPolarHBondContact OD2-CG 3.34Å; D127-L270 PolarHBondContact OD2-N 2.64Å; V132-L270 HydrophobicContact CB-CD2 4.34Å; V132-L270 HydrophobicContact CG1-CD2 3.5Å; V132-L270 VanDerWaalsContact CG1-CD2 3.5Å; V132-L270 HydrophobicContact CG2-CD2 3.81Å; L150-L270 HydrophobicContact CD1-CD1 3.84Å; L150-L270 HydrophobicContact CD2-CD1 3.37Å; L150-L270 HydrophobicContact CG-CD1 3.56Å; L270-V273 PolarHBondContact O-N 2.84Å; L270-R274 WeakPolarHBondContact O-CG 3.4Å; L270-R274 PolarHBondContact O-N 3.1Å
271	E	88	Confident	89.2	Confident	85 Å²	85	51 Å²	51	40%	0.397	26%	0.259	S	S	.	.	H	α-helix	trans	-71	-35.4	177.1	-169.6	56.7	-154.2	0	0	111.5	T269 V273 R274 K275	T269-E271 PolarHBondContact O-N 3.15Å; T269-E271 VanDerWaalsContact O-N 3.14Å; T269-E271 PolarHBondContact OG1-N 3.21Å; E271-V273 VanDerWaalsContact C-N 3.34Å; E271-R274 PolarHBondContact O-N 2.68Å; E271-R274 IonicContact OE2-CZ 2.72Å; E271-R274 IonicContact OE2-NH1 3.73Å; E271-R274 PolarHBondContact OE2-NH1 3.28Å; E271-K275 WeakPolarHBondContact O-CG 3.46Å; E271-K275 PolarHBondContact O-N 3.35Å
272	D	90.6	Very high	89.6	Confident	61 Å²	61	52 Å²	52	33%	0.326	26%	0.264	S	S	.	.	H	α-helix	trans	-65.1	-41.7	173.8	-54.2	-47.9	0	0	0	110.5	I264 T269 R274 K275 T276	I264-D272 HydrophobicContact CG2-CB 4.17Å; T269-D272 WeakPolarHBondContact CB-OD2 3.16Å; T269-D272 PolarHBondContact N-OD2 3.2Å; T269-D272 WeakPolarHBondContact O-CB 3.45Å; T269-D272 PolarHBondContact O-N 3.34Å; T269-D272 VanDerWaalsContact OG1-CG 3.32Å; T269-D272 PolarHBondContact OG1-N 3.21Å; T269-D272 PolarHBondContact OG1-OD2 3.34Å; D272-R274 VanDerWaalsContact C-N 3.32Å; D272-R274 PolarHBondContact O-N 3Å; D272-K275 PolarHBondContact O-N 3.4Å; D272-T276 WeakPolarHBondContact O-CB 3.24Å; D272-T276 PolarHBondContact O-N 2.98Å; D272-T276 PolarHBondContact O-OG1 2.96Å
273	V	89.2	Confident	90	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.024	24%	0.243	C	C	.	.	H	α-helix	trans	-59.8	-41	173.6	177.8	0	0	0	0	111.3	V132 I264 F265 T269 L270 E271 T276 F277 V280	V132-V273 HydrophobicContact CG1-CG1 4.06Å; I264-V273 HydrophobicContact CG2-CG2 3.98Å; F265-V273 HydrophobicContact CD1-CG2 3.95Å; F265-V273 HydrophobicContact CE1-CG1 3.91Å; F265-V273 HydrophobicContact CE1-CG2 3.74Å; F265-V273 HydrophobicContact CZ-CG1 4.49Å; T269-V273 PolarHBondContact O-N 2.99Å; T269-V273 VanDerWaalsContact O-N 3.16Å; L270-V273 PolarHBondContact O-N 2.84Å; E271-V273 VanDerWaalsContact C-N 3.34Å; V273-T276 CarbonylContact O-C 3.59Å; V273-T276 PolarHBondContact O-N 3.24Å; V273-F277 VanDerWaalsContact O-CA 3.25Å; V273-F277 WeakPolarHBondContact O-CA 3.22Å; V273-F277 PolarHBondContact O-N 3.02Å; V273-V280 HydrophobicContact CG1-CG2 4.28Å
274	R	89.4	Confident	90.3	Very high	70 Å²	70	42.6 Å²	42.6	26%	0.264	22%	0.224	S	C	.	.	H	α-helix	trans	-65.3	-47	177	-73.1	-178.4	-165.1	124.6	10.3	112.1	F92 L270 E271 D272 T276 F277	F92-R274 HydrophobicContact CZ-CG 4.06Å; L270-R274 WeakPolarHBondContact O-CG 3.4Å; L270-R274 PolarHBondContact O-N 3.1Å; E271-R274 PolarHBondContact O-N 2.68Å; E271-R274 IonicContact OE2-CZ 2.72Å; E271-R274 IonicContact OE2-NH1 3.73Å; E271-R274 PolarHBondContact OE2-NH1 3.28Å; D272-R274 VanDerWaalsContact C-N 3.32Å; D272-R274 PolarHBondContact O-N 3Å; R274-T276 PolarHBondContact O-N 3.48Å; R274-F277 WeakPolarHBondContact O-CB 3.36Å; R274-F277 PolarHBondContact O-N 2.88Å
275	K	91.6	Very high	90.6	Very high	155 Å²	155	40.7 Å²	40.7	67%	0.674	21%	0.214	S	C	*	.	H	α-helix	trans	-63.3	-32.1	-179.8	-72.7	172.9	-179.1	172.2	0	112.3	E271 D272	E271-K275 WeakPolarHBondContact O-CG 3.46Å; E271-K275 PolarHBondContact O-N 3.35Å; D272-K275 PolarHBondContact O-N 3.4Å
276	T	91.9	Very high	90.9	Very high	43 Å²	43	42.7 Å²	42.7	26%	0.264	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	19.8	-178.1	60.3	0	0	0	0	113.2	I264 D272 V273 R274 Q278 T279 V280	I264-T276 HydrophobicContact CD1-CG2 4.46Å; D272-T276 WeakPolarHBondContact O-CB 3.24Å; D272-T276 PolarHBondContact O-N 2.98Å; D272-T276 PolarHBondContact O-OG1 2.96Å; V273-T276 CarbonylContact O-C 3.59Å; V273-T276 PolarHBondContact O-N 3.24Å; R274-T276 PolarHBondContact O-N 3.48Å; T276-Q278 VanDerWaalsContact C-N 3.33Å; T276-Q278 PolarHBondContact O-N 3.2Å; T276-Q278 VanDerWaalsContact O-N 3.16Å; T276-T279 WeakPolarHBondContact O-CA 3.4Å; T276-T279 WeakPolarHBondContact O-CB 3.38Å; T276-T279 PolarHBondContact O-N 3.38Å; T276-V280 PolarHBondContact O-N 2.83Å
277	F	92.7	Very high	91.4	Very high	10 Å²	10	40.7 Å²	40.7	4%	0.044	21%	0.211	C	C	.	.	H	α-helix	trans	-50.4	-47.1	-169.8	176.8	-100.9	0	0	0	113.8	W90 F92 I133 C146 V273 R274 T279 V280 M281	W90-F277 HydrophobicContact CB-CE1 4.06Å; F92-F277 HydrophobicContact CB-CD1 3.91Å; F92-F277 HydrophobicContact CB-CE1 3.65Å; F92-F277 HydrophobicContact CB-CZ 4.04Å; F92-F277 HydrophobicContact CD2-CD1 4.16Å; F92-F277 AromaticContact CD2-CD2 3.62Å; F92-F277 HydrophobicContact CD2-CD2 3.62Å; F92-F277 HydrophobicContact CD2-CE1 4.01Å; F92-F277 AromaticContact CD2-CE2 3.44Å; F92-F277 HydrophobicContact CD2-CE2 3.44Å; F92-F277 VanDerWaalsContact CD2-CE2 3.44Å; F92-F277 AromaticContact CD2-CG 3.98Å; F92-F277 HydrophobicContact CD2-CG 3.98Å; F92-F277 AromaticContact CD2-CZ 3.65Å; F92-F277 HydrophobicContact CD2-CZ 3.65Å; F92-F277 AromaticContact CE2-CD2 3.86Å; F92-F277 HydrophobicContact CE2-CD2 3.86Å; F92-F277 AromaticContact CE2-CE2 3.93Å; F92-F277 HydrophobicContact CE2-CE2 3.93Å; F92-F277 HydrophobicContact CE2-CG 4.43Å; F92-F277 HydrophobicContact CG-CD1 4.11Å; F92-F277 HydrophobicContact CG-CD2 4.32Å; F92-F277 HydrophobicContact CG-CE1 4.11Å; F92-F277 HydrophobicContact CG-CE2 4.31Å; F92-F277 HydrophobicContact CG-CG 4.22Å; F92-F277 HydrophobicContact CG-CZ 4.21Å; I133-F277 HydrophobicContact CG2-CE2 4.06Å; C146-F277 VanDerWaalsContact SG-CE2 3.53Å; C146-F277 WeakPolarHBondContact SG-CZ 3.38Å; V273-F277 VanDerWaalsContact O-CA 3.25Å; V273-F277 WeakPolarHBondContact O-CA 3.22Å; V273-F277 PolarHBondContact O-N 3.02Å; R274-F277 WeakPolarHBondContact O-CB 3.36Å; R274-F277 PolarHBondContact O-N 2.88Å; F277-T279 PolarHBondContact O-N 2.99Å; F277-V280 VanDerWaalsContact O-CG2 3.26Å; F277-V280 WeakPolarHBondContact O-CG2 3.3Å; F277-V280 PolarHBondContact O-N 2.87Å; F277-M281 HydrophobicContact CD1-CG 4.32Å; F277-M281 HydrophobicContact CD2-CG 4.09Å; F277-M281 HydrophobicContact CE1-CG 3.86Å; F277-M281 HydrophobicContact CE2-CG 3.6Å; F277-M281 HydrophobicContact CE2-SD 4.03Å; F277-M281 HydrophobicContact CG-CG 4.43Å; F277-M281 HydrophobicContact CZ-CG 3.47Å; F277-M281 VanDerWaalsContact CZ-CG 3.47Å; F277-M281 HydrophobicContact CZ-SD 4.08Å; F277-M281 WeakPolarHBondContact O-CB 3.12Å; F277-M281 WeakPolarHBondContact O-CG 3.4Å; F277-M281 PolarHBondContact O-N 3.45Å
278	Q	93.9	Very high	91.8	Very high	65 Å²	65	36.3 Å²	36.3	30%	0.304	18%	0.184	S	C	.	.	H	α-helix	trans	-63.9	-41.8	179.8	-63.6	-58.7	-25.1	0	0	112.3	W90 T276 T282	W90-Q278 PolarHBondContact O-NE2 2.97Å; T276-Q278 VanDerWaalsContact C-N 3.33Å; T276-Q278 PolarHBondContact O-N 3.2Å; T276-Q278 VanDerWaalsContact O-N 3.16Å; Q278-T282 WeakPolarHBondContact O-CB 3.22Å; Q278-T282 PolarHBondContact O-N 2.6Å; Q278-T282 PolarHBondContact O-OG1 3.47Å
279	T	93	Very high	92.4	Very high	80 Å²	80	35.9 Å²	35.9	49%	0.491	18%	0.18	S	C	.	.	H	α-helix	trans	-63.4	-48.8	178.4	-51.4	0	0	0	0	111	V261 T276 F277 T282 Y283	V261-T279 HydrophobicContact CG1-CG2 4.38Å; V261-T279 HydrophobicContact CG2-CG2 4.48Å; T276-T279 WeakPolarHBondContact O-CA 3.4Å; T276-T279 WeakPolarHBondContact O-CB 3.38Å; T276-T279 PolarHBondContact O-N 3.38Å; F277-T279 PolarHBondContact O-N 2.99Å; T279-T282 PolarHBondContact O-N 3.41Å; T279-Y283 PolarHBondContact O-N 3.02Å
280	V	92.4	Very high	92.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-70.2	-34.9	-178.6	-61.6	0	0	0	0	112.5	I133 V261 I264 F265 V273 T276 F277 Y283 C284	I133-V280 HydrophobicContact CD1-CB 4.42Å; I133-V280 HydrophobicContact CD1-CG2 3.96Å; V261-V280 HydrophobicContact CG1-CG1 3.98Å; I264-V280 HydrophobicContact CD1-CG1 3.97Å; F265-V280 HydrophobicContact CE2-CB 3.96Å; F265-V280 HydrophobicContact CE2-CG1 4.12Å; F265-V280 HydrophobicContact CZ-CB 3.69Å; F265-V280 HydrophobicContact CZ-CG1 4.04Å; F265-V280 HydrophobicContact CZ-CG2 4.03Å; V273-V280 HydrophobicContact CG1-CG2 4.28Å; T276-V280 PolarHBondContact O-N 2.83Å; F277-V280 VanDerWaalsContact O-CG2 3.26Å; F277-V280 WeakPolarHBondContact O-CG2 3.3Å; F277-V280 PolarHBondContact O-N 2.87Å; V280-Y283 WeakPolarHBondContact O-CB 3.41Å; V280-Y283 PolarHBondContact O-N 2.91Å; V280-C284 PolarHBondContact O-N 3.3Å; V280-C284 PolarHBondContact O-SG 3.04Å
281	M	93.4	Very high	93.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.2	-41.7	173.5	-79.4	-58.6	-46.6	0	0	111.9	W90 I133 T135 S144 F277 Y283 C284 A285	W90-M281 HydrophobicContact CB-CB 4.14Å; W90-M281 HydrophobicContact CB-CG 4.24Å; W90-M281 HydrophobicContact CD2-CB 4.14Å; W90-M281 HydrophobicContact CD2-CE 4.15Å; W90-M281 HydrophobicContact CE3-CE 3.98Å; W90-M281 HydrophobicContact CG-CB 3.7Å; W90-M281 HydrophobicContact CG-CG 4.29Å; W90-M281 HydrophobicContact CZ3-CE 4.41Å; I133-M281 HydrophobicContact CB-SD 3.95Å; I133-M281 HydrophobicContact CD1-CG 4.49Å; I133-M281 HydrophobicContact CD1-SD 3.74Å; I133-M281 HydrophobicContact CG1-SD 4.35Å; I133-M281 HydrophobicContact CG2-SD 4.12Å; T135-M281 WeakPolarHBondContact OG1-CE 2.94Å; S144-M281 VanDerWaalsContact CB-CE 3.45Å; F277-M281 HydrophobicContact CD1-CG 4.32Å; F277-M281 HydrophobicContact CD2-CG 4.09Å; F277-M281 HydrophobicContact CE1-CG 3.86Å; F277-M281 HydrophobicContact CE2-CG 3.6Å; F277-M281 HydrophobicContact CE2-SD 4.03Å; F277-M281 HydrophobicContact CG-CG 4.43Å; F277-M281 HydrophobicContact CZ-CG 3.47Å; F277-M281 VanDerWaalsContact CZ-CG 3.47Å; F277-M281 HydrophobicContact CZ-SD 4.08Å; F277-M281 WeakPolarHBondContact O-CB 3.12Å; F277-M281 WeakPolarHBondContact O-CG 3.4Å; F277-M281 PolarHBondContact O-N 3.45Å; M281-Y283 VanDerWaalsContact C-N 3.34Å; M281-C284 PolarHBondContact O-N 2.83Å; M281-A285 PolarHBondContact O-N 3.22Å
282	T	94.1	Very high	93.8	Very high	42 Å²	42	29.3 Å²	29.3	26%	0.258	15%	0.146	S	C	.	.	H	α-helix	trans	-63.3	-42.7	175.4	-57.8	0	0	0	0	110.7	I86 W90 Q278 T279 C284 A285 M286	I86-T282 HydrophobicContact CG2-CG2 4.07Å; W90-T282 PolarHBondContact NE1-OG1 3.34Å; Q278-T282 WeakPolarHBondContact O-CB 3.22Å; Q278-T282 PolarHBondContact O-N 2.6Å; Q278-T282 PolarHBondContact O-OG1 3.47Å; T279-T282 PolarHBondContact O-N 3.41Å; T282-C284 PolarHBondContact O-N 2.91Å; T282-A285 PolarHBondContact O-N 3.28Å; T282-M286 VanDerWaalsContact O-CG 3.31Å; T282-M286 WeakPolarHBondContact O-CG 3.32Å; T282-M286 PolarHBondContact O-N 3.31Å
283	Y	93.5	Very high	94.1	Very high	18 Å²	18	28.2 Å²	28.2	7%	0.071	14%	0.139	C	C	.	.	H	α-helix	trans	-55.5	-50.1	171.8	163.1	-93.8	0	0	0	112.1	D258 V261 R262 T279 V280 M281 A285 M286 D287	D258-Y283 WeakPolarHBondContact O-CE2 3.49Å; V261-Y283 HydrophobicContact CB-CD2 4Å; V261-Y283 HydrophobicContact CB-CG 4.11Å; V261-Y283 HydrophobicContact CG1-CD1 4.41Å; V261-Y283 HydrophobicContact CG1-CD2 4.31Å; V261-Y283 HydrophobicContact CG1-CG 3.89Å; R262-Y283 HydrophobicContact CB-CE1 4.4Å; R262-Y283 HydrophobicContact CB-CE2 4.44Å; T279-Y283 PolarHBondContact O-N 3.02Å; V280-Y283 WeakPolarHBondContact O-CB 3.41Å; V280-Y283 PolarHBondContact O-N 2.91Å; M281-Y283 VanDerWaalsContact C-N 3.34Å; Y283-A285 VanDerWaalsContact C-N 3.29Å; Y283-A285 PolarHBondContact O-N 2.73Å; Y283-M286 WeakPolarHBondContact O-CB 3.14Å; Y283-M286 PolarHBondContact O-N 3.06Å; Y283-D287 PolarHBondContact O-N 3.37Å; Y283-D287 PolarHBondContact OH-OD2 2.94Å
284	C	94.1	Very high	94.5	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.7	-39.6	177.9	-61.5	0	0	0	0	111.5	E122 T135 V280 M281 T282 M286 D287 V288	E122-C284 VanDerWaalsContact CG-SG 3.56Å; T135-C284 VanDerWaalsContact OG1-CB 3.29Å; T135-C284 WeakPolarHBondContact OG1-CB 3.46Å; V280-C284 PolarHBondContact O-N 3.3Å; V280-C284 PolarHBondContact O-SG 3.04Å; M281-C284 PolarHBondContact O-N 2.83Å; T282-C284 PolarHBondContact O-N 2.91Å; C284-M286 VanDerWaalsContact C-N 3.32Å; C284-M286 PolarHBondContact O-N 2.7Å; C284-D287 PolarHBondContact O-N 2.8Å; C284-V288 WeakPolarHBondContact O-CG2 3.44Å; C284-V288 PolarHBondContact O-N 3.18Å
285	A	95.2	Very high	95	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-65	-35.2	175.8	0	0	0	0	0	112.7	I86 W90 T135 W142 M281 T282 Y283 V288 A289	I86-A285 HydrophobicContact CG2-CB 4.01Å; W90-A285 HydrophobicContact CH2-CB 3.8Å; W90-A285 HydrophobicContact CZ2-CB 3.45Å; W90-A285 VanDerWaalsContact CZ2-CB 3.45Å; T135-A285 HydrophobicContact CG2-CB 4.08Å; W142-A285 HydrophobicContact CH2-CB 4.39Å; W142-A285 HydrophobicContact CZ3-CB 4.22Å; M281-A285 PolarHBondContact O-N 3.22Å; T282-A285 PolarHBondContact O-N 3.28Å; Y283-A285 VanDerWaalsContact C-N 3.29Å; Y283-A285 PolarHBondContact O-N 2.73Å; A285-V288 PolarHBondContact O-N 2.97Å; A285-A289 VanDerWaalsContact O-CB 3.3Å; A285-A289 WeakPolarHBondContact O-CB 3.49Å; A285-A289 PolarHBondContact O-N 3.38Å
286	M	94.7	Very high	95.2	Very high	44 Å²	44	19.4 Å²	19.4	22%	0.217	11%	0.105	C	C	.	.	H	α-helix	trans	-66.6	-41.6	173.3	-68.3	178.9	78.3	0	0	111.9	I86 T256 L257 T282 Y283 C284 A289 A290	I86-M286 HydrophobicContact CD1-CB 4.28Å; I86-M286 HydrophobicContact CD1-CG 3.39Å; T256-M286 WeakPolarHBondContact O-CE 3.47Å; L257-M286 HydrophobicContact CD2-CB 4.16Å; T282-M286 VanDerWaalsContact O-CG 3.31Å; T282-M286 WeakPolarHBondContact O-CG 3.32Å; T282-M286 PolarHBondContact O-N 3.31Å; Y283-M286 WeakPolarHBondContact O-CB 3.14Å; Y283-M286 PolarHBondContact O-N 3.06Å; C284-M286 VanDerWaalsContact C-N 3.32Å; C284-M286 PolarHBondContact O-N 2.7Å; M286-A289 PolarHBondContact O-N 3.05Å; M286-A290 WeakPolarHBondContact O-CB 3.27Å; M286-A290 PolarHBondContact O-N 2.9Å
287	D	95.2	Very high	95.5	Very high	17 Å²	17	22.4 Å²	22.4	9%	0.091	12%	0.115	C	C	.	.	H	α-helix	trans	-63.7	-41.9	175.1	-87.3	-3.3	0	0	0	111.5	L242 L257 Y283 C284 A290 T291	L242-D287 HydrophobicContact CD2-CB 3.97Å; L257-D287 WeakPolarHBondContact CD2-OD1 3.48Å; Y283-D287 PolarHBondContact O-N 3.37Å; Y283-D287 PolarHBondContact OH-OD2 2.94Å; C284-D287 PolarHBondContact O-N 2.8Å; D287-A290 PolarHBondContact O-N 3.35Å; D287-T291 VanDerWaalsContact O-CB 3.28Å; D287-T291 WeakPolarHBondContact O-CB 3.35Å; D287-T291 PolarHBondContact O-N 2.98Å; D287-T291 PolarHBondContact O-OG1 3.01Å
288	V	96.5	Very high	95.7	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61.9	-44.9	173.1	171	0	0	0	0	111.3	V118 D120 T135 M137 W142 C284 A285 T291 F292	V118-V288 HydrophobicContact CB-CG1 3.79Å; V118-V288 HydrophobicContact CG1-CB 4.48Å; V118-V288 HydrophobicContact CG1-CG1 3.81Å; V118-V288 WeakPolarHBondContact CG1-O 3.41Å; D120-V288 HydrophobicContact CB-CG2 3.53Å; T135-V288 HydrophobicContact CG2-CG2 4.11Å; M137-V288 HydrophobicContact CB-CG1 3.62Å; W142-V288 HydrophobicContact CH2-CG1 4.18Å; W142-V288 HydrophobicContact CZ3-CB 4.12Å; W142-V288 HydrophobicContact CZ3-CG1 3.68Å; C284-V288 WeakPolarHBondContact O-CG2 3.44Å; C284-V288 PolarHBondContact O-N 3.18Å; A285-V288 PolarHBondContact O-N 2.97Å; V288-T291 PolarHBondContact O-N 3.22Å; V288-F292 PolarHBondContact O-N 3.25Å
289	A	96.9	Very high	95.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.7	-46.3	177.3	0	0	0	0	0	112.1	V83 W142 L255 A285 M286 T291 F292 E293	V83-A289 HydrophobicContact CG1-CB 3.7Å; W142-A289 HydrophobicContact CH2-CB 4.31Å; L255-A289 HydrophobicContact CD1-CB 3.8Å; A285-A289 VanDerWaalsContact O-CB 3.3Å; A285-A289 WeakPolarHBondContact O-CB 3.49Å; A285-A289 PolarHBondContact O-N 3.38Å; M286-A289 PolarHBondContact O-N 3.05Å; A289-T291 VanDerWaalsContact C-N 3.33Å; A289-T291 PolarHBondContact O-N 3.38Å; A289-F292 WeakPolarHBondContact O-CB 3.36Å; A289-F292 PolarHBondContact O-N 3.41Å; A289-E293 PolarHBondContact O-N 2.95Å
290	A	96.6	Very high	96.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-64.1	-39.3	176.8	0	0	0	0	0	112	H246 L255 L257 M286 D287 F292 E293 V294	H246-A290 HydrophobicContact CB-CB 4.46Å; L255-A290 HydrophobicContact CD1-CB 4.45Å; L257-A290 HydrophobicContact CD1-CB 3.74Å; L257-A290 HydrophobicContact CD2-CB 3.85Å; L257-A290 HydrophobicContact CG-CB 4.15Å; M286-A290 WeakPolarHBondContact O-CB 3.27Å; M286-A290 PolarHBondContact O-N 2.9Å; D287-A290 PolarHBondContact O-N 3.35Å; A290-F292 VanDerWaalsContact C-N 3.3Å; A290-F292 PolarHBondContact O-N 3.47Å; A290-E293 PolarHBondContact O-N 2.68Å; A290-V294 WeakPolarHBondContact O-CG2 3.23Å; A290-V294 PolarHBondContact O-N 3.24Å
291	T	97.6	Very high	96.3	Very high	3 Å²	3	20.7 Å²	20.7	2%	0.018	11%	0.108	C	C	.	.	H	α-helix	trans	-60.8	-40.8	174.2	-63.1	0	0	0	0	111.2	V118 I175 H177 T202 D287 V288 A289 V294 F295	V118-T291 HydrophobicContact CG1-CG2 3.64Å; I175-T291 HydrophobicContact CG2-CG2 4.3Å; H177-T291 HydrophobicContact CB-CG2 4.17Å; T202-T291 HydrophobicContact CG2-CG2 4.03Å; D287-T291 VanDerWaalsContact O-CB 3.28Å; D287-T291 WeakPolarHBondContact O-CB 3.35Å; D287-T291 PolarHBondContact O-N 2.98Å; D287-T291 PolarHBondContact O-OG1 3.01Å; V288-T291 PolarHBondContact O-N 3.22Å; A289-T291 VanDerWaalsContact C-N 3.33Å; A289-T291 PolarHBondContact O-N 3.38Å; T291-V294 PolarHBondContact O-N 3.1Å; T291-F295 WeakPolarHBondContact O-CB 3.37Å; T291-F295 PolarHBondContact O-N 3.18Å
292	F	97.9	Very high	96.5	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.018	11%	0.108	C	C	.	.	H	α-helix	trans	-61.8	-47.9	173.6	-178	-99.3	0	0	0	112.2	F78 C81 V83 V118 M137 V288 A289 A290 V294 F295 V296	F78-F292 HydrophobicContact CD1-CD2 4.46Å; F78-F292 HydrophobicContact CD1-CE2 4.06Å; F78-F292 AromaticContact CD2-CE2 3.99Å; F78-F292 HydrophobicContact CD2-CE2 3.99Å; F78-F292 AromaticContact CE1-CD2 3.92Å; F78-F292 HydrophobicContact CE1-CD2 3.92Å; F78-F292 AromaticContact CE1-CE2 3.88Å; F78-F292 HydrophobicContact CE1-CE2 3.88Å; F78-F292 HydrophobicContact CE2-CD2 4.33Å; F78-F292 AromaticContact CE2-CE2 3.77Å; F78-F292 HydrophobicContact CE2-CE2 3.77Å; F78-F292 HydrophobicContact CG-CE2 4.12Å; F78-F292 AromaticContact CZ-CD2 3.84Å; F78-F292 HydrophobicContact CZ-CD2 3.84Å; F78-F292 AromaticContact CZ-CE2 3.72Å; F78-F292 HydrophobicContact CZ-CE2 3.72Å; F78-F292 WeakPolarHBondContact O-CZ 3.27Å; C81-F292 HydrophobicContact CB-CZ 4.08Å; C81-F292 WeakPolarHBondContact O-CE1 3.23Å; C81-F292 WeakPolarHBondContact O-CZ 3.44Å; V83-F292 HydrophobicContact CG2-CD1 3.57Å; V83-F292 HydrophobicContact CG2-CE1 4.2Å; V118-F292 HydrophobicContact CG2-CB 3.84Å; V118-F292 HydrophobicContact CG2-CD2 3.7Å; V118-F292 HydrophobicContact CG2-CG 4.26Å; M137-F292 HydrophobicContact CE-CB 3.69Å; M137-F292 HydrophobicContact CE-CD1 3.93Å; M137-F292 HydrophobicContact CE-CD2 3.38Å; M137-F292 HydrophobicContact CE-CE1 4.4Å; M137-F292 HydrophobicContact CE-CE2 3.92Å; M137-F292 HydrophobicContact CE-CG 3.38Å; M137-F292 HydrophobicContact CE-CZ 4.39Å; V288-F292 PolarHBondContact O-N 3.25Å; A289-F292 WeakPolarHBondContact O-CB 3.36Å; A289-F292 PolarHBondContact O-N 3.41Å; A290-F292 VanDerWaalsContact C-N 3.3Å; A290-F292 PolarHBondContact O-N 3.47Å; F292-V294 VanDerWaalsContact C-N 3.32Å; F292-V294 PolarHBondContact O-N 3Å; F292-F295 HydrophobicContact CD2-CD1 4.14Å; F292-F295 HydrophobicContact CE2-CD1 4.31Å; F292-F295 HydrophobicContact CE2-CE1 4.42Å; F292-F295 WeakPolarHBondContact O-CB 3.32Å; F292-F295 PolarHBondContact O-N 3.36Å; F292-V296 HydrophobicContact CD1-CG2 4.05Å; F292-V296 HydrophobicContact CE1-CG2 3.65Å; F292-V296 HydrophobicContact CE2-CG2 4.18Å; F292-V296 HydrophobicContact CZ-CG2 3.73Å; F292-V296 WeakPolarHBondContact O-CG2 3.16Å; F292-V296 PolarHBondContact O-N 3.37Å
293	E	97.4	Very high	96.6	Very high	37 Å²	37	21.2 Å²	21.2	17%	0.173	11%	0.105	C	C	.	.	H	α-helix	trans	-60.1	-43.8	178.6	-66.9	-167.5	146.3	0	0	111.7	V83 H246 S253 L255 A289 A290 F295 V296 K297	V83-E293 HydrophobicContact CG2-CG 3.75Å; H246-E293 IonicContact CD2-OE2 3.9Å; H246-E293 IonicContact CE1-OE2 3.5Å; H246-E293 IonicContact NE2-OE2 3.31Å; H246-E293 PolarHBondContact NE2-OE2 2.98Å; S253-E293 WeakPolarHBondContact CB-OE2 3.43Å; S253-E293 PolarHBondContact OG-OE1 3.25Å; S253-E293 PolarHBondContact OG-OE2 3.25Å; L255-E293 HydrophobicContact CD1-CG 4.47Å; A289-E293 PolarHBondContact O-N 2.95Å; A290-E293 PolarHBondContact O-N 2.68Å; E293-F295 PolarHBondContact O-N 3.37Å; E293-V296 PolarHBondContact O-N 2.85Å; E293-K297 WeakPolarHBondContact O-CG 3.33Å; E293-K297 PolarHBondContact O-N 3.07Å; E293-K297 VanDerWaalsContact O-N 3.12Å
294	V	97.5	Very high	96.8	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.9	-46.2	175.1	167.6	0	0	0	0	110.8	T202 L242 V245 H246 A290 T291 F292 V296 K297 L298	T202-V294 HydrophobicContact CG2-CG1 4.31Å; L242-V294 HydrophobicContact CD1-CG2 4.47Å; V245-V294 HydrophobicContact CG1-CG1 3.63Å; V245-V294 HydrophobicContact CG1-CG2 4.19Å; H246-V294 HydrophobicContact CB-CG2 3.83Å; A290-V294 WeakPolarHBondContact O-CG2 3.23Å; A290-V294 PolarHBondContact O-N 3.24Å; T291-V294 PolarHBondContact O-N 3.1Å; F292-V294 VanDerWaalsContact C-N 3.32Å; F292-V294 PolarHBondContact O-N 3Å; V294-V296 PolarHBondContact O-N 3.45Å; V294-K297 PolarHBondContact O-N 3.35Å; V294-L298 HydrophobicContact CG1-CD1 3.5Å; V294-L298 HydrophobicContact CG1-CG 4.16Å; V294-L298 WeakPolarHBondContact O-CB 3.47Å; V294-L298 WeakPolarHBondContact O-CG 3.28Å; V294-L298 PolarHBondContact O-N 3.42Å
295	F	98	Very high	96.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-56.7	-49.4	176.7	155.5	-109.4	0	0	0	111.8	L75 F78 A79 I175 T202 T291 F292 E293 K297 L298 M299	L75-F295 HydrophobicContact CB-CE2 4.3Å; L75-F295 HydrophobicContact CB-CZ 4Å; L75-F295 HydrophobicContact CD2-CE2 3.7Å; L75-F295 HydrophobicContact CD2-CZ 3.76Å; L75-F295 HydrophobicContact CG-CE2 4.47Å; L75-F295 HydrophobicContact CG-CZ 4.47Å; F78-F295 HydrophobicContact CD1-CE1 4.43Å; A79-F295 HydrophobicContact CB-CE1 3.89Å; A79-F295 HydrophobicContact CB-CZ 4.1Å; I175-F295 HydrophobicContact CG1-CD1 4.49Å; I175-F295 HydrophobicContact CG1-CD2 4.23Å; I175-F295 HydrophobicContact CG1-CE2 4.36Å; I175-F295 HydrophobicContact CG1-CG 4.31Å; I175-F295 HydrophobicContact CG2-CB 3.8Å; I175-F295 HydrophobicContact CG2-CD2 4.19Å; I175-F295 HydrophobicContact CG2-CG 3.94Å; T202-F295 HydrophobicContact CG2-CB 3.84Å; T291-F295 WeakPolarHBondContact O-CB 3.37Å; T291-F295 PolarHBondContact O-N 3.18Å; F292-F295 HydrophobicContact CD2-CD1 4.14Å; F292-F295 HydrophobicContact CE2-CD1 4.31Å; F292-F295 HydrophobicContact CE2-CE1 4.42Å; F292-F295 WeakPolarHBondContact O-CB 3.32Å; F292-F295 PolarHBondContact O-N 3.36Å; E293-F295 PolarHBondContact O-N 3.37Å; F295-K297 PolarHBondContact O-N 3.15Å; F295-L298 PolarHBondContact O-N 3.32Å; F295-M299 HydrophobicContact CD2-CB 4.31Å; F295-M299 HydrophobicContact CE2-CB 3.95Å; F295-M299 HydrophobicContact CE2-CG 4.18Å; F295-M299 HydrophobicContact CE2-SD 3.91Å; F295-M299 HydrophobicContact CZ-SD 3.8Å; F295-M299 WeakPolarHBondContact O-CB 3.37Å; F295-M299 PolarHBondContact O-N 2.89Å
296	V	97.7	Very high	97	Very high	44 Å²	44	25.2 Å²	25.2	27%	0.267	12%	0.124	S	C	.	.	H	α-helix	trans	-58.6	-37.8	179.4	171.7	0	0	0	0	111.4	A79 F292 E293 V294 P300	A79-V296 HydrophobicContact CB-CG2 4.2Å; F292-V296 HydrophobicContact CD1-CG2 4.05Å; F292-V296 HydrophobicContact CE1-CG2 3.65Å; F292-V296 HydrophobicContact CE2-CG2 4.18Å; F292-V296 HydrophobicContact CZ-CG2 3.73Å; F292-V296 WeakPolarHBondContact O-CG2 3.16Å; F292-V296 PolarHBondContact O-N 3.37Å; E293-V296 PolarHBondContact O-N 2.85Å; V294-V296 PolarHBondContact O-N 3.45Å; V296-P300 WeakPolarHBondContact O-CD 3.27Å
297	K	96.5	Very high	97.1	Very high	107 Å²	107	26.5 Å²	26.5	47%	0.465	14%	0.136	S	C	.	.	H	α-helix	trans	-75.9	-37.9	176.9	-65.3	-60.2	-177.8	-175.1	0	113.5	H249 E293 V294 F295 Q301	H249-K297 HydrophobicContact CB-CB 4.09Å; E293-K297 WeakPolarHBondContact O-CG 3.33Å; E293-K297 PolarHBondContact O-N 3.07Å; E293-K297 VanDerWaalsContact O-N 3.12Å; V294-K297 PolarHBondContact O-N 3.35Å; F295-K297 PolarHBondContact O-N 3.15Å; K297-Q301 WeakPolarHBondContact O-CG 3.24Å; K297-Q301 PolarHBondContact O-NE2 3.41Å
298	L	97.2	Very high	97.3	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-78.6	-36.6	-176.2	-81.2	177.5	0	0	0	113.4	T202 T205 H206 H249 V294 F295 Q301 F302	T202-L298 WeakPolarHBondContact O-CD1 3.22Å; T205-L298 HydrophobicContact CG2-CB 3.88Å; T205-L298 HydrophobicContact CG2-CD1 4.19Å; T205-L298 HydrophobicContact CG2-CD2 4.39Å; T205-L298 HydrophobicContact CG2-CG 4.41Å; H206-L298 HydrophobicContact CB-CD1 4.02Å; H249-L298 WeakPolarHBondContact CE1-CD2 3.25Å; H249-L298 WeakPolarHBondContact NE2-CD2 3.48Å; V294-L298 HydrophobicContact CG1-CD1 3.5Å; V294-L298 HydrophobicContact CG1-CG 4.16Å; V294-L298 WeakPolarHBondContact O-CB 3.47Å; V294-L298 WeakPolarHBondContact O-CG 3.28Å; V294-L298 PolarHBondContact O-N 3.42Å; F295-L298 PolarHBondContact O-N 3.32Å; L298-Q301 WeakPolarHBondContact O-CB 3.46Å; L298-Q301 PolarHBondContact O-N 2.99Å; L298-F302 PolarHBondContact O-N 3.11Å
299	M	97.5	Very high	97.3	Very high	20 Å²	20	27.8 Å²	27.8	10%	0.099	14%	0.143	C	C	.	.	H	α-helix	trans	-51.3	-52.7	-176.6	-178.6	-172.8	69.6	0	0	113.8	L75 E76 A79 F295 Q301 F302 W303	L75-M299 HydrophobicContact CB-SD 3.98Å; E76-M299 HydrophobicContact CG-CE 4.45Å; E76-M299 HydrophobicContact CG-SD 4.4Å; A79-M299 HydrophobicContact CB-CE 3.44Å; A79-M299 VanDerWaalsContact CB-CE 3.44Å; A79-M299 HydrophobicContact CB-SD 4.13Å; F295-M299 HydrophobicContact CD2-CB 4.31Å; F295-M299 HydrophobicContact CE2-CB 3.95Å; F295-M299 HydrophobicContact CE2-CG 4.18Å; F295-M299 HydrophobicContact CE2-SD 3.91Å; F295-M299 HydrophobicContact CZ-SD 3.8Å; F295-M299 WeakPolarHBondContact O-CB 3.37Å; F295-M299 PolarHBondContact O-N 2.89Å; M299-Q301 VanDerWaalsContact C-N 3.28Å; M299-Q301 PolarHBondContact O-N 3.21Å; M299-F302 WeakPolarHBondContact O-CB 3.27Å; M299-F302 PolarHBondContact O-N 2.6Å; M299-W303 HydrophobicContact CG-CZ2 4.15Å; M299-W303 VanDerWaalsContact CG-NE1 3.26Å; M299-W303 VanDerWaalsContact O-CD1 3.25Å; M299-W303 PolarHBondContact O-N 2.91Å
300	P	97.6	Very high	97.4	Very high	69 Å²	69	27.8 Å²	27.8	45%	0.448	14%	0.143	S	C	.	.	H	α-helix	trans	-63.8	-33.7	178.4	24.4	-34.2	0	0	0	112.8	V296 F302 W303 E304	V296-P300 WeakPolarHBondContact O-CD 3.27Å; P300-F302 VanDerWaalsContact C-N 3.32Å; P300-W303 PolarHBondContact O-N 3.15Å; P300-E304 PolarHBondContact O-N 3.14Å; P300-E304 VanDerWaalsContact O-N 3.08Å
301	Q	97	Very high	97.5	Very high	29 Å²	29	27.8 Å²	27.8	14%	0.136	14%	0.143	C	C	.	.	H	α-helix	trans	-68.2	-35.2	177.1	-55.8	178.3	56.3	0	0	111.4	V209 K297 L298 M299 R305	V209-Q301 HydrophobicContact CG1-CB 4.05Å; K297-Q301 WeakPolarHBondContact O-CG 3.24Å; K297-Q301 PolarHBondContact O-NE2 3.41Å; L298-Q301 WeakPolarHBondContact O-CB 3.46Å; L298-Q301 PolarHBondContact O-N 2.99Å; M299-Q301 VanDerWaalsContact C-N 3.28Å; M299-Q301 PolarHBondContact O-N 3.21Å; Q301-R305 WeakPolarHBondContact O-CB 3.15Å; Q301-R305 WeakPolarHBondContact O-CG 3.26Å; Q301-R305 PolarHBondContact O-N 2.89Å; Q301-R305 VanDerWaalsContact O-N 3.12Å
302	F	97.3	Very high	97.5	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.009	14%	0.143	C	C	.	.	H	α-helix	trans	-61.8	-48.2	173.4	-179.2	-86.9	0	0	0	110.5	W200 T205 L298 M299 P300 E304 R305 F306 T311 F312 M315	W200-F302 HydrophobicContact CH2-CB 4.11Å; W200-F302 AromaticContact CH2-CD1 3.56Å; W200-F302 HydrophobicContact CH2-CD1 3.56Å; W200-F302 HydrophobicContact CH2-CD2 4.25Å; W200-F302 HydrophobicContact CH2-CE1 4.02Å; W200-F302 AromaticContact CH2-CG 3.7Å; W200-F302 HydrophobicContact CH2-CG 3.7Å; W200-F302 HydrophobicContact CZ2-CB 4.16Å; W200-F302 HydrophobicContact CZ2-CD1 4.36Å; W200-F302 HydrophobicContact CZ2-CD2 4.37Å; W200-F302 HydrophobicContact CZ2-CG 4.04Å; W200-F302 HydrophobicContact CZ3-CD1 4.39Å; W200-F302 HydrophobicContact CZ3-CE1 4.47Å; T205-F302 HydrophobicContact CG2-CB 4.04Å; T205-F302 HydrophobicContact CG2-CD2 3.96Å; T205-F302 HydrophobicContact CG2-CG 4.39Å; L298-F302 PolarHBondContact O-N 3.11Å; M299-F302 WeakPolarHBondContact O-CB 3.27Å; M299-F302 PolarHBondContact O-N 2.6Å; P300-F302 VanDerWaalsContact C-N 3.32Å; F302-E304 PolarHBondContact O-N 2.97Å; F302-R305 PolarHBondContact O-N 2.89Å; F302-F306 HydrophobicContact CB-CD2 4.41Å; F302-F306 HydrophobicContact CD1-CD2 4.34Å; F302-F306 AromaticContact CD2-CD2 3.31Å; F302-F306 HydrophobicContact CD2-CD2 3.31Å; F302-F306 AromaticContact CD2-CE2 3.74Å; F302-F306 HydrophobicContact CD2-CE2 3.74Å; F302-F306 HydrophobicContact CD2-CG 4.37Å; F302-F306 HydrophobicContact CE1-CB 4.29Å; F302-F306 HydrophobicContact CE1-CD2 4.46Å; F302-F306 HydrophobicContact CE2-CB 4.44Å; F302-F306 AromaticContact CE2-CD2 3.48Å; F302-F306 HydrophobicContact CE2-CD2 3.48Å; F302-F306 VanDerWaalsContact CE2-CD2 3.48Å; F302-F306 HydrophobicContact CE2-CE2 4.06Å; F302-F306 HydrophobicContact CE2-CG 4.18Å; F302-F306 AromaticContact CG-CD2 3.79Å; F302-F306 HydrophobicContact CG-CD2 3.79Å; F302-F306 HydrophobicContact CG-CE2 4.46Å; F302-F306 HydrophobicContact CZ-CB 4.2Å; F302-F306 HydrophobicContact CZ-CD2 4.07Å; F302-F306 HydrophobicContact CZ-CG 4.42Å; F302-F306 WeakPolarHBondContact O-CB 3.45Å; F302-F306 VanDerWaalsContact O-CD2 3.26Å; F302-F306 WeakPolarHBondContact O-CD2 3.46Å; F302-F306 PolarHBondContact O-N 3.3Å; F302-T311 HydrophobicContact CZ-CG2 4.42Å; F302-F312 HydrophobicContact CE1-CB 4.07Å; F302-F312 HydrophobicContact CE1-CD2 4.3Å; F302-F312 HydrophobicContact CE1-CG 4.48Å; F302-F312 HydrophobicContact CZ-CB 4.39Å; F302-M315 HydrophobicContact CE2-CE 4.28Å; F302-M315 HydrophobicContact CE2-SD 3.68Å; F302-M315 HydrophobicContact CZ-SD 3.9Å
303	W	97.1	Very high	97.5	Very high	51 Å²	51	27.7 Å²	27.7	19%	0.193	14%	0.142	C	C	.	.	H	α-helix	trans	-63.4	-37.3	179	-54.8	139.3	0	0	0	113.5	K72 W200 M299 P300 F312	K72-W303 HydrophobicContact CG-CH2 4.46Å; K72-W303 HydrophobicContact CG-CZ2 4.23Å; W200-W303 AromaticContact CH2-CH2 3.91Å; W200-W303 HydrophobicContact CH2-CH2 3.91Å; W200-W303 AromaticContact CH2-CZ2 3.93Å; W200-W303 HydrophobicContact CH2-CZ2 3.93Å; W200-W303 AromaticContact CZ3-CH2 3.68Å; W200-W303 HydrophobicContact CZ3-CH2 3.68Å; W200-W303 AromaticContact CZ3-CZ2 3.9Å; W200-W303 HydrophobicContact CZ3-CZ2 3.9Å; M299-W303 HydrophobicContact CG-CZ2 4.15Å; M299-W303 VanDerWaalsContact CG-NE1 3.26Å; M299-W303 VanDerWaalsContact O-CD1 3.25Å; M299-W303 PolarHBondContact O-N 2.91Å; P300-W303 PolarHBondContact O-N 3.15Å; W303-F312 HydrophobicContact CH2-CB 4.33Å; W303-F312 AromaticContact CH2-CD1 3.78Å; W303-F312 HydrophobicContact CH2-CD1 3.78Å; W303-F312 AromaticContact CH2-CD2 3.81Å; W303-F312 HydrophobicContact CH2-CD2 3.81Å; W303-F312 AromaticContact CH2-CE1 3.98Å; W303-F312 HydrophobicContact CH2-CE1 3.98Å; W303-F312 HydrophobicContact CH2-CE2 4.04Å; W303-F312 AromaticContact CH2-CG 3.68Å; W303-F312 HydrophobicContact CH2-CG 3.68Å; W303-F312 HydrophobicContact CH2-CZ 4.1Å; W303-F312 HydrophobicContact CZ3-CB 3.89Å; W303-F312 HydrophobicContact CZ3-CD1 4.05Å; W303-F312 HydrophobicContact CZ3-CD2 4.18Å; W303-F312 AromaticContact CZ3-CG 3.76Å; W303-F312 HydrophobicContact CZ3-CG 3.76Å
304	E	96.9	Very high	97.5	Very high	98 Å²	98	25.9 Å²	25.9	46%	0.458	13%	0.134	S	C	.	.	H	α-helix	trans	-64.8	-39.3	175.8	-169.8	-150.6	146.3	0	0	112.4	P300 F302 R703 R710	P300-E304 PolarHBondContact O-N 3.14Å; P300-E304 VanDerWaalsContact O-N 3.08Å; F302-E304 PolarHBondContact O-N 2.97Å; E304-R703 PolarHBondContact O-NH2 3.26Å; E304-R710 IonicContact OE1-NH1 2.72Å; E304-R710 PolarHBondContact OE1-NH1 3.29Å
305	R	96.7	Very high	97.4	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.015	14%	0.138	C	C	.	.	H	α-helix	trans	-88.5	-27.9	-174.8	-69.9	-159.5	172.8	-102.8	-17.4	114	Q301 F302 P307 R703 C709 R710 I711 E716	Q301-R305 WeakPolarHBondContact O-CB 3.15Å; Q301-R305 WeakPolarHBondContact O-CG 3.26Å; Q301-R305 PolarHBondContact O-N 2.89Å; Q301-R305 VanDerWaalsContact O-N 3.12Å; F302-R305 PolarHBondContact O-N 2.89Å; R305-P307 VanDerWaalsContact C-CD 3.47Å; R305-P307 WeakPolarHBondContact O-CD 3.32Å; R305-R703 PolarHBondContact O-NH1 3.35Å; R305-C709 WeakPolarHBondContact O-CA 3.37Å; R305-R710 HydrophobicContact CB-CB 4.15Å; R305-R710 HydrophobicContact CG-CB 4.25Å; R305-R710 VanDerWaalsContact NH1-CD 3.34Å; R305-R710 VanDerWaalsContact NH2-CZ 3.3Å; R305-R710 PolarHBondContact O-N 3.27Å; R305-I711 PolarHBondContact NH1-O 3.49Å; R305-E716 IonicContact CZ-OE1 3.44Å; R305-E716 VanDerWaalsContact CZ-OE1 3.29Å; R305-E716 IonicContact NH1-OE1 2.59Å; R305-E716 PolarHBondContact NH1-OE1 2.94Å; R305-E716 IonicContact NH2-OE1 2.77Å; R305-E716 PolarHBondContact NH2-OE1 3.05Å
306	F	97.5	Very high	97.4	Very high	1 Å²	1	27.1 Å²	27.1	0%	0.004	14%	0.14	C	C	.	.			trans	-126.4	69.7	-177.4	-47.1	-65	0	0	0	109.3	A208 V209 F302 H308 T311 C709	A208-F306 HydrophobicContact CB-CE2 3.97Å; A208-F306 HydrophobicContact CB-CZ 3.73Å; V209-F306 HydrophobicContact CG2-CE2 3.97Å; F302-F306 HydrophobicContact CB-CD2 4.41Å; F302-F306 HydrophobicContact CD1-CD2 4.34Å; F302-F306 AromaticContact CD2-CD2 3.31Å; F302-F306 HydrophobicContact CD2-CD2 3.31Å; F302-F306 AromaticContact CD2-CE2 3.74Å; F302-F306 HydrophobicContact CD2-CE2 3.74Å; F302-F306 HydrophobicContact CD2-CG 4.37Å; F302-F306 HydrophobicContact CE1-CB 4.29Å; F302-F306 HydrophobicContact CE1-CD2 4.46Å; F302-F306 HydrophobicContact CE2-CB 4.44Å; F302-F306 AromaticContact CE2-CD2 3.48Å; F302-F306 HydrophobicContact CE2-CD2 3.48Å; F302-F306 VanDerWaalsContact CE2-CD2 3.48Å; F302-F306 HydrophobicContact CE2-CE2 4.06Å; F302-F306 HydrophobicContact CE2-CG 4.18Å; F302-F306 AromaticContact CG-CD2 3.79Å; F302-F306 HydrophobicContact CG-CD2 3.79Å; F302-F306 HydrophobicContact CG-CE2 4.46Å; F302-F306 HydrophobicContact CZ-CB 4.2Å; F302-F306 HydrophobicContact CZ-CD2 4.07Å; F302-F306 HydrophobicContact CZ-CG 4.42Å; F302-F306 WeakPolarHBondContact O-CB 3.45Å; F302-F306 VanDerWaalsContact O-CD2 3.26Å; F302-F306 WeakPolarHBondContact O-CD2 3.46Å; F302-F306 PolarHBondContact O-N 3.3Å; F306-H308 VanDerWaalsContact C-N 3.29Å; F306-H308 PolarHBondContact O-N 3.48Å; F306-T311 HydrophobicContact CB-CG2 3.95Å; F306-T311 HydrophobicContact CD1-CG2 4.37Å; F306-T311 HydrophobicContact CG-CG2 4.23Å; F306-C709 HydrophobicContact CD1-CB 3.73Å; F306-C709 HydrophobicContact CE1-CB 4.1Å
307	P	97	Very high	97.3	Very high	71 Å²	71	25.5 Å²	25.5	46%	0.461	13%	0.129	S	C	.	.			trans	-69.7	-25.4	-169.7	28.1	-36.1	0	0	0	113.2	R305 Q708	R305-P307 VanDerWaalsContact C-CD 3.47Å; R305-P307 WeakPolarHBondContact O-CD 3.32Å; P307-Q708 HydrophobicContact CG-CB 4Å
308	H	98	Very high	97.2	Very high	26 Å²	26	20.5 Å²	20.5	12%	0.12	11%	0.108	C	C	.	.	S	Bend	trans	-80	127.6	-177.8	-159.6	-71.5	0	0	0	111.3	Q61 F306 V310 T311 L707	Q61-H308 PolarHBondContact OE1-NE2 3.31Å; F306-H308 VanDerWaalsContact C-N 3.29Å; F306-H308 PolarHBondContact O-N 3.48Å; H308-V310 WeakPolarHBondContact CE1-CG2 3.16Å; H308-V310 VanDerWaalsContact ND1-CB 3.35Å; H308-V310 WeakPolarHBondContact ND1-CB 3.23Å; H308-V310 WeakPolarHBondContact ND1-CG2 3.42Å; H308-V310 PolarHBondContact ND1-N 2.92Å; H308-V310 PolarHBondContact O-N 3.35Å; H308-V310 VanDerWaalsContact O-N 3.16Å; H308-T311 PolarHBondContact O-N 2.97Å; H308-T311 VanDerWaalsContact O-N 3.09Å; H308-L707 HydrophobicContact CB-CB 4.06Å; H308-L707 HydrophobicContact CB-CD2 4.16Å; H308-L707 WeakPolarHBondContact CB-O 3.32Å
309	P	97.9	Very high	97	Very high	18 Å²	18	21 Å²	21	12%	0.117	11%	0.113	C	C	.	.	H	α-helix	trans	-62.1	-27.1	-175.4	24.9	-36.5	0	0	0	113.7	Q61 A64 E65 T311 F312 M313	Q61-P309 HydrophobicContact CG-CG 4.48Å; A64-P309 HydrophobicContact CB-CB 3.85Å; A64-P309 HydrophobicContact CB-CG 3.84Å; E65-P309 HydrophobicContact CG-CB 4.11Å; E65-P309 HydrophobicContact CG-CG 3.9Å; P309-T311 PolarHBondContact O-N 3.45Å; P309-F312 PolarHBondContact O-N 2.89Å; P309-F312 VanDerWaalsContact O-N 3.14Å; P309-M313 PolarHBondContact O-N 3.5Å
310	V	98.4	Very high	96.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-53.1	-39.9	173.7	169.6	0	0	0	0	112.1	F60 A64 H308 F312 G314 L707 H738 V739 V742	F60-V310 HydrophobicContact CB-CG2 4.32Å; F60-V310 WeakPolarHBondContact O-CG2 3.41Å; A64-V310 HydrophobicContact CB-CB 4.35Å; A64-V310 HydrophobicContact CB-CG2 3.6Å; H308-V310 WeakPolarHBondContact CE1-CG2 3.16Å; H308-V310 VanDerWaalsContact ND1-CB 3.35Å; H308-V310 WeakPolarHBondContact ND1-CB 3.23Å; H308-V310 WeakPolarHBondContact ND1-CG2 3.42Å; H308-V310 PolarHBondContact ND1-N 2.92Å; H308-V310 PolarHBondContact O-N 3.35Å; H308-V310 VanDerWaalsContact O-N 3.16Å; V310-F312 VanDerWaalsContact C-N 3.35Å; V310-F312 PolarHBondContact O-N 2.96Å; V310-G314 WeakPolarHBondContact O-CA 3.37Å; V310-G314 PolarHBondContact O-N 2.79Å; V310-L707 HydrophobicContact CB-CD1 4.18Å; V310-L707 HydrophobicContact CB-CD2 4.09Å; V310-L707 HydrophobicContact CG1-CD1 3.76Å; V310-L707 HydrophobicContact CG1-CD2 4.21Å; V310-H738 HydrophobicContact CG1-CB 3.81Å; V310-V739 HydrophobicContact CG1-CB 4.41Å; V310-V739 HydrophobicContact CG1-CG2 3.82Å; V310-V742 HydrophobicContact CG1-CG2 4.12Å; V310-V742 HydrophobicContact CG2-CG1 4.48Å
311	T	98.2	Very high	96.7	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-64.1	-43.5	179.8	-64.5	0	0	0	0	111.2	F302 F306 H308 P309 M315 L707 C709	F302-T311 HydrophobicContact CZ-CG2 4.42Å; F306-T311 HydrophobicContact CB-CG2 3.95Å; F306-T311 HydrophobicContact CD1-CG2 4.37Å; F306-T311 HydrophobicContact CG-CG2 4.23Å; H308-T311 PolarHBondContact O-N 2.97Å; H308-T311 VanDerWaalsContact O-N 3.09Å; P309-T311 PolarHBondContact O-N 3.45Å; T311-M315 HydrophobicContact CG2-SD 4.29Å; T311-M315 VanDerWaalsContact O-CG 3.29Å; T311-M315 WeakPolarHBondContact O-CG 3.32Å; T311-M315 PolarHBondContact O-N 3.08Å; T311-L707 WeakPolarHBondContact OG1-CD1 3.19Å; T311-C709 PolarHBondContact OG1-SG 2.87Å
312	F	98.1	Very high	96.5	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.018	8%	0.082	C	C	.	.	H	α-helix	trans	-63.6	-52.4	177.6	176.3	-134.4	0	0	0	111.7	K72 L75 W200 F302 W303 P309 V310 G314 M315 L316	K72-F312 HydrophobicContact CB-CE1 4.02Å; L75-F312 HydrophobicContact CD1-CE2 4.13Å; L75-F312 HydrophobicContact CD1-CZ 3.73Å; W200-F312 HydrophobicContact CE3-CD2 4.2Å; W200-F312 AromaticContact CE3-CE2 3.49Å; W200-F312 HydrophobicContact CE3-CE2 3.49Å; W200-F312 VanDerWaalsContact CE3-CE2 3.49Å; W200-F312 HydrophobicContact CE3-CZ 4.29Å; W200-F312 AromaticContact CZ3-CD2 3.64Å; W200-F312 HydrophobicContact CZ3-CD2 3.64Å; W200-F312 AromaticContact CZ3-CE2 3.28Å; W200-F312 HydrophobicContact CZ3-CE2 3.28Å; W200-F312 HydrophobicContact CZ3-CZ 4.1Å; F302-F312 HydrophobicContact CE1-CB 4.07Å; F302-F312 HydrophobicContact CE1-CD2 4.3Å; F302-F312 HydrophobicContact CE1-CG 4.48Å; F302-F312 HydrophobicContact CZ-CB 4.39Å; W303-F312 HydrophobicContact CH2-CB 4.33Å; W303-F312 AromaticContact CH2-CD1 3.78Å; W303-F312 HydrophobicContact CH2-CD1 3.78Å; W303-F312 AromaticContact CH2-CD2 3.81Å; W303-F312 HydrophobicContact CH2-CD2 3.81Å; W303-F312 AromaticContact CH2-CE1 3.98Å; W303-F312 HydrophobicContact CH2-CE1 3.98Å; W303-F312 HydrophobicContact CH2-CE2 4.04Å; W303-F312 AromaticContact CH2-CG 3.68Å; W303-F312 HydrophobicContact CH2-CG 3.68Å; W303-F312 HydrophobicContact CH2-CZ 4.1Å; W303-F312 HydrophobicContact CZ3-CB 3.89Å; W303-F312 HydrophobicContact CZ3-CD1 4.05Å; W303-F312 HydrophobicContact CZ3-CD2 4.18Å; W303-F312 AromaticContact CZ3-CG 3.76Å; W303-F312 HydrophobicContact CZ3-CG 3.76Å; P309-F312 PolarHBondContact O-N 2.89Å; P309-F312 VanDerWaalsContact O-N 3.14Å; V310-F312 VanDerWaalsContact C-N 3.35Å; V310-F312 PolarHBondContact O-N 2.96Å; F312-G314 VanDerWaalsContact C-N 3.33Å; F312-G314 PolarHBondContact O-N 3.08Å; F312-M315 PolarHBondContact O-N 3.37Å; F312-L316 HydrophobicContact CD2-CD1 4.41Å; F312-L316 HydrophobicContact CD2-CD2 4.45Å; F312-L316 HydrophobicContact CD2-CG 4.12Å; F312-L316 HydrophobicContact CE1-CD1 4.07Å; F312-L316 HydrophobicContact CE2-CD1 3.73Å; F312-L316 HydrophobicContact CE2-CD2 3.75Å; F312-L316 HydrophobicContact CE2-CG 3.69Å; F312-L316 HydrophobicContact CZ-CD1 3.57Å; F312-L316 HydrophobicContact CZ-CD2 4.31Å; F312-L316 HydrophobicContact CZ-CG 4.08Å; F312-L316 WeakPolarHBondContact O-CG 3.41Å; F312-L316 PolarHBondContact O-N 2.78Å
313	M	97.5	Very high	96.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-64	-39.1	-179.3	-169.4	63.5	-132.8	0	0	112.3	P309 M315 L316 E317 V742	P309-M313 PolarHBondContact O-N 3.5Å; M313-M315 PolarHBondContact O-N 2.73Å; M313-L316 HydrophobicContact CE-CB 4.31Å; M313-L316 PolarHBondContact O-N 3.39Å; M313-E317 HydrophobicContact CE-CG 3.67Å; M313-E317 WeakPolarHBondContact CE-OE1 3.28Å; M313-E317 PolarHBondContact O-N 2.66Å; M313-V742 HydrophobicContact CB-CG2 3.77Å; M313-V742 HydrophobicContact CG-CG2 3.87Å
314	G	97.1	Very high	96.1	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61.3	-42.4	176.4	0	0	0	0	0	112.2	V310 F312 E317 M318 L741	V310-G314 WeakPolarHBondContact O-CA 3.37Å; V310-G314 PolarHBondContact O-N 2.79Å; F312-G314 VanDerWaalsContact C-N 3.33Å; F312-G314 PolarHBondContact O-N 3.08Å; G314-E317 PolarHBondContact O-N 2.93Å; G314-M318 VanDerWaalsContact O-CB 3.27Å; G314-M318 WeakPolarHBondContact O-CB 3.21Å; G314-M318 PolarHBondContact O-N 2.88Å; G314-L741 WeakPolarHBondContact O-CD1 3.39Å
315	M	97	Very high	95.6	Very high	20 Å²	20	9.3 Å²	9.3	10%	0.099	6%	0.055	C	C	.	.	H	α-helix	trans	-64.2	-42	173.6	-72.4	179.3	68.4	0	0	112.1	F302 T311 F312 M313 E317 M318 G319 C483 A484	F302-M315 HydrophobicContact CE2-CE 4.28Å; F302-M315 HydrophobicContact CE2-SD 3.68Å; F302-M315 HydrophobicContact CZ-SD 3.9Å; T311-M315 HydrophobicContact CG2-SD 4.29Å; T311-M315 VanDerWaalsContact O-CG 3.29Å; T311-M315 WeakPolarHBondContact O-CG 3.32Å; T311-M315 PolarHBondContact O-N 3.08Å; F312-M315 PolarHBondContact O-N 3.37Å; M313-M315 PolarHBondContact O-N 2.73Å; M315-E317 PolarHBondContact O-N 3.46Å; M315-M318 PolarHBondContact O-N 2.97Å; M315-G319 PolarHBondContact O-N 3.18Å; M315-C483 HydrophobicContact CB-CB 4.43Å; M315-C483 HydrophobicContact CE-CB 4.1Å; M315-C483 HydrophobicContact CG-CB 4.49Å; M315-C483 PolarHBondContact O-SG 3.16Å; M315-C483 VanDerWaalsContact O-SG 3.35Å; M315-A484 HydrophobicContact CE-CB 4.07Å
316	L	97.1	Very high	94.9	Very high	5 Å²	5	10.9 Å²	10.9	3%	0.026	6%	0.064	C	C	.	.	H	α-helix	trans	-61.6	-43.4	177.1	-69.6	-169	0	0	0	112.2	Y71 I173 R198 F199 F312 M313	Y71-L316 HydrophobicContact CD2-CD1 3.87Å; Y71-L316 HydrophobicContact CG-CD1 3.93Å; I173-L316 HydrophobicContact CD1-CD2 4.31Å; R198-L316 HydrophobicContact CB-CB 4.42Å; R198-L316 HydrophobicContact CB-CD1 4.19Å; R198-L316 HydrophobicContact CB-CD2 4.2Å; R198-L316 WeakPolarHBondContact CD-O 3.23Å; R198-L316 HydrophobicContact CG-CB 4.3Å; R198-L316 HydrophobicContact CG-CD1 4.31Å; F199-L316 VanDerWaalsContact O-CD2 3.27Å; F199-L316 WeakPolarHBondContact O-CD2 3.16Å; F312-L316 HydrophobicContact CD2-CD1 4.41Å; F312-L316 HydrophobicContact CD2-CD2 4.45Å; F312-L316 HydrophobicContact CD2-CG 4.12Å; F312-L316 HydrophobicContact CE1-CD1 4.07Å; F312-L316 HydrophobicContact CE2-CD1 3.73Å; F312-L316 HydrophobicContact CE2-CD2 3.75Å; F312-L316 HydrophobicContact CE2-CG 3.69Å; F312-L316 HydrophobicContact CZ-CD1 3.57Å; F312-L316 HydrophobicContact CZ-CD2 4.31Å; F312-L316 HydrophobicContact CZ-CG 4.08Å; F312-L316 WeakPolarHBondContact O-CG 3.41Å; F312-L316 PolarHBondContact O-N 2.78Å; M313-L316 HydrophobicContact CE-CB 4.31Å; M313-L316 PolarHBondContact O-N 3.39Å
317	E	95.7	Very high	93.9	Very high	10 Å²	10	18.4 Å²	18.4	5%	0.047	10%	0.097	C	C	.	.	H	α-helix	trans	-64.5	-47.7	175.3	-77.5	-55.9	132.1	0	0	111.7	R198 M313 G314 M315 G319 T320 L741 R745	R198-E317 IonicContact CZ-OE1 3.14Å; R198-E317 IonicContact NE-OE1 3.44Å; R198-E317 PolarHBondContact NE-OE1 2.74Å; R198-E317 IonicContact NH2-OE1 2.66Å; R198-E317 PolarHBondContact NH2-OE1 3.1Å; R198-E317 IonicContact NH2-OE2 3.2Å; M313-E317 HydrophobicContact CE-CG 3.67Å; M313-E317 WeakPolarHBondContact CE-OE1 3.28Å; M313-E317 PolarHBondContact O-N 2.66Å; G314-E317 PolarHBondContact O-N 2.93Å; M315-E317 PolarHBondContact O-N 3.46Å; E317-G319 PolarHBondContact O-N 3.31Å; E317-T320 PolarHBondContact O-N 2.76Å; E317-T320 PolarHBondContact O-OG1 2.89Å; E317-L741 HydrophobicContact CB-CB 4.28Å; E317-L741 HydrophobicContact CB-CD1 4.24Å; E317-R745 WeakPolarHBondContact OE1-CD 3.28Å; E317-R745 IonicContact OE1-CZ 3.58Å; E317-R745 IonicContact OE1-NE 3.65Å; E317-R745 PolarHBondContact OE1-NE 2.52Å; E317-R745 IonicContact OE1-NH1 2.87Å; E317-R745 PolarHBondContact OE1-NH1 3.24Å; E317-R745 IonicContact OE2-NH1 2.77Å
318	M	94.3	Very high	93	Very high	3 Å²	3	17.5 Å²	17.5	2%	0.015	9%	0.088	C	C	.	.	H	α-helix	trans	-59.7	-34.4	-178.1	-173.5	164.2	55.8	0	0	112.4	G314 M315 T320 V481 C483 A491 L737 L741 F757	G314-M318 VanDerWaalsContact O-CB 3.27Å; G314-M318 WeakPolarHBondContact O-CB 3.21Å; G314-M318 PolarHBondContact O-N 2.88Å; M315-M318 PolarHBondContact O-N 2.97Å; M318-T320 PolarHBondContact O-N 3.16Å; M318-V481 HydrophobicContact CG-CG1 4.43Å; M318-C483 HydrophobicContact CE-CB 3.73Å; M318-C483 WeakPolarHBondContact CE-O 3.46Å; M318-A491 HydrophobicContact CE-CB 4.07Å; M318-A491 HydrophobicContact CG-CB 4.42Å; M318-A491 HydrophobicContact SD-CB 3.59Å; M318-A491 VanDerWaalsContact SD-CB 3.59Å; M318-L737 HydrophobicContact SD-CD2 3.94Å; M318-L741 HydrophobicContact CB-CD1 3.96Å; M318-F757 HydrophobicContact CG-CE1 4.49Å
319	G	93.8	Very high	92.1	Very high	11 Å²	11	16.8 Å²	16.8	11%	0.113	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-9.6	176.3	0	0	0	0	0	114.9	R183 M315 E317 C483	R183-G319 VanDerWaalsContact CD-O 3.24Å; R183-G319 WeakPolarHBondContact CD-O 3.45Å; R183-G319 VanDerWaalsContact CZ-O 3.28Å; R183-G319 PolarHBondContact NE-O 2.82Å; M315-G319 PolarHBondContact O-N 3.18Å; E317-G319 PolarHBondContact O-N 3.31Å; G319-C483 WeakPolarHBondContact CA-SG 3.42Å; G319-C483 PolarHBondContact N-SG 3.24Å; G319-C483 VanDerWaalsContact N-SG 3.38Å
320	T	93.5	Very high	91.1	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.012	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	14.7	-177.9	66.3	0	0	0	0	114.8	R183 E317 M318	R183-T320 PolarHBondContact NH2-O 3.38Å; E317-T320 PolarHBondContact O-N 2.76Å; E317-T320 PolarHBondContact O-OG1 2.89Å; M318-T320 PolarHBondContact O-N 3.16Å
321	S	94	Very high	90	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.007	12%	0.117	C	C	.	.			trans	-45.6	140	179.1	62.3	0	0	0	0	113.1	R183 V481 S758	R183-S321 PolarHBondContact NH1-O 2.97Å; R183-S321 VanDerWaalsContact NH1-O 3.1Å; R183-S321 PolarHBondContact NH2-O 3.01Å; S321-V481 VanDerWaalsContact OG-CG2 3.3Å; S321-V481 WeakPolarHBondContact OG-CG2 3.25Å; S321-S758 CarbonylContact C-O 3.59Å; S321-S758 VanDerWaalsContact CA-O 3.25Å; S321-S758 WeakPolarHBondContact CA-O 3.42Å; S321-S758 VanDerWaalsContact CB-O 3.28Å; S321-S758 WeakPolarHBondContact CB-O 3.41Å
322	Y	94	Very high	88.9	Confident	4 Å²	4	25.4 Å²	25.4	2%	0.016	12%	0.121	C	C	.	.			trans	-148.1	126.9	-171.9	176.5	-93.1	0	0	0	110.8	I192 P324 S476 M478 S758 L768	I192-Y322 WeakPolarHBondContact CG1-OH 3.42Å; Y322-P324 HydrophobicContact CE1-CB 3.91Å; Y322-P324 HydrophobicContact CE1-CG 4.13Å; Y322-S476 PolarHBondContact OH-OG 3.3Å; Y322-M478 HydrophobicContact CD2-CE 3.94Å; Y322-M478 HydrophobicContact CD2-SD 4.33Å; Y322-M478 HydrophobicContact CE2-CE 4.34Å; Y322-S758 PolarHBondContact N-O 3.28Å; Y322-S758 VanDerWaalsContact O-CA 3.27Å; Y322-S758 WeakPolarHBondContact O-CA 3.48Å; Y322-S758 WeakPolarHBondContact O-CB 3.43Å; Y322-S758 PolarHBondContact O-OG 2.94Å; Y322-L768 HydrophobicContact CD1-CD2 4.09Å; Y322-L768 HydrophobicContact CE1-CD2 3.82Å
323	L	92.9	Very high	87.7	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	103.3	-179.2	-62.4	179.3	0	0	0	110.3	V477 P479 W496 I517 I759 L817	L323-V477 HydrophobicContact CB-CB 4.12Å; L323-V477 PolarHBondContact N-O 3.06Å; L323-V477 PolarHBondContact O-N 3.02Å; L323-P479 HydrophobicContact CD1-CG 3.61Å; L323-P479 HydrophobicContact CG-CG 3.79Å; L323-W496 HydrophobicContact CD1-CB 4.1Å; L323-W496 HydrophobicContact CD1-CD2 3.27Å; L323-W496 HydrophobicContact CD1-CE3 3.59Å; L323-W496 HydrophobicContact CD1-CG 3.49Å; L323-W496 VanDerWaalsContact CD1-CG 3.49Å; L323-W496 HydrophobicContact CD1-CZ2 4.28Å; L323-W496 HydrophobicContact CD1-CZ3 4.22Å; L323-I517 HydrophobicContact CB-CD1 3.96Å; L323-I517 HydrophobicContact CB-CG1 4.4Å; L323-I517 HydrophobicContact CB-CG2 4.12Å; L323-I517 HydrophobicContact CD1-CD1 4.49Å; L323-I517 HydrophobicContact CD1-CG1 4.5Å; L323-I517 HydrophobicContact CD2-CG2 4.16Å; L323-I759 HydrophobicContact CD1-CD1 4.34Å; L323-I759 HydrophobicContact CD2-CB 4.01Å; L323-I759 HydrophobicContact CD2-CG2 3.88Å; L323-L817 HydrophobicContact CD2-CD2 4.32Å
324	P	91.6	Very high	86.7	Confident	3 Å²	3	30.6 Å²	30.6	2%	0.019	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	149.5	175	31.1	-35.4	0	0	0	111.6	Y322 I517 K518 F525 L768	Y322-P324 HydrophobicContact CE1-CB 3.91Å; Y322-P324 HydrophobicContact CE1-CG 4.13Å; P324-I517 CarbonylContact O-C 3.52Å; P324-I517 WeakPolarHBondContact O-CA 3.44Å; P324-I517 WeakPolarHBondContact O-CG2 3.16Å; P324-K518 CarbonylContact C-O 3.5Å; P324-K518 WeakPolarHBondContact CB-O 3.33Å; P324-K518 WeakPolarHBondContact CG-O 3.33Å; P324-K518 PolarHBondContact O-N 3.34Å; P324-F525 HydrophobicContact CG-CE1 4.18Å; P324-F525 HydrophobicContact CG-CZ 3.64Å; P324-L768 HydrophobicContact CG-CD1 4.16Å; P324-L768 HydrophobicContact CG-CD2 4.01Å
325	T	88	Confident	85.5	Confident	12 Å²	12	32.5 Å²	32.5	7%	0.074	18%	0.175	C	C	.	.			trans	-142.3	-169.7	175.5	-170	0	0	0	0	109.8	W329 C475 V477 L516	T325-W329 HydrophobicContact CG2-CB 4.3Å; T325-C475 CarbonylContact C-O 3.48Å; T325-C475 VanDerWaalsContact C-O 3.27Å; T325-C475 WeakPolarHBondContact CA-O 3.28Å; T325-C475 VanDerWaalsContact CG2-C 3.49Å; T325-C475 VanDerWaalsContact CG2-O 3.28Å; T325-C475 WeakPolarHBondContact CG2-O 3.3Å; T325-C475 PolarHBondContact N-O 3.5Å; T325-C475 WeakPolarHBondContact O-CB 3.38Å; T325-V477 HydrophobicContact CG2-CG2 4.12Å; T325-L516 WeakPolarHBondContact CB-O 3.47Å; T325-L516 PolarHBondContact OG1-O 3.15Å
326	D	81.9	Confident	84.3	Confident	38 Å²	38	32.7 Å²	32.7	20%	0.203	18%	0.178	C	C	.	.			trans	-132.1	-173.7	178.4	66.5	19.8	0	0	0	110.7	N328 W329 K518	D326-N328 VanDerWaalsContact CG-ND2 3.29Å; D326-N328 PolarHBondContact O-N 3.02Å; D326-N328 WeakPolarHBondContact OD1-CA 3.4Å; D326-N328 WeakPolarHBondContact OD1-CB 3.39Å; D326-N328 PolarHBondContact OD1-N 3.04Å; D326-N328 PolarHBondContact OD1-ND2 3.05Å; D326-N328 PolarHBondContact OD2-ND2 2.82Å; D326-W329 WeakPolarHBondContact O-CB 3.48Å; D326-W329 PolarHBondContact O-N 2.84Å; D326-K518 WeakPolarHBondContact OD2-CD 3.41Å; D326-K518 IonicContact OD2-NZ 3.11Å; D326-K518 PolarHBondContact OD2-NZ 3.29Å
327	K	77	Confident	83.2	Confident	159 Å²	159	36.6 Å²	36.6	69%	0.691	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-19.5	178.1	-64.2	179.9	-178.3	177.2	0	112.9	W329 F330 H331	K327-W329 PolarHBondContact O-N 3.07Å; K327-F330 PolarHBondContact O-N 2.98Å; K327-H331 PolarHBondContact O-CD2 3.24Å
328	N	77.8	Confident	82.3	Confident	52 Å²	52	43.9 Å²	43.9	28%	0.278	23%	0.231	S	C	.	.	H	α-helix	trans	-66.7	-20.4	179.5	-55.7	-44.3	0	0	0	111.6	D326 F330 H331 Y332	D326-N328 VanDerWaalsContact CG-ND2 3.29Å; D326-N328 PolarHBondContact O-N 3.02Å; D326-N328 WeakPolarHBondContact OD1-CA 3.4Å; D326-N328 WeakPolarHBondContact OD1-CB 3.39Å; D326-N328 PolarHBondContact OD1-N 3.04Å; D326-N328 PolarHBondContact OD1-ND2 3.05Å; D326-N328 PolarHBondContact OD2-ND2 2.82Å; N328-F330 PolarHBondContact O-N 2.79Å; N328-H331 PolarHBondContact O-N 2.86Å; N328-H331 VanDerWaalsContact O-N 3.15Å; N328-Y332 WeakPolarHBondContact O-CB 3.48Å; N328-Y332 PolarHBondContact O-N 3.24Å
329	W	77.8	Confident	81.4	Confident	11 Å²	11	46.3 Å²	46.3	4%	0.042	25%	0.248	C	C	.	.	H	α-helix	trans	-48.6	-48.6	170.7	-175.8	-82.2	0	0	0	112.5	T325 D326 K327 H331 Y332 V333 F468 I470 V477 W496 L513 L516 I517	T325-W329 HydrophobicContact CG2-CB 4.3Å; D326-W329 WeakPolarHBondContact O-CB 3.48Å; D326-W329 PolarHBondContact O-N 2.84Å; K327-W329 PolarHBondContact O-N 3.07Å; W329-H331 VanDerWaalsContact C-N 3.35Å; W329-Y332 PolarHBondContact O-N 3.47Å; W329-V333 HydrophobicContact CZ2-CG2 4.5Å; W329-V333 WeakPolarHBondContact O-CG2 3.45Å; W329-V333 PolarHBondContact O-N 3Å; W329-F468 AromaticContact CZ2-CE2 3.95Å; W329-F468 HydrophobicContact CZ2-CE2 3.95Å; W329-F468 HydrophobicContact CZ2-CZ 4.23Å; W329-I470 HydrophobicContact CD2-CD1 3.69Å; W329-I470 HydrophobicContact CG-CD1 4.01Å; W329-I470 HydrophobicContact CH2-CD1 4.25Å; W329-I470 HydrophobicContact CZ2-CD1 3.36Å; W329-V477 HydrophobicContact CZ3-CG2 4.48Å; W329-W496 AromaticContact CH2-CH2 3.5Å; W329-W496 HydrophobicContact CH2-CH2 3.5Å; W329-W496 AromaticContact CH2-CZ2 3.57Å; W329-W496 HydrophobicContact CH2-CZ2 3.57Å; W329-W496 AromaticContact CZ3-CH2 3.59Å; W329-W496 HydrophobicContact CZ3-CH2 3.59Å; W329-W496 HydrophobicContact CZ3-CZ2 4.01Å; W329-L513 HydrophobicContact CH2-CD1 3.55Å; W329-L513 HydrophobicContact CH2-CD2 4.39Å; W329-L513 HydrophobicContact CH2-CG 3.96Å; W329-L513 HydrophobicContact CZ2-CD1 4.16Å; W329-L513 HydrophobicContact CZ3-CD1 4.1Å; W329-L513 HydrophobicContact CZ3-CG 4.4Å; W329-L516 HydrophobicContact CD2-CD1 4.45Å; W329-L516 HydrophobicContact CE3-CB 3.68Å; W329-L516 HydrophobicContact CE3-CD1 3.82Å; W329-L516 HydrophobicContact CE3-CG 4.41Å; W329-L516 HydrophobicContact CZ3-CB 3.81Å; W329-L516 HydrophobicContact CZ3-CD1 3.82Å; W329-I517 HydrophobicContact CZ3-CD1 4.16Å
330	F	76.4	Confident	80.4	Confident	55 Å²	55	51.6 Å²	51.6	24%	0.241	27%	0.265	C	S	.	.	H	α-helix	trans	-71.8	-33.2	-176	-55.8	-71	0	0	0	112	K327 N328 A334 I470 R472	K327-F330 PolarHBondContact O-N 2.98Å; N328-F330 PolarHBondContact O-N 2.79Å; F330-A334 WeakPolarHBondContact O-CB 3.47Å; F330-A334 PolarHBondContact O-N 2.89Å; F330-A334 VanDerWaalsContact O-N 3.09Å; F330-I470 HydrophobicContact CE1-CG2 4.22Å; F330-I470 HydrophobicContact CZ-CG2 3.84Å; F330-R472 HydrophobicContact CD1-CG 4.4Å; F330-R472 HydrophobicContact CD2-CG 4.46Å; F330-R472 HydrophobicContact CE1-CG 3.54Å; F330-R472 HydrophobicContact CE2-CG 3.63Å; F330-R472 HydrophobicContact CZ-CB 4.16Å; F330-R472 HydrophobicContact CZ-CG 3.11Å
331	H	76.6	Confident	79.6	Confident	122 Å²	122	57.7 Å²	57.7	57%	0.565	29%	0.292	S	S	*	.	H	α-helix	trans	-67	-44.3	173.1	-68.6	-71.5	0	0	0	111.1	K327 N328 W329 A334 A335	K327-H331 PolarHBondContact O-CD2 3.24Å; N328-H331 PolarHBondContact O-N 2.86Å; N328-H331 VanDerWaalsContact O-N 3.15Å; W329-H331 VanDerWaalsContact C-N 3.35Å; H331-A334 PolarHBondContact O-N 2.91Å; H331-A335 WeakPolarHBondContact O-CB 3.12Å; H331-A335 PolarHBondContact O-N 2.9Å
332	Y	75	Confident	78.7	Confident	21 Å²	21	62 Å²	62	8%	0.082	31%	0.314	C	S	.	.	H	α-helix	trans	-61.5	-46.9	177.4	179.1	-91	0	0	0	112.2	N328 W329 A334 A335 C336 G510 E512 L513 L516 P827	N328-Y332 WeakPolarHBondContact O-CB 3.48Å; N328-Y332 PolarHBondContact O-N 3.24Å; W329-Y332 PolarHBondContact O-N 3.47Å; Y332-A334 VanDerWaalsContact C-N 3.35Å; Y332-A334 PolarHBondContact O-N 3.41Å; Y332-A335 PolarHBondContact O-N 3.27Å; Y332-C336 WeakPolarHBondContact CE1-SG 3.32Å; Y332-C336 WeakPolarHBondContact O-CB 3.3Å; Y332-C336 PolarHBondContact O-N 2.89Å; Y332-C336 PolarHBondContact O-SG 3.28Å; Y332-G510 VanDerWaalsContact OH-CA 3.32Å; Y332-G510 WeakPolarHBondContact OH-CA 3.33Å; Y332-G510 PolarHBondContact OH-N 3.34Å; Y332-E512 HydrophobicContact CE2-CB 4.2Å; Y332-L513 HydrophobicContact CE1-CD1 4.07Å; Y332-L516 HydrophobicContact CD1-CD1 3.19Å; Y332-L516 HydrophobicContact CD1-CG 4.36Å; Y332-L516 HydrophobicContact CD2-CD1 3.99Å; Y332-L516 HydrophobicContact CD2-CD2 3.93Å; Y332-L516 HydrophobicContact CD2-CG 4.37Å; Y332-L516 HydrophobicContact CE1-CD1 3.61Å; Y332-L516 HydrophobicContact CE2-CD1 4.34Å; Y332-L516 HydrophobicContact CG-CD1 3.38Å; Y332-L516 HydrophobicContact CG-CD2 3.82Å; Y332-L516 HydrophobicContact CG-CG 4.14Å; Y332-P827 HydrophobicContact CD2-CB 4.44Å
333	V	73.6	Confident	77.7	Confident	54 Å²	54	65.9 Å²	65.9	33%	0.327	34%	0.335	S	S	.	.	H	α-helix	trans	-61	-46.3	177.2	172.5	0	0	0	0	110.4	W329 A335 C336 D337	W329-V333 HydrophobicContact CZ2-CG2 4.5Å; W329-V333 WeakPolarHBondContact O-CG2 3.45Å; W329-V333 PolarHBondContact O-N 3Å; V333-A335 VanDerWaalsContact C-N 3.3Å; V333-A335 PolarHBondContact O-N 3.16Å; V333-C336 PolarHBondContact O-N 2.85Å; V333-D337 PolarHBondContact O-N 3.49Å
334	A	74.9	Confident	76.7	Confident	59 Å²	59	70.7 Å²	70.7	49%	0.488	36%	0.357	S	S	.	.	H	α-helix	trans	-62.1	-37.4	177	0	0	0	0	0	112.5	F330 H331 Y332 K338	F330-A334 WeakPolarHBondContact O-CB 3.47Å; F330-A334 PolarHBondContact O-N 2.89Å; F330-A334 VanDerWaalsContact O-N 3.09Å; H331-A334 PolarHBondContact O-N 2.91Å; Y332-A334 VanDerWaalsContact C-N 3.35Å; Y332-A334 PolarHBondContact O-N 3.41Å; A334-K338 VanDerWaalsContact O-CB 3.32Å; A334-K338 WeakPolarHBondContact O-CB 3.4Å; A334-K338 PolarHBondContact O-N 3.02Å
335	A	73.7	Confident	75.8	Confident	41 Å²	41	76.5 Å²	76.5	34%	0.339	38%	0.384	S	S	.	.	H	α-helix	trans	-67	-42.4	175.2	0	0	0	0	0	111.7	H331 Y332 V333 K338 S339	H331-A335 WeakPolarHBondContact O-CB 3.12Å; H331-A335 PolarHBondContact O-N 2.9Å; Y332-A335 PolarHBondContact O-N 3.27Å; V333-A335 VanDerWaalsContact C-N 3.3Å; V333-A335 PolarHBondContact O-N 3.16Å; A335-K338 PolarHBondContact O-N 3.06Å; A335-S339 PolarHBondContact O-N 2.89Å; A335-S339 PolarHBondContact O-OG 2.81Å
336	C	71	Confident	75.1	Confident	24 Å²	24	81.4 Å²	81.4	16%	0.162	41%	0.406	C	S	.	.	H	α-helix	trans	-62.8	-45.7	175.2	-70.1	0	0	0	0	111.6	Y332 V333 K338 S339 Y340 I509	Y332-C336 WeakPolarHBondContact CE1-SG 3.32Å; Y332-C336 WeakPolarHBondContact O-CB 3.3Å; Y332-C336 PolarHBondContact O-N 2.89Å; Y332-C336 PolarHBondContact O-SG 3.28Å; V333-C336 PolarHBondContact O-N 2.85Å; C336-K338 VanDerWaalsContact C-N 3.29Å; C336-K338 PolarHBondContact O-N 2.84Å; C336-S339 PolarHBondContact O-N 3.05Å; C336-Y340 WeakPolarHBondContact O-CB 3.42Å; C336-Y340 PolarHBondContact O-N 3.01Å; C336-I509 HydrophobicContact CB-CG2 3.93Å
337	D	73.9	Confident	74.4	Confident	87 Å²	87	83.5 Å²	83.5	47%	0.465	42%	0.421	S	S	.	.	H	α-helix	trans	-61.5	-39.8	176.1	-76.3	-18.8	0	0	0	111.4	V333 Y340 K341	V333-D337 PolarHBondContact O-N 3.49Å; D337-Y340 PolarHBondContact O-N 2.99Å; D337-K341 WeakPolarHBondContact O-CB 3.13Å; D337-K341 VanDerWaalsContact O-CG 3.26Å; D337-K341 WeakPolarHBondContact O-CG 3.21Å; D337-K341 PolarHBondContact O-N 3.35Å
338	K	77.1	Confident	73.9	Confident	162 Å²	162	79.3 Å²	79.3	70%	0.704	40%	0.403	S	S	*	.	H	α-helix	trans	-63.5	-48.2	175.1	-175.1	-179	178.5	-177.1	0	111.4	A334 A335 C336 Y340 K341 L342	A334-K338 VanDerWaalsContact O-CB 3.32Å; A334-K338 WeakPolarHBondContact O-CB 3.4Å; A334-K338 PolarHBondContact O-N 3.02Å; A335-K338 PolarHBondContact O-N 3.06Å; C336-K338 VanDerWaalsContact C-N 3.29Å; C336-K338 PolarHBondContact O-N 2.84Å; K338-Y340 VanDerWaalsContact C-N 3.33Å; K338-Y340 PolarHBondContact O-N 3.31Å; K338-K341 PolarHBondContact O-N 3.39Å; K338-L342 WeakPolarHBondContact O-CB 3.43Å; K338-L342 PolarHBondContact O-N 2.88Å
339	S	73.9	Confident	73.4	Confident	55 Å²	55	79.6 Å²	79.6	39%	0.385	41%	0.413	S	S	.	.	H	α-helix	trans	-63.5	-39.1	177.6	-65.8	0	0	0	0	112.1	A335 C336 L342 L343	A335-S339 PolarHBondContact O-N 2.89Å; A335-S339 PolarHBondContact O-OG 2.81Å; C336-S339 PolarHBondContact O-N 3.05Å; S339-L342 PolarHBondContact O-N 2.92Å; S339-L343 WeakPolarHBondContact O-CG 3.2Å; S339-L343 PolarHBondContact O-N 3.13Å
340	Y	73.3	Confident	72.9	Confident	121 Å²	121	82.5 Å²	82.5	48%	0.475	43%	0.426	S	S	.	.	H	α-helix	trans	-62.4	-47.7	174.4	176.8	-102.2	0	0	0	111.9	C336 D337 K338 L342 L343 Q344	C336-Y340 WeakPolarHBondContact O-CB 3.42Å; C336-Y340 PolarHBondContact O-N 3.01Å; D337-Y340 PolarHBondContact O-N 2.99Å; K338-Y340 VanDerWaalsContact C-N 3.33Å; K338-Y340 PolarHBondContact O-N 3.31Å; Y340-L342 VanDerWaalsContact C-N 3.3Å; Y340-L342 PolarHBondContact O-N 2.83Å; Y340-L343 PolarHBondContact O-N 3.44Å; Y340-Q344 HydrophobicContact CD1-CG 4.39Å; Y340-Q344 HydrophobicContact CE1-CG 3.92Å; Y340-Q344 VanDerWaalsContact CE1-NE2 3.34Å; Y340-Q344 HydrophobicContact CE2-CG 4.37Å; Y340-Q344 VanDerWaalsContact CZ-NE2 3.29Å; Y340-Q344 PolarHBondContact O-N 3.42Å; Y340-Q344 PolarHBondContact OH-NE2 2.96Å
341	K	76.2	Confident	72.1	Confident	130 Å²	130	80.3 Å²	80.3	57%	0.565	42%	0.416	S	S	*	.	H	α-helix	trans	-60.4	-40	175.4	-74.6	173.6	-178.2	-179.6	0	111.7	D337 K338 Q344 Q345	D337-K341 WeakPolarHBondContact O-CB 3.13Å; D337-K341 VanDerWaalsContact O-CG 3.26Å; D337-K341 WeakPolarHBondContact O-CG 3.21Å; D337-K341 PolarHBondContact O-N 3.35Å; K338-K341 PolarHBondContact O-N 3.39Å; K341-Q344 PolarHBondContact O-N 3.41Å; K341-Q345 WeakPolarHBondContact O-CB 3.45Å; K341-Q345 VanDerWaalsContact O-CG 3.28Å; K341-Q345 WeakPolarHBondContact O-CG 3.12Å; K341-Q345 PolarHBondContact O-N 2.88Å
342	L	77	Confident	71.4	Confident	91 Å²	91	79.7 Å²	79.7	48%	0.476	41%	0.409	S	S	.	.	H	α-helix	trans	-63.4	-44.4	175.7	-172.9	71.9	0	0	0	111.6	K338 S339 Y340 Q345 Q346	K338-L342 WeakPolarHBondContact O-CB 3.43Å; K338-L342 PolarHBondContact O-N 2.88Å; S339-L342 PolarHBondContact O-N 2.92Å; Y340-L342 VanDerWaalsContact C-N 3.3Å; Y340-L342 PolarHBondContact O-N 2.83Å; L342-Q345 WeakPolarHBondContact O-CB 3.4Å; L342-Q345 PolarHBondContact O-N 3.26Å; L342-Q346 WeakPolarHBondContact O-CG 3.44Å; L342-Q346 PolarHBondContact O-N 3.21Å
343	L	71.8	Confident	70.9	Confident	86 Å²	86	81.1 Å²	81.1	45%	0.45	42%	0.422	S	S	.	.	H	α-helix	trans	-62.9	-41.5	175.2	-74.6	168.6	0	0	0	111.6	S339 Y340 Q345 Q346 V347 I509	S339-L343 WeakPolarHBondContact O-CG 3.2Å; S339-L343 PolarHBondContact O-N 3.13Å; Y340-L343 PolarHBondContact O-N 3.44Å; L343-Q345 VanDerWaalsContact C-N 3.35Å; L343-Q346 PolarHBondContact O-N 2.93Å; L343-V347 WeakPolarHBondContact O-CG2 3.42Å; L343-V347 PolarHBondContact O-N 3.45Å; L343-I509 HydrophobicContact CD1-CD1 3.73Å
344	Q	71.3	Confident	70.2	Confident	101 Å²	101	79.2 Å²	79.2	47%	0.472	41%	0.41	S	S	.	.	H	α-helix	trans	-61.4	-42.6	172.7	-78.7	-165.6	-30.1	0	0	112	Y340 K341 Q346 V347 H348	Y340-Q344 HydrophobicContact CD1-CG 4.39Å; Y340-Q344 HydrophobicContact CE1-CG 3.92Å; Y340-Q344 VanDerWaalsContact CE1-NE2 3.34Å; Y340-Q344 HydrophobicContact CE2-CG 4.37Å; Y340-Q344 VanDerWaalsContact CZ-NE2 3.29Å; Y340-Q344 PolarHBondContact O-N 3.42Å; Y340-Q344 PolarHBondContact OH-NE2 2.96Å; K341-Q344 PolarHBondContact O-N 3.41Å; Q344-Q346 VanDerWaalsContact C-N 3.33Å; Q344-Q346 PolarHBondContact O-N 3.46Å; Q344-V347 PolarHBondContact O-N 2.8Å; Q344-H348 WeakPolarHBondContact O-CB 3.49Å; Q344-H348 PolarHBondContact O-N 2.8Å
345	Q	74.1	Confident	69.2	Low	126 Å²	126	79.7 Å²	79.7	59%	0.589	41%	0.405	S	S	*	.	H	α-helix	trans	-63.2	-37.3	175.4	-75.8	171.9	-10.5	0	0	111.9	K341 L342 L343 H348 A349	K341-Q345 WeakPolarHBondContact O-CB 3.45Å; K341-Q345 VanDerWaalsContact O-CG 3.28Å; K341-Q345 WeakPolarHBondContact O-CG 3.12Å; K341-Q345 PolarHBondContact O-N 2.88Å; L342-Q345 WeakPolarHBondContact O-CB 3.4Å; L342-Q345 PolarHBondContact O-N 3.26Å; L343-Q345 VanDerWaalsContact C-N 3.35Å; Q345-H348 CarbonylContact O-C 3.45Å; Q345-H348 PolarHBondContact O-N 3.34Å; Q345-A349 WeakPolarHBondContact O-CB 3.43Å; Q345-A349 PolarHBondContact O-N 2.9Å
346	Q	72.8	Confident	68.4	Low	114 Å²	114	84.8 Å²	84.8	53%	0.533	43%	0.427	S	S	.	.	H	α-helix	trans	-66.1	-41.1	174.5	-74.2	177.3	-10.6	0	0	112.1	L342 L343 Q344 H348 A349 F350	L342-Q346 WeakPolarHBondContact O-CG 3.44Å; L342-Q346 PolarHBondContact O-N 3.21Å; L343-Q346 PolarHBondContact O-N 2.93Å; Q344-Q346 VanDerWaalsContact C-N 3.33Å; Q344-Q346 PolarHBondContact O-N 3.46Å; Q346-H348 VanDerWaalsContact C-N 3.27Å; Q346-H348 PolarHBondContact O-N 3.49Å; Q346-A349 PolarHBondContact O-N 3.3Å; Q346-F350 PolarHBondContact O-N 3.14Å
347	V	67.8	Low	67.6	Low	83 Å²	83	88.3 Å²	88.3	50%	0.503	45%	0.447	S	S	.	.	H	α-helix	trans	-62	-38.2	171.7	174.1	0	0	0	0	110.6	L343 Q344 F350 K351	L343-V347 WeakPolarHBondContact O-CG2 3.42Å; L343-V347 PolarHBondContact O-N 3.45Å; Q344-V347 PolarHBondContact O-N 2.8Å; V347-F350 WeakPolarHBondContact O-CB 3.5Å; V347-F350 PolarHBondContact O-N 3.31Å; V347-K351 PolarHBondContact O-N 3.02Å
348	H	65.7	Low	66.6	Low	71 Å²	71	89 Å²	89	33%	0.329	45%	0.446	S	S	.	.	H	α-helix	trans	-72.6	-31.1	174.6	-157.6	-52	0	0	0	112.9	Q344 Q345 Q346 K351 Y352	Q344-H348 WeakPolarHBondContact O-CB 3.49Å; Q344-H348 PolarHBondContact O-N 2.8Å; Q345-H348 CarbonylContact O-C 3.45Å; Q345-H348 PolarHBondContact O-N 3.34Å; Q346-H348 VanDerWaalsContact C-N 3.27Å; Q346-H348 PolarHBondContact O-N 3.49Å; H348-K351 WeakPolarHBondContact O-CB 3.33Å; H348-K351 PolarHBondContact O-N 2.94Å; H348-Y352 AromaticContact CE1-CE2 3.66Å; H348-Y352 AromaticContact CE1-CZ 3.85Å; H348-Y352 AromaticContact ND1-CD2 3.97Å; H348-Y352 AromaticContact ND1-CE2 3.38Å; H348-Y352 WeakPolarHBondContact ND1-CE2 3.42Å; H348-Y352 WeakPolarHBondContact O-CD2 3.38Å
349	A	67.6	Low	65.4	Low	57 Å²	57	87.1 Å²	87.1	47%	0.471	45%	0.45	S	S	.	.	H	α-helix	trans	-69.4	-37.2	173.8	0	0	0	0	0	111.1	Q345 Q346 K351 Y352 S353	Q345-A349 WeakPolarHBondContact O-CB 3.43Å; Q345-A349 PolarHBondContact O-N 2.9Å; Q346-A349 PolarHBondContact O-N 3.3Å; A349-K351 PolarHBondContact O-N 2.89Å; A349-Y352 PolarHBondContact O-N 3.2Å; A349-Y352 VanDerWaalsContact O-N 3.15Å; A349-S353 PolarHBondContact O-N 2.82Å
350	F	66.6	Low	64.2	Low	72 Å²	72	90.7 Å²	90.7	32%	0.316	46%	0.46	S	S	.	.	H	α-helix	trans	-59	-34.2	171.3	-178.3	-103.9	0	0	0	111.9	Q346 V347 S353 L354 L408	Q346-F350 PolarHBondContact O-N 3.14Å; V347-F350 WeakPolarHBondContact O-CB 3.5Å; V347-F350 PolarHBondContact O-N 3.31Å; F350-S353 PolarHBondContact O-N 3.47Å; F350-S353 PolarHBondContact O-OG 2.78Å; F350-L354 HydrophobicContact CD1-CD1 4Å; F350-L354 HydrophobicContact CD1-CG 4.43Å; F350-L354 HydrophobicContact CE1-CD1 3.63Å; F350-L354 HydrophobicContact CE1-CD2 4.3Å; F350-L354 HydrophobicContact CE1-CG 4.03Å; F350-L354 HydrophobicContact CZ-CD1 4.29Å; F350-L354 HydrophobicContact CZ-CD2 4.13Å; F350-L354 HydrophobicContact CZ-CG 4.24Å; F350-L354 PolarHBondContact O-N 3.36Å; F350-L408 HydrophobicContact CD1-CD2 4.14Å; F350-L408 HydrophobicContact CE1-CD2 3.5Å; F350-L408 HydrophobicContact CE1-CG 4.44Å; F350-L408 HydrophobicContact CZ-CD2 3.81Å
351	K	60.3	Low	63.1	Low	10 Å²	10	96 Å²	96	4%	0.043	48%	0.479	C	S	.	.	H	α-helix	trans	-56.4	-49.2	172.3	-176.9	177.8	158.2	-170.8	0	111.7	V347 H348 A349 S353 L354 D355 D392 I395 L397	V347-K351 PolarHBondContact O-N 3.02Å; H348-K351 WeakPolarHBondContact O-CB 3.33Å; H348-K351 PolarHBondContact O-N 2.94Å; A349-K351 PolarHBondContact O-N 2.89Å; K351-S353 VanDerWaalsContact C-N 3.3Å; K351-S353 PolarHBondContact O-N 3.29Å; K351-L354 WeakPolarHBondContact O-CB 3.39Å; K351-L354 PolarHBondContact O-N 2.88Å; K351-D355 PolarHBondContact O-N 3.39Å; K351-D392 PolarHBondContact NZ-O 2.55Å; K351-I395 HydrophobicContact CD-CG2 4.28Å; K351-I395 PolarHBondContact NZ-O 3.06Å; K351-L397 HydrophobicContact CB-CD1 3.82Å; K351-L397 HydrophobicContact CD-CD1 4.05Å; K351-L397 HydrophobicContact CD-CG 4.34Å; K351-L397 HydrophobicContact CG-CD1 3.64Å; K351-L397 HydrophobicContact CG-CG 4.42Å
352	Y	60.9	Low	61.9	Low	108 Å²	108	96.5 Å²	96.5	42%	0.424	48%	0.478	S	S	.	.	H	α-helix	trans	-62.4	-36.3	177.7	-68.8	-69.5	0	0	0	112.5	H348 A349 L354 D355 D356 D392	H348-Y352 AromaticContact CE1-CE2 3.66Å; H348-Y352 AromaticContact CE1-CZ 3.85Å; H348-Y352 AromaticContact ND1-CD2 3.97Å; H348-Y352 AromaticContact ND1-CE2 3.38Å; H348-Y352 WeakPolarHBondContact ND1-CE2 3.42Å; H348-Y352 WeakPolarHBondContact O-CD2 3.38Å; A349-Y352 PolarHBondContact O-N 3.2Å; A349-Y352 VanDerWaalsContact O-N 3.15Å; Y352-L354 PolarHBondContact O-N 2.84Å; Y352-D355 PolarHBondContact O-N 2.83Å; Y352-D356 PolarHBondContact O-N 2.82Å; Y352-D392 PolarHBondContact OH-OD2 3.31Å
353	S	64.6	Low	60.7	Low	51 Å²	51	92.9 Å²	92.9	36%	0.357	46%	0.458	S	S	.	.	H	α-helix	trans	-68	-21.2	175.8	75.7	0	0	0	0	114.1	A349 F350 K351 V357	A349-S353 PolarHBondContact O-N 2.82Å; F350-S353 PolarHBondContact O-N 3.47Å; F350-S353 PolarHBondContact O-OG 2.78Å; K351-S353 VanDerWaalsContact C-N 3.3Å; K351-S353 PolarHBondContact O-N 3.29Å; S353-V357 WeakPolarHBondContact O-CG2 3.32Å
354	L	60.1	Low	59.7	Low	14 Å²	14	91.4 Å²	91.4	7%	0.073	46%	0.455	C	S	.	.	H	α-helix	trans	-79	-31.6	174.8	-71.7	169.5	0	0	0	111.9	F350 K351 Y352 D356 V357 F358 L407	F350-L354 HydrophobicContact CD1-CD1 4Å; F350-L354 HydrophobicContact CD1-CG 4.43Å; F350-L354 HydrophobicContact CE1-CD1 3.63Å; F350-L354 HydrophobicContact CE1-CD2 4.3Å; F350-L354 HydrophobicContact CE1-CG 4.03Å; F350-L354 HydrophobicContact CZ-CD1 4.29Å; F350-L354 HydrophobicContact CZ-CD2 4.13Å; F350-L354 HydrophobicContact CZ-CG 4.24Å; F350-L354 PolarHBondContact O-N 3.36Å; K351-L354 WeakPolarHBondContact O-CB 3.39Å; K351-L354 PolarHBondContact O-N 2.88Å; Y352-L354 PolarHBondContact O-N 2.84Å; L354-D356 VanDerWaalsContact C-N 3.29Å; L354-D356 PolarHBondContact O-N 3.16Å; L354-V357 PolarHBondContact O-N 3.17Å; L354-V357 VanDerWaalsContact O-N 3.11Å; L354-F358 PolarHBondContact O-N 2.92Å; L354-L407 HydrophobicContact CD1-CB 4.08Å; L354-L407 HydrophobicContact CD1-CD1 4Å; L354-L407 HydrophobicContact CD1-CD2 4.14Å; L354-L407 HydrophobicContact CD1-CG 4.28Å; L354-L407 HydrophobicContact CD2-CB 4.4Å; L354-L407 HydrophobicContact CD2-CD2 4.16Å
355	D	54.6	Low	58.6	Low	70 Å²	70	90.4 Å²	90.4	37%	0.374	46%	0.459	S	S	.	.	H	α-helix	trans	-65	-34.5	175.9	-69.9	-32.2	0	0	0	111.4	K351 Y352 V357	K351-D355 PolarHBondContact O-N 3.39Å; Y352-D355 PolarHBondContact O-N 2.83Å; D355-V357 VanDerWaalsContact C-N 3.27Å; D355-V357 PolarHBondContact O-N 3.49Å
356	D	56.3	Low	57.4	Low	148 Å²	148	90.2 Å²	90.2	79%	0.791	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-24.1	172.9	-77.9	-22.7	0	0	0	113.4	Y352 L354	Y352-D356 PolarHBondContact O-N 2.82Å; L354-D356 VanDerWaalsContact C-N 3.29Å; L354-D356 PolarHBondContact O-N 3.16Å
357	V	53.8	Low	56.2	Low	97 Å²	97	86 Å²	86	59%	0.588	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-27.2	-177.1	177.5	0	0	0	0	112.1	S353 L354 D355 P359	S353-V357 WeakPolarHBondContact O-CG2 3.32Å; L354-V357 PolarHBondContact O-N 3.17Å; L354-V357 VanDerWaalsContact O-N 3.11Å; D355-V357 VanDerWaalsContact C-N 3.27Å; D355-V357 PolarHBondContact O-N 3.49Å; V357-P359 WeakPolarHBondContact O-CD 3.23Å
358	F	52.2	Low	55.2	Low	103 Å²	103	84 Å²	84	45%	0.452	43%	0.432	S	S	.	.			trans	-123.2	81.4	-178.8	-70.2	-80.6	0	0	0	111.3	L354 H360	L354-F358 PolarHBondContact O-N 2.92Å; F358-H360 PolarHBondContact O-N 3.27Å
359	P	52.2	Low	54.1	Low	121 Å²	121	92 Å²	92	79%	0.786	46%	0.46	S	S	*	.			trans	-69.8	9.5	-177.1	27.9	-34.7	0	0	0	114.5	V357	V357-P359 WeakPolarHBondContact O-CD 3.23Å
360	H	50	Low	52.9	Low	130 Å²	130	93.2 Å²	93.2	60%	0.602	46%	0.461	S	S	*	.			trans	-96.4	112.6	-169.5	-129.1	-58.7	0	0	0	111.3	F358 W362 Y363	F358-H360 PolarHBondContact O-N 3.27Å; H360-W362 AromaticContact CG-CD1 3.51Å; H360-W362 AromaticContact CG-NE1 3.59Å; H360-W362 AromaticContact ND1-CD1 3.33Å; H360-W362 VanDerWaalsContact ND1-CD1 3.33Å; H360-W362 AromaticContact ND1-NE1 3.86Å; H360-W362 PolarHBondContact O-N 2.84Å; H360-Y363 PolarHBondContact O-N 3.47Å; H360-Y363 VanDerWaalsContact O-N 3.08Å
361	R	48.6	Very low	51.8	Low	232 Å²	232	94.5 Å²	94.5	88%	0.875	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.7	-21.5	-179.1	-78.2	-177.4	173	-170.6	-2.7	117	Y363	R361-Y363 VanDerWaalsContact C-N 3.29Å; R361-Y363 PolarHBondContact O-N 3.37Å
362	W	51.7	Low	50.9	Low	141 Å²	141	97.9 Å²	97.9	53%	0.534	50%	0.502	S	S	.	.	H	α-helix	trans	-72.6	-21.1	-179.5	69.9	-95.7	0	0	0	113.3	H360 S365 L366	H360-W362 AromaticContact CG-CD1 3.51Å; H360-W362 AromaticContact CG-NE1 3.59Å; H360-W362 AromaticContact ND1-CD1 3.33Å; H360-W362 VanDerWaalsContact ND1-CD1 3.33Å; H360-W362 AromaticContact ND1-NE1 3.86Å; H360-W362 PolarHBondContact O-N 2.84Å; W362-S365 PolarHBondContact O-OG 2.97Å; W362-L366 HydrophobicContact CE3-CD1 3.64Å; W362-L366 HydrophobicContact CZ3-CD1 3.69Å
363	Y	52.1	Low	50.1	Low	15 Å²	15	99 Å²	99	6%	0.059	52%	0.515	C	S	.	.	H	α-helix	trans	-73.6	-37.6	-180	-175.1	-102.3	0	0	0	111.8	H360 R361 S365 L366 L367 I403 L407	H360-Y363 PolarHBondContact O-N 3.47Å; H360-Y363 VanDerWaalsContact O-N 3.08Å; R361-Y363 VanDerWaalsContact C-N 3.29Å; R361-Y363 PolarHBondContact O-N 3.37Å; Y363-S365 VanDerWaalsContact C-N 3.32Å; Y363-S365 PolarHBondContact O-N 3.42Å; Y363-L366 PolarHBondContact O-N 2.94Å; Y363-L367 HydrophobicContact CD1-CD1 3.94Å; Y363-L367 HydrophobicContact CE1-CD1 3.29Å; Y363-L367 HydrophobicContact CE1-CG 4.37Å; Y363-L367 HydrophobicContact CE2-CD1 4.46Å; Y363-L367 PolarHBondContact O-N 3.41Å; Y363-I403 HydrophobicContact CD2-CD1 4.48Å; Y363-I403 HydrophobicContact CE2-CD1 3.61Å; Y363-I403 HydrophobicContact CE2-CG1 4.49Å; Y363-L407 HydrophobicContact CE2-CD2 4.36Å; Y363-L407 WeakPolarHBondContact OH-CD1 3.36Å; Y363-L407 VanDerWaalsContact OH-CD2 3.26Å; Y363-L407 WeakPolarHBondContact OH-CD2 3.34Å
364	S	50.3	Low	49.2	Very low	56 Å²	56	100.6 Å²	100.6	39%	0.392	53%	0.532	S	S	.	.	H	α-helix	trans	-62.2	-37.3	177.2	-43.4	0	0	0	0	112.2	L366 L367 S368	S364-L366 VanDerWaalsContact C-N 3.34Å; S364-L366 PolarHBondContact O-N 2.98Å; S364-L367 PolarHBondContact O-N 3.08Å; S364-S368 PolarHBondContact O-N 3.44Å
365	S	49.7	Very low	48.6	Very low	80 Å²	80	107.2 Å²	107.2	56%	0.559	57%	0.567	S	S	*	*	H	α-helix	trans	-74.7	-20.8	178.9	66	0	0	0	0	114.1	W362 Y363 S368	W362-S365 PolarHBondContact O-OG 2.97Å; Y363-S365 VanDerWaalsContact C-N 3.32Å; Y363-S365 PolarHBondContact O-N 3.42Å; S365-S368 PolarHBondContact O-OG 3.4Å
366	L	48.4	Very low	48.4	Very low	121 Å²	121	106.7 Å²	106.7	63%	0.634	56%	0.564	S	S	*	*	H	α-helix	trans	-80.9	-20.8	177.4	-120	138.4	0	0	0	112.6	W362 Y363 S364	W362-L366 HydrophobicContact CE3-CD1 3.64Å; W362-L366 HydrophobicContact CZ3-CD1 3.69Å; Y363-L366 PolarHBondContact O-N 2.94Å; S364-L366 VanDerWaalsContact C-N 3.34Å; S364-L366 PolarHBondContact O-N 2.98Å
367	L	46.5	Very low	48.4	Very low	27 Å²	27	106.1 Å²	106.1	14%	0.141	55%	0.551	C	S	.	*	H	α-helix	trans	-99.2	-22.7	179.6	-70	174.9	0	0	0	113.2	Y363 S364 R369 I395 L397 L401 I403	Y363-L367 HydrophobicContact CD1-CD1 3.94Å; Y363-L367 HydrophobicContact CE1-CD1 3.29Å; Y363-L367 HydrophobicContact CE1-CG 4.37Å; Y363-L367 HydrophobicContact CE2-CD1 4.46Å; Y363-L367 PolarHBondContact O-N 3.41Å; S364-L367 PolarHBondContact O-N 3.08Å; L367-R369 PolarHBondContact O-N 2.99Å; L367-I395 HydrophobicContact CB-CD1 4.09Å; L367-I395 HydrophobicContact CB-CG1 3.94Å; L367-I395 HydrophobicContact CB-CG2 3.91Å; L367-I395 HydrophobicContact CD1-CG2 3.89Å; L367-I395 HydrophobicContact CG-CG2 4.39Å; L367-L397 HydrophobicContact CD1-CD2 4.1Å; L367-L397 HydrophobicContact CD2-CD2 3.92Å; L367-L401 HydrophobicContact CD2-CD1 4.12Å; L367-I403 HydrophobicContact CD2-CG2 4.39Å
368	S	48.3	Very low	49	Very low	40 Å²	40	104 Å²	104	28%	0.28	54%	0.536	S	S	.	.			trans	-79	109.7	172.2	64.7	0	0	0	0	110.3	S364 S365 T370	S364-S368 PolarHBondContact O-N 3.44Å; S365-S368 PolarHBondContact O-OG 3.4Å; S368-T370 PolarHBondContact O-N 2.9Å; S368-T370 VanDerWaalsContact O-N 3.16Å
369	R	41	Very low	49.5	Very low	239 Å²	239	109.4 Å²	109.4	90%	0.902	56%	0.563	S	S	*	*			trans	-71.2	0	178.4	-93.8	-174.4	166.1	-172.3	-4.9	115	L367	L367-R369 PolarHBondContact O-N 2.99Å
370	T	42.7	Very low	50.2	Low	82 Å²	82	106.7 Å²	106.7	50%	0.503	55%	0.551	S	S	.	*			trans	-112.8	104.6	-177.2	50	0	0	0	0	109.6	S368 L394	S368-T370 PolarHBondContact O-N 2.9Å; S368-T370 VanDerWaalsContact O-N 3.16Å; T370-L394 HydrophobicContact CG2-CD2 4.25Å
371	S	44.1	Very low	50.4	Low	100 Å²	100	102.9 Å²	102.9	70%	0.699	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-61.6	139.5	151.5	-172.6	0	0	0	0	107.1	L373	S371-L373 PolarHBondContact O-N 2.69Å; S371-L373 VanDerWaalsContact O-N 3.11Å
372	P	41.2	Very low	50.7	Low	81 Å²	81	99.2 Å²	99.2	53%	0.526	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-56.4	122.1	172.8	-14	26.5	0	0	0	107.5
373	L	43	Very low	50.6	Low	130 Å²	130	96.6 Å²	96.6	68%	0.681	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-65.8	149.8	170.8	-77.3	158.8	0	0	0	107.1	S371 D375 D376	S371-L373 PolarHBondContact O-N 2.69Å; S371-L373 VanDerWaalsContact O-N 3.11Å; L373-D375 PolarHBondContact O-N 2.86Å; L373-D376 PolarHBondContact O-N 2.78Å; L373-D376 VanDerWaalsContact O-N 3.13Å
374	A	46.1	Very low	50.8	Low	86 Å²	86	99.9 Å²	99.9	71%	0.711	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	-8.4	-173.2	0	0	0	0	0	114.7
375	D	48.8	Very low	50.7	Low	152 Å²	152	101.6 Å²	101.6	81%	0.813	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-3.3	179.6	-57.2	-31.2	0	0	0	113.6	L373	L373-D375 PolarHBondContact O-N 2.86Å
376	D	49.8	Very low	50.4	Low	60 Å²	60	103.6 Å²	103.6	32%	0.321	57%	0.572	S	S	.	*			trans	-97.7	24.3	-173	-64.8	-37.5	0	0	0	114.5	L373 V384	L373-D376 PolarHBondContact O-N 2.78Å; L373-D376 VanDerWaalsContact O-N 3.13Å; D376-V384 WeakPolarHBondContact O-CG2 3.26Å; D376-V384 PolarHBondContact O-N 3.18Å; D376-V384 VanDerWaalsContact O-N 3.1Å
377	W	56.5	Low	50	Low	135 Å²	135	100.2 Å²	100.2	51%	0.511	57%	0.566	S	S	.	*	B	Isolated β-bridge	trans	-103.5	132.8	175.9	-62.2	82.1	0	0	0	110	G381 R382 P383	W377-G381 VanDerWaalsContact CE3-C 3.45Å; W377-G381 VanDerWaalsContact CZ3-O 3.29Å; W377-G381 WeakPolarHBondContact CZ3-O 3.46Å; W377-R382 WeakPolarHBondContact CA-O 3.34Å; W377-P383 HydrophobicContact CE3-CB 4.4Å; W377-P383 HydrophobicContact CE3-CG 4.29Å; W377-P383 VanDerWaalsContact CE3-N 3.34Å; W377-P383 HydrophobicContact CH2-CB 4.42Å; W377-P383 HydrophobicContact CH2-CG 3.97Å; W377-P383 HydrophobicContact CZ3-CB 4.22Å; W377-P383 VanDerWaalsContact CZ3-CD 3.47Å; W377-P383 HydrophobicContact CZ3-CG 3.7Å
378	D	65.9	Low	49.7	Very low	53 Å²	53	107.6 Å²	107.6	28%	0.283	60%	0.6	S	S	.	*			trans	-64	166.5	172.3	75.8	-1.7	0	0	0	110.8	A380 G381 R382 V384	D378-A380 PolarHBondContact O-N 3.07Å; D378-A380 VanDerWaalsContact OD1-C 3.31Å; D378-A380 WeakPolarHBondContact OD1-CA 3.25Å; D378-A380 WeakPolarHBondContact OD1-CB 3.49Å; D378-A380 PolarHBondContact OD1-N 3.23Å; D378-G381 PolarHBondContact O-N 3.36Å; D378-G381 PolarHBondContact OD1-N 3.36Å; D378-G381 VanDerWaalsContact OD1-N 3.13Å; D378-R382 PolarHBondContact N-O 3.02Å; D378-R382 WeakPolarHBondContact OD1-CB 3.44Å; D378-R382 PolarHBondContact OD1-N 2.85Å; D378-R382 IonicContact OD1-NE 2.88Å; D378-R382 IonicContact OD2-CZ 3.53Å; D378-R382 IonicContact OD2-NE 3.38Å; D378-R382 PolarHBondContact OD2-NE 3.19Å; D378-R382 IonicContact OD2-NH2 3.91Å; D378-R382 PolarHBondContact OD2-NH2 3.08Å; D378-V384 HydrophobicContact CB-CG2 4.37Å
379	E	63.1	Low	49.3	Very low	216 Å²	216	114 Å²	114	100%	1.009	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	-11.2	178	-69.4	-176.6	166.9	0	0	113.6
380	A	65.8	Low	49.3	Very low	65 Å²	65	105.2 Å²	105.2	54%	0.537	60%	0.598	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.4	6.9	175.4	0	0	0	0	0	113.6	D378 R382	D378-A380 PolarHBondContact O-N 3.07Å; D378-A380 VanDerWaalsContact OD1-C 3.31Å; D378-A380 WeakPolarHBondContact OD1-CA 3.25Å; D378-A380 WeakPolarHBondContact OD1-CB 3.49Å; D378-A380 PolarHBondContact OD1-N 3.23Å; A380-R382 VanDerWaalsContact C-N 3.33Å; A380-R382 PolarHBondContact O-N 2.93Å
381	G	54.9	Low	49.3	Very low	50 Å²	50	105.2 Å²	105.2	52%	0.515	59%	0.594	S	S	.	*	S	Bend	trans	68.7	30	179.9	0	0	0	0	0	113.3	W377 D378	W377-G381 VanDerWaalsContact CE3-C 3.45Å; W377-G381 VanDerWaalsContact CZ3-O 3.29Å; W377-G381 WeakPolarHBondContact CZ3-O 3.46Å; D378-G381 PolarHBondContact O-N 3.36Å; D378-G381 PolarHBondContact OD1-N 3.36Å; D378-G381 VanDerWaalsContact OD1-N 3.13Å
382	R	54.4	Low	49.2	Very low	154 Å²	154	103.5 Å²	103.5	58%	0.581	58%	0.577	S	S	*	*			trans	-102.1	141.5	171.3	-62.1	175.7	-68.3	-150.6	-3.4	110.1	W377 D378 A380 V384	W377-R382 WeakPolarHBondContact CA-O 3.34Å; D378-R382 PolarHBondContact N-O 3.02Å; D378-R382 WeakPolarHBondContact OD1-CB 3.44Å; D378-R382 PolarHBondContact OD1-N 2.85Å; D378-R382 IonicContact OD1-NE 2.88Å; D378-R382 IonicContact OD2-CZ 3.53Å; D378-R382 IonicContact OD2-NE 3.38Å; D378-R382 PolarHBondContact OD2-NE 3.19Å; D378-R382 IonicContact OD2-NH2 3.91Å; D378-R382 PolarHBondContact OD2-NH2 3.08Å; A380-R382 VanDerWaalsContact C-N 3.33Å; A380-R382 PolarHBondContact O-N 2.93Å; R382-V384 PolarHBondContact O-N 3.23Å
383	P	50.4	Low	49.4	Very low	86 Å²	86	108.1 Å²	108.1	56%	0.558	59%	0.592	S	S	*	*	B	Isolated β-bridge	trans	-64.2	127.2	174.1	3.6	7.4	0	0	0	107.8	W377 A385	W377-P383 HydrophobicContact CE3-CB 4.4Å; W377-P383 HydrophobicContact CE3-CG 4.29Å; W377-P383 VanDerWaalsContact CE3-N 3.34Å; W377-P383 HydrophobicContact CH2-CB 4.42Å; W377-P383 HydrophobicContact CH2-CG 3.97Å; W377-P383 HydrophobicContact CZ3-CB 4.22Å; W377-P383 VanDerWaalsContact CZ3-CD 3.47Å; W377-P383 HydrophobicContact CZ3-CG 3.7Å; P383-A385 PolarHBondContact O-N 3.38Å
384	V	56.7	Low	49.3	Very low	85 Å²	85	105.5 Å²	105.5	52%	0.515	58%	0.578	S	S	.	*			trans	-62.9	112.3	172.1	-178.7	0	0	0	0	106.8	D376 D378 R382 F386	D376-V384 WeakPolarHBondContact O-CG2 3.26Å; D376-V384 PolarHBondContact O-N 3.18Å; D376-V384 VanDerWaalsContact O-N 3.1Å; D378-V384 HydrophobicContact CB-CG2 4.37Å; R382-V384 PolarHBondContact O-N 3.23Å; V384-F386 PolarHBondContact O-N 3.28Å
385	A	48.2	Very low	49.6	Very low	91 Å²	91	102.3 Å²	102.3	75%	0.752	55%	0.549	S	S	*	.			trans	-62.4	106.9	178.6	0	0	0	0	0	108.3	P383 G387	P383-A385 PolarHBondContact O-N 3.38Å; A385-G387 PolarHBondContact O-N 3.47Å; A385-G387 VanDerWaalsContact O-N 3.12Å
386	F	43.5	Very low	49.9	Very low	122 Å²	122	101 Å²	101	54%	0.535	54%	0.542	S	S	.	.			trans	-52.5	121.3	165.8	-80.3	-86.7	0	0	0	107.5	V384 H388	V384-F386 PolarHBondContact O-N 3.28Å; F386-H388 PolarHBondContact O-N 2.98Å
387	G	39.1	Very low	50.4	Low	50 Å²	50	99.1 Å²	99.1	52%	0.515	53%	0.532	S	S	.	.			trans	-49.9	140.2	172.5	0	0	0	0	0	109.2	A385 E389 T390	A385-G387 PolarHBondContact O-N 3.47Å; A385-G387 VanDerWaalsContact O-N 3.12Å; G387-E389 PolarHBondContact O-N 3.07Å; G387-T390 PolarHBondContact O-N 3.24Å; G387-T390 VanDerWaalsContact O-N 3.11Å; G387-T390 PolarHBondContact O-OG1 3.4Å
388	H	40.8	Very low	50.6	Low	182 Å²	182	94.4 Å²	94.4	84%	0.843	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-14.9	-177.3	-124	-107.5	0	0	0	113.9	F386	F386-H388 PolarHBondContact O-N 2.98Å
389	E	39.2	Very low	50.4	Low	174 Å²	174	97.4 Å²	97.4	81%	0.813	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-18.5	-179.9	-63.2	-176.4	163.1	0	0	114.7	G387	G387-E389 PolarHBondContact O-N 3.07Å
390	T	42.3	Very low	50.5	Low	55 Å²	55	95.5 Å²	95.5	34%	0.337	53%	0.532	S	S	.	.	S	Bend	trans	-95.1	-18.6	-174.4	54.4	0	0	0	0	115.6	G387 D392 L394	G387-T390 PolarHBondContact O-N 3.24Å; G387-T390 VanDerWaalsContact O-N 3.11Å; G387-T390 PolarHBondContact O-OG1 3.4Å; T390-D392 VanDerWaalsContact C-N 3.27Å; T390-D392 PolarHBondContact O-N 3.28Å; T390-L394 WeakPolarHBondContact O-CD1 3.33Å
391	I	42.1	Very low	50.7	Low	82 Å²	82	94.8 Å²	94.8	42%	0.421	52%	0.518	S	S	.	.	H	α-helix	trans	-69.1	-30.4	178.3	-65.1	177	0	0	0	111	E393 L394 I395	I391-E393 PolarHBondContact O-N 3.49Å; I391-L394 PolarHBondContact O-N 2.83Å; I391-I395 HydrophobicContact CG2-CD1 4.03Å; I391-I395 PolarHBondContact O-N 2.93Å
392	D	42.2	Very low	51.5	Low	64 Å²	64	99.5 Å²	99.5	34%	0.342	52%	0.521	S	S	.	.	H	α-helix	trans	-65.1	-36.3	-178.8	-85.9	-8.5	0	0	0	112.8	K351 Y352 T390	K351-D392 PolarHBondContact NZ-O 2.55Å; Y352-D392 PolarHBondContact OH-OD2 3.31Å; T390-D392 VanDerWaalsContact C-N 3.27Å; T390-D392 PolarHBondContact O-N 3.28Å
393	E	44.1	Very low	52.4	Low	178 Å²	178	94.7 Å²	94.7	83%	0.832	51%	0.506	S	S	*	.	H	α-helix	trans	-76	-23.3	175.6	-67.5	-168.5	152.6	0	0	113.5	I391	I391-E393 PolarHBondContact O-N 3.49Å
394	L	42.4	Very low	53.4	Low	75 Å²	75	91.2 Å²	91.2	39%	0.393	48%	0.482	S	S	.	.	H	α-helix	trans	-86.8	-24.7	-172.2	-89.3	156.4	0	0	0	114.4	T370 T390 I391 N396	T370-L394 HydrophobicContact CG2-CD2 4.25Å; T390-L394 WeakPolarHBondContact O-CD1 3.33Å; I391-L394 PolarHBondContact O-N 2.83Å; L394-N396 PolarHBondContact O-N 3.23Å; L394-N396 VanDerWaalsContact O-N 3.16Å
395	I	52.2	Low	54.2	Low	19 Å²	19	88 Å²	88	10%	0.097	46%	0.463	C	S	.	.			trans	-88.9	83.7	177.2	-60.5	172.8	0	0	0	109.1	K351 L367 I391 L397	K351-I395 HydrophobicContact CD-CG2 4.28Å; K351-I395 PolarHBondContact NZ-O 3.06Å; L367-I395 HydrophobicContact CB-CD1 4.09Å; L367-I395 HydrophobicContact CB-CG1 3.94Å; L367-I395 HydrophobicContact CB-CG2 3.91Å; L367-I395 HydrophobicContact CD1-CG2 3.89Å; L367-I395 HydrophobicContact CG-CG2 4.39Å; I391-I395 HydrophobicContact CG2-CD1 4.03Å; I391-I395 PolarHBondContact O-N 2.93Å; I395-L397 HydrophobicContact CG2-CD2 4.18Å; I395-L397 HydrophobicContact CG2-CG 3.94Å; I395-L397 PolarHBondContact O-N 3.21Å; I395-L397 VanDerWaalsContact O-N 3.13Å
396	N	55.2	Low	55.4	Low	125 Å²	125	89 Å²	89	67%	0.668	45%	0.45	S	S	*	.			trans	-82.4	83.4	173.9	-160.6	-2.8	0	0	0	109.6	L394 T398	L394-N396 PolarHBondContact O-N 3.23Å; L394-N396 VanDerWaalsContact O-N 3.16Å; N396-T398 VanDerWaalsContact C-N 3.34Å; N396-T398 PolarHBondContact O-N 3.47Å
397	L	60.3	Low	56.7	Low	20 Å²	20	84 Å²	84	11%	0.105	43%	0.429	C	S	.	.			trans	-65.9	91.1	174.9	-79.2	-174.6	0	0	0	110	K351 L367 I395 L401 M404	K351-L397 HydrophobicContact CB-CD1 3.82Å; K351-L397 HydrophobicContact CD-CD1 4.05Å; K351-L397 HydrophobicContact CD-CG 4.34Å; K351-L397 HydrophobicContact CG-CD1 3.64Å; K351-L397 HydrophobicContact CG-CG 4.42Å; L367-L397 HydrophobicContact CD1-CD2 4.1Å; L367-L397 HydrophobicContact CD2-CD2 3.92Å; I395-L397 HydrophobicContact CG2-CD2 4.18Å; I395-L397 HydrophobicContact CG2-CG 3.94Å; I395-L397 PolarHBondContact O-N 3.21Å; I395-L397 VanDerWaalsContact O-N 3.13Å; L397-L401 HydrophobicContact CD2-CD1 3.63Å; L397-M404 HydrophobicContact CB-CE 3.68Å; L397-M404 HydrophobicContact CD1-CE 4.26Å; L397-M404 HydrophobicContact CD2-CE 3.73Å; L397-M404 HydrophobicContact CG-CE 4.06Å
398	T	60.4	Low	58.4	Low	36 Å²	36	85.4 Å²	85.4	22%	0.221	42%	0.424	C	S	.	.			trans	-95.4	151.1	175.1	66.3	0	0	0	0	110.6	N396 Q400 L401	N396-T398 VanDerWaalsContact C-N 3.34Å; N396-T398 PolarHBondContact O-N 3.47Å; T398-Q400 PolarHBondContact O-N 3.33Å; T398-Q400 PolarHBondContact OG1-N 2.97Å; T398-L401 WeakPolarHBondContact O-CB 3.43Å; T398-L401 PolarHBondContact O-N 3.2Å
399	P	62	Low	60.2	Low	117 Å²	117	84.1 Å²	84.1	76%	0.76	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-15.6	168.5	-26	34.6	0	0	0	114.3
400	Q	65.1	Low	62	Low	176 Å²	176	79.5 Å²	79.5	82%	0.822	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-15.8	178.8	-57.6	179.3	-11.3	0	0	112.9	T398 R402	T398-Q400 PolarHBondContact O-N 3.33Å; T398-Q400 PolarHBondContact OG1-N 2.97Å; Q400-R402 PolarHBondContact O-N 2.79Å
401	L	69.7	Low	63.6	Low	49 Å²	49	82.5 Å²	82.5	26%	0.257	41%	0.407	S	S	.	.	S	Bend	trans	-67.4	131.8	177.8	-66.6	-180	0	0	0	110.6	L367 L397 T398 I403 M404	L367-L401 HydrophobicContact CD2-CD1 4.12Å; L397-L401 HydrophobicContact CD2-CD1 3.63Å; T398-L401 WeakPolarHBondContact O-CB 3.43Å; T398-L401 PolarHBondContact O-N 3.2Å; L401-I403 HydrophobicContact CB-CG2 4.27Å; L401-I403 PolarHBondContact O-N 2.58Å; L401-M404 HydrophobicContact CB-CB 4.45Å; L401-M404 VanDerWaalsContact O-CB 3.25Å; L401-M404 WeakPolarHBondContact O-CB 3.29Å; L401-M404 PolarHBondContact O-N 3.01Å
402	R	71.3	Confident	64.7	Low	150 Å²	150	85.6 Å²	85.6	57%	0.566	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-21.7	-179.7	-68.7	-175.4	-174.5	176.7	1.5	114	Q400 F419 N421 W425	Q400-R402 PolarHBondContact O-N 2.79Å; R402-F419 VanDerWaalsContact NH1-CE1 3.33Å; R402-N421 PolarHBondContact NH1-OD1 2.66Å; R402-W425 HydrophobicContact CB-CZ2 4.43Å; R402-W425 WeakPolarHBondContact O-CH2 3.35Å
403	I	72.9	Confident	65.7	Low	53 Å²	53	88.3 Å²	88.3	27%	0.272	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-19	178	-164.4	146.8	0	0	0	112.7	Y363 L367 L401 K406 L407	Y363-I403 HydrophobicContact CD2-CD1 4.48Å; Y363-I403 HydrophobicContact CE2-CD1 3.61Å; Y363-I403 HydrophobicContact CE2-CG1 4.49Å; L367-I403 HydrophobicContact CD2-CG2 4.39Å; L401-I403 HydrophobicContact CB-CG2 4.27Å; L401-I403 PolarHBondContact O-N 2.58Å; I403-K406 WeakPolarHBondContact O-CB 3.33Å; I403-K406 PolarHBondContact O-N 2.88Å; I403-L407 HydrophobicContact CG1-CD1 4.26Å; I403-L407 HydrophobicContact CG1-CD2 4.37Å; I403-L407 HydrophobicContact CG1-CG 4.04Å; I403-L407 HydrophobicContact CG2-CD1 3.92Å; I403-L407 PolarHBondContact O-N 3.46Å; I403-L407 VanDerWaalsContact O-N 3.12Å
404	M	72.9	Confident	66.9	Low	13 Å²	13	83 Å²	83	6%	0.064	42%	0.42	C	S	.	.	H	α-helix	trans	-59.7	-44.9	-169.4	-167.7	56.7	61.2	0	0	113.5	L397 L401 K406 L407 L408	L397-M404 HydrophobicContact CB-CE 3.68Å; L397-M404 HydrophobicContact CD1-CE 4.26Å; L397-M404 HydrophobicContact CD2-CE 3.73Å; L397-M404 HydrophobicContact CG-CE 4.06Å; L401-M404 HydrophobicContact CB-CB 4.45Å; L401-M404 VanDerWaalsContact O-CB 3.25Å; L401-M404 WeakPolarHBondContact O-CB 3.29Å; L401-M404 PolarHBondContact O-N 3.01Å; M404-K406 PolarHBondContact O-N 2.94Å; M404-L407 HydrophobicContact CE-CD1 4.29Å; M404-L407 PolarHBondContact O-N 3.21Å; M404-L407 VanDerWaalsContact O-N 3.17Å; M404-L407 HydrophobicContact SD-CD1 4.31Å; M404-L408 HydrophobicContact CG-CD1 3.72Å; M404-L408 HydrophobicContact CG-CG 4.2Å; M404-L408 WeakPolarHBondContact O-CB 3.41Å; M404-L408 WeakPolarHBondContact O-CG 3.28Å; M404-L408 PolarHBondContact O-N 2.81Å; M404-L408 HydrophobicContact SD-CD1 3.97Å; M404-L408 HydrophobicContact SD-CG 3.91Å
405	P	73.1	Confident	68.1	Low	17 Å²	17	83.6 Å²	83.6	11%	0.11	42%	0.418	C	S	.	.	H	α-helix	trans	-59.6	-28.3	175.3	-29.8	41.1	0	0	0	114.3	K409 L410 L417 W425	P405-K409 PolarHBondContact O-N 3.32Å; P405-L410 HydrophobicContact CB-CB 4.24Å; P405-L410 HydrophobicContact CB-CD1 4.01Å; P405-L410 HydrophobicContact CB-CG 4.41Å; P405-L410 HydrophobicContact CG-CD1 4.34Å; P405-L410 PolarHBondContact O-N 2.91Å; P405-L417 HydrophobicContact CB-CB 4.23Å; P405-W425 HydrophobicContact CB-CH2 3.86Å; P405-W425 HydrophobicContact CB-CZ3 3.89Å; P405-W425 HydrophobicContact CG-CH2 3.35Å; P405-W425 HydrophobicContact CG-CZ2 3.85Å; P405-W425 HydrophobicContact CG-CZ3 3.8Å
406	K	72.6	Confident	69.1	Low	111 Å²	111	85.6 Å²	85.6	48%	0.483	43%	0.432	S	S	.	.	H	α-helix	trans	-75.8	-44	175.4	-69.2	170.2	169.6	-81.9	0	111.4	I403 M404 L408 K409	I403-K406 WeakPolarHBondContact O-CB 3.33Å; I403-K406 PolarHBondContact O-N 2.88Å; M404-K406 PolarHBondContact O-N 2.94Å; K406-L408 VanDerWaalsContact C-N 3.33Å; K406-L408 PolarHBondContact O-N 3.46Å; K406-K409 PolarHBondContact O-N 2.97Å
407	L	70.9	Confident	70	Confident	18 Å²	18	81.6 Å²	81.6	9%	0.094	41%	0.411	C	S	.	.	H	α-helix	trans	-62.9	-41.2	178.5	-61.5	169.6	0	0	0	111.9	L354 Y363 I403 M404 K409	L354-L407 HydrophobicContact CD1-CB 4.08Å; L354-L407 HydrophobicContact CD1-CD1 4Å; L354-L407 HydrophobicContact CD1-CD2 4.14Å; L354-L407 HydrophobicContact CD1-CG 4.28Å; L354-L407 HydrophobicContact CD2-CB 4.4Å; L354-L407 HydrophobicContact CD2-CD2 4.16Å; Y363-L407 HydrophobicContact CE2-CD2 4.36Å; Y363-L407 WeakPolarHBondContact OH-CD1 3.36Å; Y363-L407 VanDerWaalsContact OH-CD2 3.26Å; Y363-L407 WeakPolarHBondContact OH-CD2 3.34Å; I403-L407 HydrophobicContact CG1-CD1 4.26Å; I403-L407 HydrophobicContact CG1-CD2 4.37Å; I403-L407 HydrophobicContact CG1-CG 4.04Å; I403-L407 HydrophobicContact CG2-CD1 3.92Å; I403-L407 PolarHBondContact O-N 3.46Å; I403-L407 VanDerWaalsContact O-N 3.12Å; M404-L407 HydrophobicContact CE-CD1 4.29Å; M404-L407 PolarHBondContact O-N 3.21Å; M404-L407 VanDerWaalsContact O-N 3.17Å; M404-L407 HydrophobicContact SD-CD1 4.31Å; L407-K409 PolarHBondContact O-N 3.08Å
408	L	75.3	Confident	70.9	Confident	79 Å²	79	83.9 Å²	83.9	41%	0.414	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	0.6	176.4	-66.4	176.4	0	0	0	113.1	F350 M404 K406 L410	F350-L408 HydrophobicContact CD1-CD2 4.14Å; F350-L408 HydrophobicContact CE1-CD2 3.5Å; F350-L408 HydrophobicContact CE1-CG 4.44Å; F350-L408 HydrophobicContact CZ-CD2 3.81Å; M404-L408 HydrophobicContact CG-CD1 3.72Å; M404-L408 HydrophobicContact CG-CG 4.2Å; M404-L408 WeakPolarHBondContact O-CB 3.41Å; M404-L408 WeakPolarHBondContact O-CG 3.28Å; M404-L408 PolarHBondContact O-N 2.81Å; M404-L408 HydrophobicContact SD-CD1 3.97Å; M404-L408 HydrophobicContact SD-CG 3.91Å; K406-L408 VanDerWaalsContact C-N 3.33Å; K406-L408 PolarHBondContact O-N 3.46Å; L408-L410 HydrophobicContact CB-CD1 4.41Å; L408-L410 HydrophobicContact CB-CD2 3.91Å; L408-L410 HydrophobicContact CB-CG 3.76Å; L408-L410 HydrophobicContact CD1-CD1 4.38Å; L408-L410 PolarHBondContact O-N 2.85Å
409	K	77.9	Confident	71.5	Confident	156 Å²	156	84.4 Å²	84.4	68%	0.678	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.7	49.1	-174.5	-58.8	177.8	-178.2	176.6	0	110.9	P405 K406 L407 H411	P405-K409 PolarHBondContact O-N 3.32Å; K406-K409 PolarHBondContact O-N 2.97Å; L407-K409 PolarHBondContact O-N 3.08Å; K409-H411 PolarHBondContact O-CE1 3.32Å; K409-H411 PolarHBondContact O-ND1 3.27Å; K409-H411 VanDerWaalsContact O-ND1 3.11Å; K409-H411 PolarHBondContact O-NE2 3.5Å; K409-H411 VanDerWaalsContact O-NE2 3.12Å
410	L	76.9	Confident	72	Confident	76 Å²	76	80.4 Å²	80.4	40%	0.398	40%	0.395	S	S	.	.			trans	-74.7	132.4	179.3	-60.4	-177.6	0	0	0	109.7	P405 L408 L417	P405-L410 HydrophobicContact CB-CB 4.24Å; P405-L410 HydrophobicContact CB-CD1 4.01Å; P405-L410 HydrophobicContact CB-CG 4.41Å; P405-L410 HydrophobicContact CG-CD1 4.34Å; P405-L410 PolarHBondContact O-N 2.91Å; L408-L410 HydrophobicContact CB-CD1 4.41Å; L408-L410 HydrophobicContact CB-CD2 3.91Å; L408-L410 HydrophobicContact CB-CG 3.76Å; L408-L410 HydrophobicContact CD1-CD1 4.38Å; L408-L410 PolarHBondContact O-N 2.85Å; L410-L417 HydrophobicContact CB-CD1 3.65Å; L410-L417 PolarHBondContact O-N 2.96Å
411	H	75.5	Confident	72.2	Confident	118 Å²	118	78.3 Å²	78.3	55%	0.546	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	147.4	179	-31.5	95.5	0	0	0	110.1	K409 Y415	K409-H411 PolarHBondContact O-CE1 3.32Å; K409-H411 PolarHBondContact O-ND1 3.27Å; K409-H411 VanDerWaalsContact O-ND1 3.11Å; K409-H411 PolarHBondContact O-NE2 3.5Å; K409-H411 VanDerWaalsContact O-NE2 3.12Å; H411-Y415 CarbonylContact C-O 3.49Å; H411-Y415 WeakPolarHBondContact CA-O 3.39Å; H411-Y415 WeakPolarHBondContact CB-O 3.36Å
412	W	66.5	Low	72.1	Confident	147 Å²	147	82 Å²	82	56%	0.557	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117	123.2	166.9	-171.3	-91.8	0	0	0	109	G414 Y415 L417 Y427	W412-G414 PolarHBondContact O-N 2.75Å; W412-Y415 PolarHBondContact N-O 3.07Å; W412-Y415 WeakPolarHBondContact O-CB 3.49Å; W412-Y415 PolarHBondContact O-N 3.43Å; W412-L417 HydrophobicContact CB-CD2 4.26Å; W412-L417 HydrophobicContact CB-CG 4.43Å; W412-Y427 HydrophobicContact CB-CD1 3.99Å; W412-Y427 HydrophobicContact CB-CG 4.11Å; W412-Y427 AromaticContact CD1-CD1 3.64Å; W412-Y427 AromaticContact CD1-CE1 3.48Å; W412-Y427 VanDerWaalsContact CD1-CE1 3.48Å; W412-Y427 AromaticContact CD1-CZ 3.93Å; W412-Y427 HydrophobicContact CG-CD1 4.04Å; W412-Y427 HydrophobicContact CG-CE1 4.29Å
413	N	62.8	Low	71.7	Confident	122 Å²	122	81 Å²	81	65%	0.652	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	38.8	-172.9	-67.7	-10.3	0	0	0	113.7	Y415	N413-Y415 HydrophobicContact CB-CD2 4.45Å; N413-Y415 VanDerWaalsContact O-CD2 3.27Å; N413-Y415 WeakPolarHBondContact O-CD2 3.4Å; N413-Y415 PolarHBondContact O-N 3.24Å
414	G	68.5	Low	71.7	Confident	65 Å²	65	79.5 Å²	79.5	67%	0.67	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	-0.9	-178.3	0	0	0	0	0	115.1	W412	W412-G414 PolarHBondContact O-N 2.75Å
415	Y	69	Low	71.8	Confident	88 Å²	88	84.5 Å²	84.5	35%	0.345	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	139.4	179.5	-63.4	-64.4	0	0	0	112	H411 W412 N413 Y427 L428 I429 P430	H411-Y415 CarbonylContact C-O 3.49Å; H411-Y415 WeakPolarHBondContact CA-O 3.39Å; H411-Y415 WeakPolarHBondContact CB-O 3.36Å; W412-Y415 PolarHBondContact N-O 3.07Å; W412-Y415 WeakPolarHBondContact O-CB 3.49Å; W412-Y415 PolarHBondContact O-N 3.43Å; N413-Y415 HydrophobicContact CB-CD2 4.45Å; N413-Y415 VanDerWaalsContact O-CD2 3.27Å; N413-Y415 WeakPolarHBondContact O-CD2 3.4Å; N413-Y415 PolarHBondContact O-N 3.24Å; Y415-Y427 HydrophobicContact CD2-CD2 4.08Å; Y415-Y427 HydrophobicContact CD2-CE2 4.28Å; Y415-Y427 HydrophobicContact CG-CD2 4.28Å; Y415-L428 WeakPolarHBondContact CB-O 3.33Å; Y415-L428 WeakPolarHBondContact CD1-O 3.34Å; Y415-I429 HydrophobicContact CD2-CG1 4.34Å; Y415-I429 HydrophobicContact CE1-CG2 4.48Å; Y415-I429 HydrophobicContact CG-CG1 4.49Å; Y415-P430 VanDerWaalsContact CD1-CD 3.47Å; Y415-P430 HydrophobicContact CD1-CG 4.34Å; Y415-P430 HydrophobicContact CE1-CG 3.99Å
416	P	71.6	Confident	71.8	Confident	61 Å²	61	85.2 Å²	85.2	40%	0.396	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	137.7	-174.8	27.3	-33.1	0	0	0	111.7	Y427 L428	P416-Y427 CarbonylContact O-C 3.56Å; P416-Y427 VanDerWaalsContact O-CA 3.24Å; P416-Y427 WeakPolarHBondContact O-CA 3.3Å; P416-L428 HydrophobicContact CG-CB 4.14Å; P416-L428 HydrophobicContact CG-CD1 4.37Å; P416-L428 PolarHBondContact O-N 3.3Å
417	L	75.8	Confident	71.8	Confident	41 Å²	41	84.1 Å²	84.1	22%	0.215	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	139.6	174.4	-79.1	160	0	0	0	111.2	P405 L410 W412 W425 G426	P405-L417 HydrophobicContact CB-CB 4.23Å; L410-L417 HydrophobicContact CB-CD1 3.65Å; L410-L417 PolarHBondContact O-N 2.96Å; W412-L417 HydrophobicContact CB-CD2 4.26Å; W412-L417 HydrophobicContact CB-CG 4.43Å; L417-W425 HydrophobicContact CB-CZ3 4.49Å; L417-G426 CarbonylContact C-O 3.56Å; L417-G426 WeakPolarHBondContact CA-O 3.5Å; L417-G426 WeakPolarHBondContact CD2-O 3.43Å
418	H	77.7	Confident	71.7	Confident	69 Å²	69	86.6 Å²	86.6	32%	0.319	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	135.9	-178.6	-176.5	60.1	0	0	0	111.1	G426 L428	H418-G426 PolarHBondContact N-O 3.46Å; H418-G426 CarbonylContact O-C 3.42Å; H418-G426 PolarHBondContact O-N 2.9Å; H418-G426 VanDerWaalsContact O-O 3.08Å; H418-L428 HydrophobicContact CB-CD1 4.12Å; H418-L428 HydrophobicContact CB-CD2 3.96Å; H418-L428 HydrophobicContact CB-CG 3.76Å
419	F	74.1	Confident	71.3	Confident	47 Å²	47	85.3 Å²	85.3	21%	0.206	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	119.9	174.5	-174.1	-92.2	0	0	0	109.9	R402 W425	R402-F419 VanDerWaalsContact NH1-CE1 3.33Å; F419-W425 HydrophobicContact CB-CD2 3.93Å; F419-W425 HydrophobicContact CB-CE3 3.82Å; F419-W425 HydrophobicContact CB-CH2 3.94Å; F419-W425 HydrophobicContact CB-CZ2 4.08Å; F419-W425 HydrophobicContact CB-CZ3 3.82Å; F419-W425 AromaticContact CD2-CD1 3.59Å; F419-W425 AromaticContact CD2-CD2 3.69Å; F419-W425 HydrophobicContact CD2-CD2 3.69Å; F419-W425 AromaticContact CD2-CE2 3.59Å; F419-W425 HydrophobicContact CD2-CE3 4.42Å; F419-W425 AromaticContact CD2-CG 3.7Å; F419-W425 HydrophobicContact CD2-CG 3.7Å; F419-W425 HydrophobicContact CD2-CZ2 4.26Å; F419-W425 AromaticContact CD2-NE1 3.51Å; F419-W425 AromaticContact CE2-CD1 3.98Å; F419-W425 HydrophobicContact CE2-CG 4.44Å; F419-W425 HydrophobicContact CG-CD2 4.31Å
420	S	72.1	Confident	70.4	Confident	33 Å²	33	82.9 Å²	82.9	23%	0.231	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	138.4	166.7	169.1	0	0	0	0	109.3	L422 L423 G424	S420-L422 PolarHBondContact O-N 3.17Å; S420-L422 PolarHBondContact OG-N 3.2Å; S420-L423 PolarHBondContact OG-N 3.47Å; S420-G424 PolarHBondContact N-O 3.24Å; S420-G424 VanDerWaalsContact O-CA 3.22Å; S420-G424 WeakPolarHBondContact O-CA 3.39Å; S420-G424 PolarHBondContact O-N 3.29Å
421	N	69.4	Low	69.6	Low	132 Å²	132	83.2 Å²	83.2	71%	0.706	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-28.2	174.4	-72.4	-27.7	0	0	0	112.4	R402	R402-N421 PolarHBondContact NH1-OD1 2.66Å
422	L	67.7	Low	68.6	Low	126 Å²	126	85.1 Å²	85.1	66%	0.66	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-46.1	-179.7	-176.5	67.8	0	0	0	112	S420	S420-L422 PolarHBondContact O-N 3.17Å; S420-L422 PolarHBondContact OG-N 3.2Å
423	L	62	Low	68	Low	128 Å²	128	83.2 Å²	83.2	67%	0.67	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-6.4	-169.6	-58.1	176.3	0	0	0	113.7	S420	S420-L423 PolarHBondContact OG-N 3.47Å
424	G	73.2	Confident	67.5	Low	22 Å²	22	80.5 Å²	80.5	23%	0.227	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	72.9	-150.4	-172.5	0	0	0	0	0	112.7	S420	S420-G424 PolarHBondContact N-O 3.24Å; S420-G424 VanDerWaalsContact O-CA 3.22Å; S420-G424 WeakPolarHBondContact O-CA 3.39Å; S420-G424 PolarHBondContact O-N 3.29Å
425	W	76.1	Confident	66.4	Low	118 Å²	118	81.3 Å²	81.3	45%	0.447	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	126.4	-179.4	-76.8	108.4	0	0	0	112.3	R402 P405 L417 F419	R402-W425 HydrophobicContact CB-CZ2 4.43Å; R402-W425 WeakPolarHBondContact O-CH2 3.35Å; P405-W425 HydrophobicContact CB-CH2 3.86Å; P405-W425 HydrophobicContact CB-CZ3 3.89Å; P405-W425 HydrophobicContact CG-CH2 3.35Å; P405-W425 HydrophobicContact CG-CZ2 3.85Å; P405-W425 HydrophobicContact CG-CZ3 3.8Å; L417-W425 HydrophobicContact CB-CZ3 4.49Å; F419-W425 HydrophobicContact CB-CD2 3.93Å; F419-W425 HydrophobicContact CB-CE3 3.82Å; F419-W425 HydrophobicContact CB-CH2 3.94Å; F419-W425 HydrophobicContact CB-CZ2 4.08Å; F419-W425 HydrophobicContact CB-CZ3 3.82Å; F419-W425 AromaticContact CD2-CD1 3.59Å; F419-W425 AromaticContact CD2-CD2 3.69Å; F419-W425 HydrophobicContact CD2-CD2 3.69Å; F419-W425 AromaticContact CD2-CE2 3.59Å; F419-W425 HydrophobicContact CD2-CE3 4.42Å; F419-W425 AromaticContact CD2-CG 3.7Å; F419-W425 HydrophobicContact CD2-CG 3.7Å; F419-W425 HydrophobicContact CD2-CZ2 4.26Å; F419-W425 AromaticContact CD2-NE1 3.51Å; F419-W425 AromaticContact CE2-CD1 3.98Å; F419-W425 HydrophobicContact CE2-CG 4.44Å; F419-W425 HydrophobicContact CG-CD2 4.31Å
426	G	72.1	Confident	65.3	Low	33 Å²	33	84.1 Å²	84.1	34%	0.34	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	-165.8	171.2	0	0	0	0	0	111.3	L417 H418	L417-G426 CarbonylContact C-O 3.56Å; L417-G426 WeakPolarHBondContact CA-O 3.5Å; L417-G426 WeakPolarHBondContact CD2-O 3.43Å; H418-G426 PolarHBondContact N-O 3.46Å; H418-G426 CarbonylContact O-C 3.42Å; H418-G426 PolarHBondContact O-N 2.9Å; H418-G426 VanDerWaalsContact O-O 3.08Å
427	Y	73.7	Confident	63.9	Low	88 Å²	88	85 Å²	85	35%	0.345	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	145.8	176.1	53.2	-85.4	0	0	0	110.6	W412 Y415 P416 I429	W412-Y427 HydrophobicContact CB-CD1 3.99Å; W412-Y427 HydrophobicContact CB-CG 4.11Å; W412-Y427 AromaticContact CD1-CD1 3.64Å; W412-Y427 AromaticContact CD1-CE1 3.48Å; W412-Y427 VanDerWaalsContact CD1-CE1 3.48Å; W412-Y427 AromaticContact CD1-CZ 3.93Å; W412-Y427 HydrophobicContact CG-CD1 4.04Å; W412-Y427 HydrophobicContact CG-CE1 4.29Å; Y415-Y427 HydrophobicContact CD2-CD2 4.08Å; Y415-Y427 HydrophobicContact CD2-CE2 4.28Å; Y415-Y427 HydrophobicContact CG-CD2 4.28Å; P416-Y427 CarbonylContact O-C 3.56Å; P416-Y427 VanDerWaalsContact O-CA 3.24Å; P416-Y427 WeakPolarHBondContact O-CA 3.3Å; Y427-I429 HydrophobicContact CD2-CD1 4.22Å; Y427-I429 HydrophobicContact CD2-CG1 3.74Å; Y427-I429 HydrophobicContact CE2-CD1 3.6Å; Y427-I429 HydrophobicContact CE2-CG1 3.63Å; Y427-I429 PolarHBondContact O-N 2.78Å
428	L	67.7	Low	62.2	Low	70 Å²	70	88.2 Å²	88.2	37%	0.366	50%	0.499	S	S	.	.			trans	-84.8	110.2	-173.8	-61.6	173.6	0	0	0	111	Y415 P416 H418	Y415-L428 WeakPolarHBondContact CB-O 3.33Å; Y415-L428 WeakPolarHBondContact CD1-O 3.34Å; P416-L428 HydrophobicContact CG-CB 4.14Å; P416-L428 HydrophobicContact CG-CD1 4.37Å; P416-L428 PolarHBondContact O-N 3.3Å; H418-L428 HydrophobicContact CB-CD1 4.12Å; H418-L428 HydrophobicContact CB-CD2 3.96Å; H418-L428 HydrophobicContact CB-CG 3.76Å
429	I	67	Low	60.4	Low	52 Å²	52	91.2 Å²	91.2	27%	0.267	51%	0.511	S	S	.	.			trans	-95	119.9	174.7	-51.7	174.5	0	0	0	108.5	Y415 Y427 G431 R432	Y415-I429 HydrophobicContact CD2-CG1 4.34Å; Y415-I429 HydrophobicContact CE1-CG2 4.48Å; Y415-I429 HydrophobicContact CG-CG1 4.49Å; Y427-I429 HydrophobicContact CD2-CD1 4.22Å; Y427-I429 HydrophobicContact CD2-CG1 3.74Å; Y427-I429 HydrophobicContact CE2-CD1 3.6Å; Y427-I429 HydrophobicContact CE2-CG1 3.63Å; Y427-I429 PolarHBondContact O-N 2.78Å; I429-G431 PolarHBondContact O-N 2.97Å; I429-R432 PolarHBondContact O-N 3.14Å
430	P	59.2	Low	58.7	Low	104 Å²	104	98.2 Å²	98.2	68%	0.675	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	133.3	175.3	-22.1	32.2	0	0	0	111.4	Y415	Y415-P430 VanDerWaalsContact CD1-CD 3.47Å; Y415-P430 HydrophobicContact CD1-CG 4.34Å; Y415-P430 HydrophobicContact CE1-CG 3.99Å
431	G	61.1	Low	57.2	Low	84 Å²	84	102.9 Å²	102.9	87%	0.866	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	90.3	-2.7	175.5	0	0	0	0	0	116.4	I429	I429-G431 PolarHBondContact O-N 2.97Å
432	R	53.8	Low	56	Low	157 Å²	157	99.9 Å²	99.9	59%	0.592	55%	0.546	S	S	*	.			trans	-88.6	108.2	175.7	-151.8	-178.9	-173.7	165	2.5	110.6	I429 S434	I429-R432 PolarHBondContact O-N 3.14Å; R432-S434 VanDerWaalsContact C-N 3.32Å; R432-S434 PolarHBondContact O-N 3.09Å
433	T	53.6	Low	54.8	Low	108 Å²	108	100 Å²	100	66%	0.663	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-78.5	-9.2	-176.2	49.9	0	0	0	0	114.7	N435 L436	T433-N435 PolarHBondContact O-N 3.32Å; T433-L436 PolarHBondContact O-N 3.43Å; T433-L436 VanDerWaalsContact O-N 3.08Å
434	S	52.2	Low	53.7	Low	65 Å²	65	100.6 Å²	100.6	46%	0.455	56%	0.557	S	S	.	*	G	3₁₀ helix	trans	-62.5	-9.1	-179.5	59.8	0	0	0	0	114.8	R432	R432-S434 VanDerWaalsContact C-N 3.32Å; R432-S434 PolarHBondContact O-N 3.09Å
435	N	45.4	Very low	52	Low	81 Å²	81	101.4 Å²	101.4	43%	0.433	57%	0.566	S	S	.	*	G	3₁₀ helix	trans	-100.8	2.8	180	-57.9	-10.8	0	0	0	112.7	T433	T433-N435 PolarHBondContact O-N 3.32Å
436	L	45.4	Very low	49.9	Very low	148 Å²	148	103.2 Å²	103.2	78%	0.775	57%	0.573	S	S	*	*	S	Bend	trans	-112.1	-2.1	-175	-66.7	168.3	0	0	0	113.4	T433	T433-L436 PolarHBondContact O-N 3.43Å; T433-L436 VanDerWaalsContact O-N 3.08Å
437	A	42.5	Very low	48.2	Very low	78 Å²	78	107.2 Å²	107.2	65%	0.645	58%	0.579	S	S	*	*	S	Bend	trans	-102.3	-6.7	-168.1	0	0	0	0	0	115.7
438	D	40.1	Very low	45.9	Very low	110 Å²	110	110.8 Å²	110.8	59%	0.588	60%	0.603	S	S	*	*	S	Bend	trans	-109.2	31	-167.5	-69.4	-19.8	0	0	0	115
439	F	40.6	Very low	44.1	Very low	132 Å²	132	113.3 Å²	113.3	58%	0.579	62%	0.621	S	S	*	*			trans	-140.8	100.6	179.9	-67.2	-67.5	0	0	0	113.1	Y447	F439-Y447 HydrophobicContact CB-CD1 4.39Å; F439-Y447 HydrophobicContact CB-CE1 3.49Å; F439-Y447 VanDerWaalsContact CB-CE1 3.49Å; F439-Y447 WeakPolarHBondContact CB-OH 3.27Å; F439-Y447 HydrophobicContact CD1-CD1 4.19Å; F439-Y447 HydrophobicContact CD1-CE1 4.06Å; F439-Y447 HydrophobicContact CG-CE1 4.06Å
440	E	38.1	Very low	42.2	Very low	194 Å²	194	114.9 Å²	114.9	91%	0.907	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-73.6	132.3	162.4	-74.6	-173.5	160.7	0	0	109.9
441	Q	40.4	Very low	40.8	Very low	131 Å²	131	115.2 Å²	115.2	61%	0.612	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-97.9	142.8	178.6	-78.3	179	-15.8	0	0	110.7	Y447	Q441-Y447 HydrophobicContact CG-CE1 3.81Å; Q441-Y447 WeakPolarHBondContact CG-OH 3.28Å; Q441-Y447 PolarHBondContact NE2-OH 3.31Å
442	D	44.8	Very low	39.1	Very low	68 Å²	68	118.4 Å²	118.4	36%	0.364	64%	0.641	S	S	.	*	P	Polyproline II helix	trans	-75.8	171.7	162.7	77	3.4	0	0	0	111.5	E444 G445 R446	D442-E444 PolarHBondContact O-N 3.38Å; D442-E444 PolarHBondContact OD1-N 3.35Å; D442-E444 VanDerWaalsContact OD1-N 3.16Å; D442-G445 PolarHBondContact O-N 3.08Å; D442-G445 PolarHBondContact OD1-N 3.08Å; D442-G445 VanDerWaalsContact OD1-N 3.13Å; D442-R446 PolarHBondContact OD1-N 2.95Å
443	S	42.3	Very low	37.7	Very low	130 Å²	130	119.8 Å²	119.8	91%	0.909	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-0.9	-175.1	50.1	0	0	0	0	115.4
444	E	38.7	Very low	36.3	Very low	139 Å²	139	122.7 Å²	122.7	65%	0.65	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.7	12.1	172.8	-67.9	-173.9	-178.1	0	0	113	D442 R446	D442-E444 PolarHBondContact O-N 3.38Å; D442-E444 PolarHBondContact OD1-N 3.35Å; D442-E444 VanDerWaalsContact OD1-N 3.16Å; E444-R446 PolarHBondContact O-N 3.27Å; E444-R446 IonicContact OE2-CZ 2.63Å; E444-R446 IonicContact OE2-NE 3.31Å; E444-R446 IonicContact OE2-NH2 3.63Å; E444-R446 PolarHBondContact OE2-NH2 2.78Å
445	G	36.8	Very low	35	Very low	40 Å²	40	124.1 Å²	124.1	41%	0.412	68%	0.681	S	S	.	*	S	Bend	trans	70.8	25.7	173	0	0	0	0	0	114.6	D442	D442-G445 PolarHBondContact O-N 3.08Å; D442-G445 PolarHBondContact OD1-N 3.08Å; D442-G445 VanDerWaalsContact OD1-N 3.13Å
446	R	32.6	Very low	33.9	Very low	155 Å²	155	127.3 Å²	127.3	59%	0.585	70%	0.697	S	S	*	*			trans	-107.7	138.9	179.1	-67.3	-176.7	-70.9	-166.5	-1.6	111.5	D442 E444	D442-R446 PolarHBondContact OD1-N 2.95Å; E444-R446 PolarHBondContact O-N 3.27Å; E444-R446 IonicContact OE2-CZ 2.63Å; E444-R446 IonicContact OE2-NE 3.31Å; E444-R446 IonicContact OE2-NH2 3.63Å; E444-R446 PolarHBondContact OE2-NH2 2.78Å
447	Y	36.1	Very low	32.8	Very low	118 Å²	118	124 Å²	124	46%	0.463	70%	0.699	S	S	.	*			trans	-93.5	121.2	172	-62.4	-63.8	0	0	0	110	F439 Q441	F439-Y447 HydrophobicContact CB-CD1 4.39Å; F439-Y447 HydrophobicContact CB-CE1 3.49Å; F439-Y447 VanDerWaalsContact CB-CE1 3.49Å; F439-Y447 WeakPolarHBondContact CB-OH 3.27Å; F439-Y447 HydrophobicContact CD1-CD1 4.19Å; F439-Y447 HydrophobicContact CD1-CE1 4.06Å; F439-Y447 HydrophobicContact CG-CE1 4.06Å; Q441-Y447 HydrophobicContact CG-CE1 3.81Å; Q441-Y447 WeakPolarHBondContact CG-OH 3.28Å; Q441-Y447 PolarHBondContact NE2-OH 3.31Å
448	L	25.5	Very low	31.9	Very low	163 Å²	163	128.8 Å²	128.8	85%	0.853	71%	0.705	S	S	*	*			trans	-80.6	128.9	173	-66.7	169	0	0	0	110
449	V	29.8	Very low	31.1	Very low	123 Å²	123	130.1 Å²	130.1	75%	0.745	71%	0.708	S	S	*	*			trans	-117.4	123.1	169.6	179.2	0	0	0	0	108.1
450	A	27.2	Very low	30.2	Very low	85 Å²	85	131.3 Å²	131.3	70%	0.702	72%	0.719	S	S	*	*			trans	-66.9	143	170.7	0	0	0	0	0	110.8
451	P	30.9	Very low	29.4	Very low	111 Å²	111	128.6 Å²	128.6	72%	0.721	72%	0.716	S	S	*	*			trans	-79.4	127.7	173.8	32.1	-28.6	0	0	0	109.3
452	D	23.9	Very low	28.7	Very low	150 Å²	150	129.1 Å²	129.1	80%	0.802	72%	0.716	S	S	*	*			trans	165.7	117.1	134.4	-79.7	-21.4	0	0	0	110.5
453	E	25.7	Very low	27.9	Very low	187 Å²	187	133.9 Å²	133.9	87%	0.874	74%	0.742	S	S	*	*				170.1	101.1	110.2	-88.8	-164.4	161.6	0	0	108.9	A455	E453-A455 VanDerWaalsContact C-N 3.3Å; E453-A455 PolarHBondContact O-N 3.03Å
454	L	23.7	Very low	27.3	Very low	168 Å²	168	130.1 Å²	130.1	88%	0.88	72%	0.724	S	S	*	*			trans	-61.8	89.5	165.2	-120.7	98.3	0	0	0	108.7	N456	L454-N456 PolarHBondContact O-N 2.95Å; L454-N456 VanDerWaalsContact O-N 3.09Å
455	A	24.9	Very low	27.4	Very low	96 Å²	96	127.6 Å²	127.6	79%	0.793	72%	0.719	S	S	*	*			trans	-73.8	102.2	166.3	0	0	0	0	0	108.8	E453 G457	E453-A455 VanDerWaalsContact C-N 3.3Å; E453-A455 PolarHBondContact O-N 3.03Å; A455-G457 PolarHBondContact O-N 2.72Å
456	N	22.4	Very low	28	Very low	147 Å²	147	129.1 Å²	129.1	79%	0.786	72%	0.721	S	S	*	*			trans	-40.2	89.5	166.1	-76.6	-49.7	0	0	0	112.8	L454 K458	L454-N456 PolarHBondContact O-N 2.95Å; L454-N456 VanDerWaalsContact O-N 3.09Å; N456-K458 VanDerWaalsContact C-N 3.32Å; N456-K458 PolarHBondContact O-N 3.1Å; N456-K458 VanDerWaalsContact O-N 3.14Å
457	G	23	Very low	29.4	Very low	78 Å²	78	126 Å²	126	80%	0.804	71%	0.713	S	S	*	*			trans	-80.9	80.8	165	0	0	0	0	0	109.3	A455 E459	A455-G457 PolarHBondContact O-N 2.72Å; G457-E459 PolarHBondContact O-N 3.39Å
458	K	22.9	Very low	30.7	Very low	180 Å²	180	121.4 Å²	121.4	78%	0.783	70%	0.695	S	S	*	*			trans	-48.7	133.2	170.8	-82.1	-178.6	172	-178.5	0	110.3	N456 L460	N456-K458 VanDerWaalsContact C-N 3.32Å; N456-K458 PolarHBondContact O-N 3.1Å; N456-K458 VanDerWaalsContact O-N 3.14Å; K458-L460 PolarHBondContact O-N 3.2Å
459	E	22.1	Very low	32.6	Very low	137 Å²	137	114.3 Å²	114.3	64%	0.64	66%	0.658	S	S	*	*			trans	-39.4	111.1	160.9	-69.3	178.8	126.8	0	0	110.4	G457 K462	G457-E459 PolarHBondContact O-N 3.39Å; E459-K462 WeakPolarHBondContact OE1-CE 3.47Å; E459-K462 IonicContact OE1-NZ 3.29Å; E459-K462 PolarHBondContact OE1-NZ 3.23Å; E459-K462 WeakPolarHBondContact OE2-CE 3.25Å; E459-K462 IonicContact OE2-NZ 3.77Å; E459-K462 PolarHBondContact OE2-NZ 3.28Å
460	L	22.1	Very low	34.4	Very low	157 Å²	157	110.1 Å²	110.1	82%	0.822	63%	0.631	S	S	*	*			trans	-132.8	42.2	173.7	-86.5	172.9	0	0	0	110.9	K458	K458-L460 PolarHBondContact O-N 3.2Å
461	V	22.7	Very low	36.3	Very low	138 Å²	138	106.5 Å²	106.5	84%	0.836	60%	0.601	S	S	*	*			trans	-150.4	53.9	153	-161.5	0	0	0	0	109.2
462	K	24.7	Very low	38.1	Very low	141 Å²	141	108.1 Å²	108.1	61%	0.613	59%	0.592	S	S	*	*	S	Bend	trans	-85.1	123.6	153.9	-86	176.8	173.1	159.2	0	105.5	E459 G464	E459-K462 WeakPolarHBondContact OE1-CE 3.47Å; E459-K462 IonicContact OE1-NZ 3.29Å; E459-K462 PolarHBondContact OE1-NZ 3.23Å; E459-K462 WeakPolarHBondContact OE2-CE 3.25Å; E459-K462 IonicContact OE2-NZ 3.77Å; E459-K462 PolarHBondContact OE2-NZ 3.28Å; K462-G464 WeakPolarHBondContact O-CA 3.49Å; K462-G464 PolarHBondContact O-N 3.42Å
463	N	28.7	Very low	40.2	Very low	168 Å²	168	108.3 Å²	108.3	90%	0.898	59%	0.586	S	S	*	*			trans	-6.6	89.1	169.3	-69.5	-28.8	0	0	0	111.4
464	G	29	Very low	42.2	Very low	52 Å²	52	102 Å²	102	54%	0.536	56%	0.555	S	S	.	*			trans	-54.3	139.7	-174.9	0	0	0	0	0	107.9	K462 T466	K462-G464 WeakPolarHBondContact O-CA 3.49Å; K462-G464 PolarHBondContact O-N 3.42Å; G464-T466 PolarHBondContact O-N 3.06Å
465	P	41.3	Very low	45	Very low	85 Å²	85	95.4 Å²	95.4	55%	0.552	52%	0.522	S	S	*	.			trans	-53.3	113.6	175.1	23.9	-31.8	0	0	0	105.9	H467	P465-H467 PolarHBondContact O-CD2 2.63Å; P465-H467 VanDerWaalsContact O-CD2 3.28Å; P465-H467 PolarHBondContact O-N 3.36Å
466	T	48.7	Very low	47.9	Very low	73 Å²	73	91 Å²	91	45%	0.448	49%	0.485	S	S	.	.			trans	-53.8	116.7	179.9	20.6	0	0	0	0	106.3	G464 F468 R480	G464-T466 PolarHBondContact O-N 3.06Å; T466-F468 HydrophobicContact CG2-CE1 4.35Å; T466-F468 HydrophobicContact CG2-CE2 4.38Å; T466-F468 HydrophobicContact CG2-CZ 3.99Å; T466-F468 PolarHBondContact O-N 3.39Å; T466-R480 PolarHBondContact O-NH1 2.95Å
467	H	61.6	Low	50.9	Low	90 Å²	90	84 Å²	84	42%	0.417	45%	0.448	S	S	.	.	S	Bend	trans	-76.7	16.1	-171.6	-69.8	-84.1	0	0	0	112.5	P465 R480 S494	P465-H467 PolarHBondContact O-CD2 2.63Å; P465-H467 VanDerWaalsContact O-CD2 3.28Å; P465-H467 PolarHBondContact O-N 3.36Å; H467-R480 VanDerWaalsContact O-CB 3.25Å; H467-R480 WeakPolarHBondContact O-CB 3.09Å; H467-R480 VanDerWaalsContact O-CD 3.24Å; H467-R480 WeakPolarHBondContact O-CD 3.45Å; H467-R480 WeakPolarHBondContact O-CG 3.39Å; H467-S494 WeakPolarHBondContact CB-OG 3.35Å; H467-S494 PolarHBondContact CD2-OG 3.38Å
468	F	63.2	Low	54.1	Low	20 Å²	20	80.2 Å²	80.2	9%	0.088	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	150.8	175.8	54.6	-92	0	0	0	108.1	W329 T466 I470 V477 M478 T495 W496	W329-F468 AromaticContact CZ2-CE2 3.95Å; W329-F468 HydrophobicContact CZ2-CE2 3.95Å; W329-F468 HydrophobicContact CZ2-CZ 4.23Å; T466-F468 HydrophobicContact CG2-CE1 4.35Å; T466-F468 HydrophobicContact CG2-CE2 4.38Å; T466-F468 HydrophobicContact CG2-CZ 3.99Å; T466-F468 PolarHBondContact O-N 3.39Å; F468-I470 HydrophobicContact CD2-CD1 4.08Å; F468-I470 HydrophobicContact CD2-CG1 3.83Å; F468-I470 HydrophobicContact CE2-CD1 3.69Å; F468-I470 HydrophobicContact CE2-CG1 3.93Å; F468-V477 HydrophobicContact CB-CG1 3.67Å; F468-V477 HydrophobicContact CD2-CG1 3.51Å; F468-V477 HydrophobicContact CE2-CG1 4.43Å; F468-V477 HydrophobicContact CG-CG1 3.81Å; F468-M478 WeakPolarHBondContact CA-O 3.49Å; F468-T495 HydrophobicContact CD1-CG2 4.09Å; F468-T495 HydrophobicContact CE1-CG2 3.66Å; F468-W496 AromaticContact CD1-NE1 3.61Å; F468-W496 AromaticContact CG-NE1 3.55Å
469	L	65.3	Low	57.4	Low	14 Å²	14	71.7 Å²	71.7	7%	0.073	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	134.7	174.5	-168.9	73.7	0	0	0	110.4	N129 L154 A184 Y185 Y190 V477 M478	N129-L469 HydrophobicContact CB-CD1 4Å; N129-L469 VanDerWaalsContact CG-CD1 3.46Å; N129-L469 VanDerWaalsContact ND2-CD1 3.31Å; N129-L469 WeakPolarHBondContact ND2-CD1 3.47Å; N129-L469 WeakPolarHBondContact O-CD1 3.39Å; L154-L469 HydrophobicContact CD2-CD2 4.31Å; A184-L469 HydrophobicContact CB-CB 3.86Å; A184-L469 WeakPolarHBondContact O-CD2 3.45Å; Y185-L469 HydrophobicContact CD1-CD2 3.53Å; Y185-L469 HydrophobicContact CE1-CD1 3.95Å; Y185-L469 HydrophobicContact CE1-CD2 3.57Å; Y185-L469 HydrophobicContact CE1-CG 4.36Å; Y185-L469 HydrophobicContact CG-CD2 4.4Å; Y190-L469 PolarHBondContact OH-O 2.88Å; L469-V477 WeakPolarHBondContact O-CA 3.47Å; L469-M478 PolarHBondContact N-O 3.45Å; L469-M478 PolarHBondContact O-N 2.77Å
470	I	68	Low	60.7	Low	36 Å²	36	66.3 Å²	66.3	19%	0.185	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	119.7	174.9	-55.2	-170	0	0	0	109.1	W329 F330 F468 S476 V477	W329-I470 HydrophobicContact CD2-CD1 3.69Å; W329-I470 HydrophobicContact CG-CD1 4.01Å; W329-I470 HydrophobicContact CH2-CD1 4.25Å; W329-I470 HydrophobicContact CZ2-CD1 3.36Å; F330-I470 HydrophobicContact CE1-CG2 4.22Å; F330-I470 HydrophobicContact CZ-CG2 3.84Å; F468-I470 HydrophobicContact CD2-CD1 4.08Å; F468-I470 HydrophobicContact CD2-CG1 3.83Å; F468-I470 HydrophobicContact CE2-CD1 3.69Å; F468-I470 HydrophobicContact CE2-CG1 3.93Å; I470-S476 WeakPolarHBondContact CA-O 3.37Å; I470-V477 HydrophobicContact CD1-CG2 3.93Å; I470-V477 HydrophobicContact CG1-CB 4.42Å; I470-V477 HydrophobicContact CG1-CG1 4.22Å; I470-V477 HydrophobicContact CG1-CG2 3.89Å
471	C	68.4	Low	64.1	Low	9 Å²	9	59.2 Å²	59.2	6%	0.061	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	111.8	171.7	-169.8	0	0	0	0	109.7	Y190 K473 Y474 C475 S476	Y190-C471 HydrophobicContact CD1-CB 3.69Å; Y190-C471 HydrophobicContact CE1-CB 3.36Å; Y190-C471 HydrophobicContact CG-CB 4.48Å; C471-K473 PolarHBondContact O-N 3.27Å; C471-Y474 HydrophobicContact CB-CD2 3.93Å; C471-Y474 PolarHBondContact O-N 3.46Å; C471-Y474 WeakPolarHBondContact SG-CD2 3.5Å; C471-C475 WeakPolarHBondContact O-CA 3.49Å; C471-C475 PolarHBondContact O-N 3.31Å; C471-S476 PolarHBondContact N-O 3.08Å; C471-S476 VanDerWaalsContact N-O 3.07Å
472	R	67.8	Low	67.5	Low	145 Å²	145	54.1 Å²	54.1	55%	0.547	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-38.7	173	-91.6	-178.8	178.3	-174.3	3.7	112.8	F330	F330-R472 HydrophobicContact CD1-CG 4.4Å; F330-R472 HydrophobicContact CD2-CG 4.46Å; F330-R472 HydrophobicContact CE1-CG 3.54Å; F330-R472 HydrophobicContact CE2-CG 3.63Å; F330-R472 HydrophobicContact CZ-CB 4.16Å; F330-R472 HydrophobicContact CZ-CG 3.11Å
473	K	67.4	Low	70.8	Confident	153 Å²	153	48 Å²	48	67%	0.665	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-39.5	-178.7	-176	-180	177.5	-173.2	0	112.3	C471	C471-K473 PolarHBondContact O-N 3.27Å
474	Y	69.5	Low	74	Confident	56 Å²	56	40 Å²	40	22%	0.22	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	0	-175.9	-58	-64.4	0	0	0	113.5	L154 I161 Y190 C471 S476	L154-Y474 HydrophobicContact CD1-CD2 4Å; L154-Y474 HydrophobicContact CD1-CE2 3.67Å; I161-Y474 HydrophobicContact CD1-CE1 3.87Å; Y190-Y474 HydrophobicContact CD1-CD2 4.07Å; Y190-Y474 HydrophobicContact CD1-CG 4.45Å; Y190-Y474 AromaticContact CG-CD2 3.87Å; Y190-Y474 HydrophobicContact CG-CD2 3.87Å; Y190-Y474 HydrophobicContact CG-CG 4.43Å; C471-Y474 HydrophobicContact CB-CD2 3.93Å; C471-Y474 PolarHBondContact O-N 3.46Å; C471-Y474 WeakPolarHBondContact SG-CD2 3.5Å; Y474-S476 PolarHBondContact O-N 2.99Å; Y474-S476 VanDerWaalsContact O-N 3.16Å; Y474-S476 PolarHBondContact O-OG 2.74Å
475	C	81.2	Confident	77	Confident	29 Å²	29	38.5 Å²	38.5	20%	0.196	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	41.1	52.2	-174	-66.8	0	0	0	0	111.7	T325 C471	T325-C475 CarbonylContact C-O 3.48Å; T325-C475 VanDerWaalsContact C-O 3.27Å; T325-C475 WeakPolarHBondContact CA-O 3.28Å; T325-C475 VanDerWaalsContact CG2-C 3.49Å; T325-C475 VanDerWaalsContact CG2-O 3.28Å; T325-C475 WeakPolarHBondContact CG2-O 3.3Å; T325-C475 PolarHBondContact N-O 3.5Å; T325-C475 WeakPolarHBondContact O-CB 3.38Å; C471-C475 WeakPolarHBondContact O-CA 3.49Å; C471-C475 PolarHBondContact O-N 3.31Å
476	S	85.4	Confident	79.5	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.014	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	145.8	-175	-62.7	0	0	0	0	110.8	Y322 I470 C471 Y474	Y322-S476 PolarHBondContact OH-OG 3.3Å; I470-S476 WeakPolarHBondContact CA-O 3.37Å; C471-S476 PolarHBondContact N-O 3.08Å; C471-S476 VanDerWaalsContact N-O 3.07Å; Y474-S476 PolarHBondContact O-N 2.99Å; Y474-S476 VanDerWaalsContact O-N 3.16Å; Y474-S476 PolarHBondContact O-OG 2.74Å
477	V	87	Confident	81.6	Confident	0 Å²	0	34 Å²	34	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	134.7	177.3	-172	0	0	0	0	108.7	L323 T325 W329 F468 L469 I470 P479 W496 I517	L323-V477 HydrophobicContact CB-CB 4.12Å; L323-V477 PolarHBondContact N-O 3.06Å; L323-V477 PolarHBondContact O-N 3.02Å; T325-V477 HydrophobicContact CG2-CG2 4.12Å; W329-V477 HydrophobicContact CZ3-CG2 4.48Å; F468-V477 HydrophobicContact CB-CG1 3.67Å; F468-V477 HydrophobicContact CD2-CG1 3.51Å; F468-V477 HydrophobicContact CE2-CG1 4.43Å; F468-V477 HydrophobicContact CG-CG1 3.81Å; L469-V477 WeakPolarHBondContact O-CA 3.47Å; I470-V477 HydrophobicContact CD1-CG2 3.93Å; I470-V477 HydrophobicContact CG1-CB 4.42Å; I470-V477 HydrophobicContact CG1-CG1 4.22Å; I470-V477 HydrophobicContact CG1-CG2 3.89Å; V477-P479 WeakPolarHBondContact O-CD 3.49Å; V477-W496 HydrophobicContact CB-CZ2 4.32Å; V477-W496 HydrophobicContact CG1-CZ2 3.84Å; V477-W496 HydrophobicContact CG2-CZ2 4.15Å; V477-I517 HydrophobicContact CG2-CD1 4.04Å
478	M	89.5	Confident	83	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	99.3	175.2	-148.4	59.1	64.6	0	0	109.8	R183 A184 Q189 Y190 Y322 F468 L469	R183-M478 PolarHBondContact NH1-SD 3.38Å; R183-M478 PolarHBondContact NH2-SD 3.49Å; A184-M478 HydrophobicContact CB-CB 4.22Å; A184-M478 HydrophobicContact CB-CG 4.47Å; Q189-M478 VanDerWaalsContact C-CE 3.43Å; Q189-M478 HydrophobicContact CB-CE 3.91Å; Q189-M478 HydrophobicContact CB-SD 4.11Å; Q189-M478 WeakPolarHBondContact O-CE 3.36Å; Y190-M478 HydrophobicContact CD1-CE 3.56Å; Y190-M478 HydrophobicContact CD2-CE 3.62Å; Y190-M478 HydrophobicContact CE1-CB 4.35Å; Y190-M478 HydrophobicContact CE1-CE 3.62Å; Y190-M478 HydrophobicContact CE2-CE 3.71Å; Y190-M478 HydrophobicContact CG-CE 3.56Å; Y322-M478 HydrophobicContact CD2-CE 3.94Å; Y322-M478 HydrophobicContact CD2-SD 4.33Å; Y322-M478 HydrophobicContact CE2-CE 4.34Å; F468-M478 WeakPolarHBondContact CA-O 3.49Å; L469-M478 PolarHBondContact N-O 3.45Å; L469-M478 PolarHBondContact O-N 2.77Å
479	P	91.1	Very high	84.6	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	138.5	176.2	-20.7	33.4	0	0	0	110.9	R183 L323 V477 V481 E493 W496	R183-P479 PolarHBondContact NH1-O 2.98Å; L323-P479 HydrophobicContact CD1-CG 3.61Å; L323-P479 HydrophobicContact CG-CG 3.79Å; V477-P479 WeakPolarHBondContact O-CD 3.49Å; P479-V481 VanDerWaalsContact C-N 3.29Å; P479-V481 HydrophobicContact CB-CG2 3.97Å; P479-V481 PolarHBondContact O-N 3.29Å; P479-E493 HydrophobicContact CB-CG 4.08Å; P479-W496 HydrophobicContact CG-CG 4.44Å
480	R	91.7	Very high	85.9	Confident	24 Å²	24	32.7 Å²	32.7	9%	0.091	16%	0.156	C	C	.	.			trans	-92.3	61.5	178.9	-59.7	-177.4	172	163.1	-6.8	110.6	G180 F181 A184 Y185 T466 H467 I482	G180-R480 WeakPolarHBondContact O-CG 3.38Å; F181-R480 VanDerWaalsContact CD2-NH1 3.34Å; A184-R480 HydrophobicContact CB-CG 4.4Å; Y185-R480 PolarHBondContact OH-NH2 3.33Å; T466-R480 PolarHBondContact O-NH1 2.95Å; H467-R480 VanDerWaalsContact O-CB 3.25Å; H467-R480 WeakPolarHBondContact O-CB 3.09Å; H467-R480 VanDerWaalsContact O-CD 3.24Å; H467-R480 WeakPolarHBondContact O-CD 3.45Å; H467-R480 WeakPolarHBondContact O-CG 3.39Å; R480-I482 PolarHBondContact O-N 3.3Å
481	V	93.1	Very high	87.2	Confident	8 Å²	8	32.1 Å²	32.1	5%	0.048	16%	0.156	C	C	.	.			trans	-66.9	123	-175.5	-179.4	0	0	0	0	110.9	M318 S321 P479 A491 E493 M497	M318-V481 HydrophobicContact CG-CG1 4.43Å; S321-V481 VanDerWaalsContact OG-CG2 3.3Å; S321-V481 WeakPolarHBondContact OG-CG2 3.25Å; P479-V481 VanDerWaalsContact C-N 3.29Å; P479-V481 HydrophobicContact CB-CG2 3.97Å; P479-V481 PolarHBondContact O-N 3.29Å; V481-A491 HydrophobicContact CG1-CB 3.79Å; V481-E493 HydrophobicContact CG2-CB 4.2Å; V481-E493 HydrophobicContact CG2-CG 4.29Å; V481-M497 HydrophobicContact CB-CE 4.39Å; V481-M497 HydrophobicContact CG1-CE 3.69Å; V481-M497 HydrophobicContact CG2-CE 3.74Å
482	I	95	Very high	88.3	Confident	32 Å²	32	34.3 Å²	34.3	16%	0.164	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-89.1	104.8	165.8	-55.4	165.3	0	0	0	106.3	M203 S204 I207 R480 A484 G485 A491 V492	M203-I482 HydrophobicContact CE-CB 4.39Å; M203-I482 HydrophobicContact CE-CD1 3.4Å; M203-I482 VanDerWaalsContact CE-CD1 3.4Å; M203-I482 HydrophobicContact CE-CG1 3.61Å; M203-I482 HydrophobicContact CE-CG2 3.83Å; S204-I482 WeakPolarHBondContact OG-CG2 3.35Å; I207-I482 HydrophobicContact CD1-CG2 4.34Å; R480-I482 PolarHBondContact O-N 3.3Å; I482-A484 VanDerWaalsContact C-N 3.26Å; I482-A484 PolarHBondContact O-N 2.88Å; I482-G485 VanDerWaalsContact CG2-CA 3.49Å; I482-G485 PolarHBondContact O-N 2.59Å; I482-A491 CarbonylContact O-C 3.53Å; I482-A491 WeakPolarHBondContact O-CA 3.24Å; I482-V492 PolarHBondContact N-O 3.34Å; I482-V492 PolarHBondContact O-N 2.71Å
483	C	95	Very high	89.3	Confident	12 Å²	12	27.7 Å²	27.7	8%	0.081	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-36.2	-169	-70.5	0	0	0	0	113.3	S204 M315 M318 G319 A491	S204-C483 PolarHBondContact OG-N 3.36Å; S204-C483 VanDerWaalsContact OG-N 3.11Å; M315-C483 HydrophobicContact CB-CB 4.43Å; M315-C483 HydrophobicContact CE-CB 4.1Å; M315-C483 HydrophobicContact CG-CB 4.49Å; M315-C483 PolarHBondContact O-SG 3.16Å; M315-C483 VanDerWaalsContact O-SG 3.35Å; M318-C483 HydrophobicContact CE-CB 3.73Å; M318-C483 WeakPolarHBondContact CE-O 3.46Å; G319-C483 WeakPolarHBondContact CA-SG 3.42Å; G319-C483 PolarHBondContact N-SG 3.24Å; G319-C483 VanDerWaalsContact N-SG 3.38Å; C483-A491 WeakPolarHBondContact O-CA 3.5Å; C483-A491 PolarHBondContact O-N 3.29Å
484	A	95	Very high	90	Very high	1 Å²	1	23 Å²	23	1%	0.008	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.2	69.7	170.9	0	0	0	0	0	109.2	S204 I207 A208 M315 I482 T486 R489	S204-A484 PolarHBondContact OG-N 2.8Å; I207-A484 VanDerWaalsContact CB-O 3.29Å; I207-A484 WeakPolarHBondContact CB-O 3.08Å; I207-A484 VanDerWaalsContact CG2-O 3.26Å; I207-A484 WeakPolarHBondContact CG2-O 3.42Å; A208-A484 HydrophobicContact CB-CB 3.96Å; M315-A484 HydrophobicContact CE-CB 4.07Å; I482-A484 VanDerWaalsContact C-N 3.26Å; I482-A484 PolarHBondContact O-N 2.88Å; A484-T486 VanDerWaalsContact C-N 3.33Å; A484-R489 HydrophobicContact CB-CB 4.31Å
485	G	92.4	Very high	90.7	Very high	19 Å²	19	21.6 Å²	21.6	20%	0.196	13%	0.128	C	C	.	.			trans	-80	-12.3	-177.1	0	0	0	0	0	114.5	I482 R490	I482-G485 VanDerWaalsContact CG2-CA 3.49Å; I482-G485 PolarHBondContact O-N 2.59Å; G485-R490 PolarHBondContact N-O 3.39Å
486	T	93.1	Very high	90.8	Very high	45 Å²	45	20.3 Å²	20.3	28%	0.276	12%	0.119	S	C	.	.	S	Bend	trans	-121.5	161.8	175	74.2	0	0	0	0	111.8	A484 T488 R489 R490 V492	A484-T486 VanDerWaalsContact C-N 3.33Å; T486-T488 PolarHBondContact O-N 2.97Å; T486-T488 PolarHBondContact OG1-N 3.1Å; T486-T488 PolarHBondContact OG1-OG1 2.72Å; T486-R489 WeakPolarHBondContact O-CA 3.25Å; T486-R489 PolarHBondContact O-N 2.89Å; T486-R489 PolarHBondContact OG1-N 3.28Å; T486-R490 HydrophobicContact CG2-CB 4.37Å; T486-R490 PolarHBondContact N-O 3.23Å; T486-R490 PolarHBondContact OG1-N 3.45Å; T486-R490 VanDerWaalsContact OG1-N 3.08Å; T486-V492 HydrophobicContact CG2-CG2 3.56Å
487	V	92.2	Very high	90.8	Very high	20 Å²	20	21.2 Å²	21.2	12%	0.121	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-19.6	171.6	-67.6	0	0	0	0	113.9	G211 L212 R489 L715 W727	G211-V487 VanDerWaalsContact C-CG1 3.44Å; G211-V487 VanDerWaalsContact O-CG1 3.32Å; G211-V487 WeakPolarHBondContact O-CG1 3.21Å; L212-V487 VanDerWaalsContact C-CG1 3.44Å; L212-V487 WeakPolarHBondContact O-CG1 3.07Å; V487-R489 PolarHBondContact O-N 2.88Å; V487-L715 HydrophobicContact CB-CD1 3.67Å; V487-L715 HydrophobicContact CG1-CD1 3.91Å; V487-L715 HydrophobicContact CG2-CD1 3.7Å; V487-W727 VanDerWaalsContact O-CD1 3.31Å; V487-W727 PolarHBondContact O-NE1 3.3Å; V487-W727 VanDerWaalsContact O-NE1 3.17Å
488	T	92.6	Very high	90.5	Very high	13 Å²	13	25.5 Å²	25.5	8%	0.08	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-0.9	171.2	61	0	0	0	0	112.9	T486 W727 Q730 S731	T486-T488 PolarHBondContact O-N 2.97Å; T486-T488 PolarHBondContact OG1-N 3.1Å; T486-T488 PolarHBondContact OG1-OG1 2.72Å; T488-W727 HydrophobicContact CG2-CB 4.45Å; T488-Q730 HydrophobicContact CG2-CB 3.95Å; T488-Q730 PolarHBondContact OG1-OE1 3.15Å; T488-S731 WeakPolarHBondContact O-CA 3.37Å; T488-S731 WeakPolarHBondContact O-CB 3.38Å; T488-S731 PolarHBondContact O-OG 3.16Å
489	R	95.1	Very high	89.8	Confident	6 Å²	6	26.6 Å²	26.6	2%	0.023	16%	0.156	C	C	.	.			trans	68.4	14.1	-174.4	-54.3	178.7	-69.8	125.5	0.3	114.4	A208 A484 T486 V487 C709 S731 V734 D735	A208-R489 HydrophobicContact CB-CG 4.28Å; A484-R489 HydrophobicContact CB-CB 4.31Å; T486-R489 WeakPolarHBondContact O-CA 3.25Å; T486-R489 PolarHBondContact O-N 2.89Å; T486-R489 PolarHBondContact OG1-N 3.28Å; V487-R489 PolarHBondContact O-N 2.88Å; R489-C709 VanDerWaalsContact CZ-CB 3.43Å; R489-C709 VanDerWaalsContact CZ-SG 3.57Å; R489-C709 PolarHBondContact NH1-SG 3.03Å; R489-C709 VanDerWaalsContact NH2-CB 3.33Å; R489-S731 VanDerWaalsContact CZ-OG 3.23Å; R489-S731 PolarHBondContact NE-OG 2.87Å; R489-S731 PolarHBondContact NH2-O 3.34Å; R489-S731 PolarHBondContact NH2-OG 3.02Å; R489-V734 HydrophobicContact CB-CG1 4.08Å; R489-V734 HydrophobicContact CB-CG2 4.47Å; R489-V734 WeakPolarHBondContact O-CG1 3.29Å; R489-D735 IonicContact CZ-OD1 2.64Å; R489-D735 VanDerWaalsContact CZ-OD1 3.28Å; R489-D735 IonicContact NH1-OD1 2.98Å; R489-D735 PolarHBondContact NH1-OD1 2.89Å; R489-D735 IonicContact NH2-OD1 2.75Å; R489-D735 PolarHBondContact NH2-OD1 3.05Å; R489-D735 IonicContact NH2-OD2 2.78Å
490	R	94.3	Very high	88.9	Confident	77 Å²	77	30.3 Å²	30.3	29%	0.291	18%	0.182	S	C	.	.			trans	-66.4	142	173.8	-73.3	-175.2	175.8	-169.7	0.8	109.5	G485 T486 E534 V734	G485-R490 PolarHBondContact N-O 3.39Å; T486-R490 HydrophobicContact CG2-CB 4.37Å; T486-R490 PolarHBondContact N-O 3.23Å; T486-R490 PolarHBondContact OG1-N 3.45Å; T486-R490 VanDerWaalsContact OG1-N 3.08Å; R490-E534 IonicContact CZ-OE1 3.87Å; R490-E534 IonicContact NH2-OE1 3.98Å; R490-E534 PolarHBondContact NH2-OE1 2.9Å; R490-E534 IonicContact NH2-OE2 3.56Å; R490-E534 PolarHBondContact NH2-OE2 3.29Å; R490-V734 HydrophobicContact CB-CG2 4.42Å; R490-V734 HydrophobicContact CG-CG2 3.73Å
491	A	94.2	Very high	87.9	Confident	24 Å²	24	31.7 Å²	31.7	20%	0.198	19%	0.191	C	C	.	.			trans	-66.1	146.6	171.1	0	0	0	0	0	110.6	M318 V481 I482 C483 M497	M318-A491 HydrophobicContact CE-CB 4.07Å; M318-A491 HydrophobicContact CG-CB 4.42Å; M318-A491 HydrophobicContact SD-CB 3.59Å; M318-A491 VanDerWaalsContact SD-CB 3.59Å; V481-A491 HydrophobicContact CG1-CB 3.79Å; I482-A491 CarbonylContact O-C 3.53Å; I482-A491 WeakPolarHBondContact O-CA 3.24Å; C483-A491 WeakPolarHBondContact O-CA 3.5Å; C483-A491 PolarHBondContact O-N 3.29Å; A491-M497 HydrophobicContact CB-CE 3.77Å; A491-M497 HydrophobicContact CB-SD 3.99Å
492	V	92	Very high	86.5	Confident	54 Å²	54	33 Å²	33	33%	0.327	20%	0.2	S	C	.	.	B	Isolated β-bridge	trans	-129.1	130.8	177.9	-179.7	0	0	0	0	109.1	I482 T486	I482-V492 PolarHBondContact N-O 3.34Å; I482-V492 PolarHBondContact O-N 2.71Å; T486-V492 HydrophobicContact CG2-CG2 3.56Å
493	E	88.5	Confident	85.1	Confident	7 Å²	7	37.9 Å²	37.9	3%	0.033	22%	0.222	C	C	.	.			trans	-147.5	134.3	166.4	-160.6	-78	167	0	0	106.4	P479 V481 T495 W496 M497	P479-E493 HydrophobicContact CB-CG 4.08Å; V481-E493 HydrophobicContact CG2-CB 4.2Å; V481-E493 HydrophobicContact CG2-CG 4.29Å; E493-T495 VanDerWaalsContact C-N 3.32Å; E493-T495 PolarHBondContact O-N 2.9Å; E493-T495 WeakPolarHBondContact OE2-CA 3.31Å; E493-T495 PolarHBondContact OE2-N 3.28Å; E493-W496 PolarHBondContact OE2-N 3.48Å; E493-M497 HydrophobicContact CB-CB 4.42Å; E493-M497 HydrophobicContact CB-CG 4.02Å; E493-M497 HydrophobicContact CB-SD 3.89Å
494	S	82.3	Confident	83.5	Confident	53 Å²	53	42.1 Å²	42.1	37%	0.371	25%	0.248	S	C	.	.	S	Bend	trans	-77.3	-14.2	-164	55.7	0	0	0	0	115	H467 T498	H467-S494 WeakPolarHBondContact CB-OG 3.35Å; H467-S494 PolarHBondContact CD2-OG 3.38Å; S494-T498 PolarHBondContact O-OG1 3.13Å
495	T	83.2	Confident	81.7	Confident	27 Å²	27	50.3 Å²	50.3	17%	0.166	29%	0.285	C	S	.	.	S	Bend	trans	-115.9	-66.8	-175	-56.9	0	0	0	0	110.7	F468 E493 M497 T498 V499 L513	F468-T495 HydrophobicContact CD1-CG2 4.09Å; F468-T495 HydrophobicContact CE1-CG2 3.66Å; E493-T495 VanDerWaalsContact C-N 3.32Å; E493-T495 PolarHBondContact O-N 2.9Å; E493-T495 WeakPolarHBondContact OE2-CA 3.31Å; E493-T495 PolarHBondContact OE2-N 3.28Å; T495-M497 VanDerWaalsContact C-N 3.34Å; T495-M497 PolarHBondContact O-N 3.41Å; T495-T498 CarbonylContact O-C 3.46Å; T495-T498 PolarHBondContact O-N 3.25Å; T495-T498 VanDerWaalsContact O-N 3.09Å; T495-T498 PolarHBondContact O-OG1 3.4Å; T495-V499 HydrophobicContact CG2-CG2 4.17Å; T495-V499 WeakPolarHBondContact O-CB 3.27Å; T495-V499 WeakPolarHBondContact O-CG2 3.07Å; T495-V499 PolarHBondContact O-N 3.26Å; T495-L513 HydrophobicContact CG2-CD2 3.7Å
496	W	84.5	Confident	80.2	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.008	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-27.8	-170.3	-61.4	105	0	0	0	113.8	L323 W329 F468 V477 P479 E493 L513 I517 I759 I761	L323-W496 HydrophobicContact CD1-CB 4.1Å; L323-W496 HydrophobicContact CD1-CD2 3.27Å; L323-W496 HydrophobicContact CD1-CE3 3.59Å; L323-W496 HydrophobicContact CD1-CG 3.49Å; L323-W496 VanDerWaalsContact CD1-CG 3.49Å; L323-W496 HydrophobicContact CD1-CZ2 4.28Å; L323-W496 HydrophobicContact CD1-CZ3 4.22Å; W329-W496 AromaticContact CH2-CH2 3.5Å; W329-W496 HydrophobicContact CH2-CH2 3.5Å; W329-W496 AromaticContact CH2-CZ2 3.57Å; W329-W496 HydrophobicContact CH2-CZ2 3.57Å; W329-W496 AromaticContact CZ3-CH2 3.59Å; W329-W496 HydrophobicContact CZ3-CH2 3.59Å; W329-W496 HydrophobicContact CZ3-CZ2 4.01Å; F468-W496 AromaticContact CD1-NE1 3.61Å; F468-W496 AromaticContact CG-NE1 3.55Å; V477-W496 HydrophobicContact CB-CZ2 4.32Å; V477-W496 HydrophobicContact CG1-CZ2 3.84Å; V477-W496 HydrophobicContact CG2-CZ2 4.15Å; P479-W496 HydrophobicContact CG-CG 4.44Å; E493-W496 PolarHBondContact OE2-N 3.48Å; W496-L513 HydrophobicContact CH2-CD2 3.98Å; W496-L513 HydrophobicContact CH2-CG 3.9Å; W496-L513 HydrophobicContact CZ2-CD2 4.38Å; W496-L513 HydrophobicContact CZ3-CD2 4.16Å; W496-L513 HydrophobicContact CZ3-CG 4.13Å; W496-I517 HydrophobicContact CE3-CG1 4.27Å; W496-I517 HydrophobicContact CH2-CD1 3.43Å; W496-I517 VanDerWaalsContact CH2-CD1 3.43Å; W496-I517 HydrophobicContact CH2-CG1 3.58Å; W496-I517 HydrophobicContact CZ2-CD1 4.05Å; W496-I517 HydrophobicContact CZ3-CD1 3.84Å; W496-I517 HydrophobicContact CZ3-CG1 3.41Å; W496-I517 VanDerWaalsContact CZ3-CG1 3.41Å; W496-I759 HydrophobicContact CB-CD1 3.47Å; W496-I759 VanDerWaalsContact CB-CD1 3.47Å; W496-I759 HydrophobicContact CG-CD1 4.46Å; W496-I761 WeakPolarHBondContact O-CD1 3.45Å
497	M	84.1	Confident	78.7	Confident	21 Å²	21	59.2 Å²	59.2	10%	0.103	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-1.4	173.8	-63.9	179.6	175.3	0	0	113.4	V481 A491 E493 T495 I759 S760	V481-M497 HydrophobicContact CB-CE 4.39Å; V481-M497 HydrophobicContact CG1-CE 3.69Å; V481-M497 HydrophobicContact CG2-CE 3.74Å; A491-M497 HydrophobicContact CB-CE 3.77Å; A491-M497 HydrophobicContact CB-SD 3.99Å; E493-M497 HydrophobicContact CB-CB 4.42Å; E493-M497 HydrophobicContact CB-CG 4.02Å; E493-M497 HydrophobicContact CB-SD 3.89Å; T495-M497 VanDerWaalsContact C-N 3.34Å; T495-M497 PolarHBondContact O-N 3.41Å; M497-I759 HydrophobicContact CE-CG1 4.48Å; M497-I759 HydrophobicContact CG-CD1 4.45Å; M497-S760 WeakPolarHBondContact CE-O 3.36Å
498	T	81.3	Confident	77.4	Confident	91 Å²	91	67.7 Å²	67.7	56%	0.558	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.6	-13.6	-179.6	64	0	0	0	0	113.3	S494 T495 S500	S494-T498 PolarHBondContact O-OG1 3.13Å; T495-T498 CarbonylContact O-C 3.46Å; T495-T498 PolarHBondContact O-N 3.25Å; T495-T498 VanDerWaalsContact O-N 3.09Å; T495-T498 PolarHBondContact O-OG1 3.4Å; T498-S500 PolarHBondContact O-N 2.9Å; T498-S500 VanDerWaalsContact O-N 3.12Å
499	V	75.4	Confident	76.2	Confident	23 Å²	23	71.1 Å²	71.1	14%	0.139	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-57.7	118.4	179.8	159	0	0	0	0	110.3	T495 L513 K514	T495-V499 HydrophobicContact CG2-CG2 4.17Å; T495-V499 WeakPolarHBondContact O-CB 3.27Å; T495-V499 WeakPolarHBondContact O-CG2 3.07Å; T495-V499 PolarHBondContact O-N 3.26Å; V499-L513 HydrophobicContact CG1-CB 4.44Å; V499-L513 HydrophobicContact CG2-CB 4.27Å; V499-L513 HydrophobicContact CG2-CD2 3.79Å; V499-K514 HydrophobicContact CB-CG 4.43Å; V499-K514 HydrophobicContact CG1-CD 4.09Å; V499-K514 HydrophobicContact CG1-CG 3.41Å; V499-K514 VanDerWaalsContact CG1-CG 3.41Å; V499-K514 WeakPolarHBondContact O-CE 3.48Å
500	S	71.4	Confident	74.8	Confident	77 Å²	77	72.3 Å²	72.3	54%	0.538	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-71.5	151.3	171.3	52.7	0	0	0	0	110.7	T498	T498-S500 PolarHBondContact O-N 2.9Å; T498-S500 VanDerWaalsContact O-N 3.12Å
501	N	71.2	Confident	73.6	Confident	54 Å²	54	69 Å²	69	29%	0.289	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-78.2	150.3	168.5	-53.4	-56	0	0	0	109.1	K514 K819	N501-K514 PolarHBondContact OD1-NZ 3.3Å; N501-K819 WeakPolarHBondContact ND2-CD 3.26Å
502	P	64.6	Low	72.4	Confident	36 Å²	36	68.8 Å²	68.8	23%	0.234	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-62.6	138.6	175.8	25.6	-32.6	0	0	0	111	E512 F825	P502-E512 WeakPolarHBondContact CB-OE1 3.46Å; P502-E512 WeakPolarHBondContact CG-OE1 3.38Å; P502-F825 HydrophobicContact CB-CD1 4.41Å; P502-F825 HydrophobicContact CG-CB 3.99Å; P502-F825 HydrophobicContact CG-CD1 4.42Å; P502-F825 HydrophobicContact CG-CG 4.09Å
503	E	64.2	Low	71.7	Confident	133 Å²	133	67.2 Å²	67.2	62%	0.621	36%	0.359	S	S	*	.	B	Isolated β-bridge	trans	-95.9	136.5	169.6	-66.5	-159.7	176	0	0	109.5	H505 E506	E503-H505 PolarHBondContact O-N 3.35Å; E503-H505 VanDerWaalsContact O-N 3.09Å; E503-E506 CarbonylContact O-C 3.58Å; E503-E506 PolarHBondContact O-N 3.14Å
504	V	62.1	Low	71.2	Confident	102 Å²	102	67.6 Å²	67.6	62%	0.618	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-30.7	-174.9	-175.5	0	0	0	0	112.3	F825	V504-F825 HydrophobicContact CG2-CE2 4.15Å
505	H	57	Low	71.1	Confident	173 Å²	173	65.5 Å²	65.5	80%	0.801	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-12.2	-173.1	-57	-55.9	0	0	0	114.1	E503	E503-H505 PolarHBondContact O-N 3.35Å; E503-H505 VanDerWaalsContact O-N 3.09Å
506	E	60.7	Low	70.9	Confident	153 Å²	153	64.3 Å²	64.3	72%	0.715	34%	0.339	S	S	*	.	B	Isolated β-bridge	trans	-141	80.2	-179.4	-73.4	-170.7	177.6	0	0	110.4	E503 R508	E503-E506 CarbonylContact O-C 3.58Å; E503-E506 PolarHBondContact O-N 3.14Å; E506-R508 PolarHBondContact O-N 3.36Å
507	V	61.2	Low	71.1	Confident	97 Å²	97	64.2 Å²	64.2	59%	0.588	34%	0.339	S	S	*	.			trans	-72.3	97.2	177.5	-176.4	0	0	0	0	109.4	F825	V507-F825 HydrophobicContact CG2-CE1 4.23Å
508	R	65.3	Low	71.4	Confident	199 Å²	199	64.2 Å²	64.2	75%	0.751	34%	0.339	S	S	*	.			trans	-83.9	135.3	175.1	-161.2	177	-160.9	-179.6	6.1	110.4	E506 G510 S511	E506-R508 PolarHBondContact O-N 3.36Å; R508-G510 PolarHBondContact O-N 2.65Å; R508-S511 VanDerWaalsContact O-CB 3.31Å; R508-S511 WeakPolarHBondContact O-CB 3.26Å; R508-S511 PolarHBondContact O-N 2.78Å; R508-S511 PolarHBondContact O-OG 3.37Å
509	I	67.1	Low	71.8	Confident	85 Å²	85	60.4 Å²	60.4	44%	0.436	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	130.4	170.6	-62	175.1	0	0	0	108.9	C336 L343	C336-I509 HydrophobicContact CB-CG2 3.93Å; L343-I509 HydrophobicContact CD1-CD1 3.73Å
510	G	66	Low	72.5	Confident	30 Å²	30	61.1 Å²	61.1	31%	0.309	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.7	-8.6	-178	0	0	0	0	0	115.7	Y332 R508 E512 L513	Y332-G510 VanDerWaalsContact OH-CA 3.32Å; Y332-G510 WeakPolarHBondContact OH-CA 3.33Å; Y332-G510 PolarHBondContact OH-N 3.34Å; R508-G510 PolarHBondContact O-N 2.65Å; G510-E512 PolarHBondContact O-N 3.23Å; G510-L513 WeakPolarHBondContact O-CB 3.29Å; G510-L513 PolarHBondContact O-N 2.93Å
511	S	68.9	Low	73.2	Confident	7 Å²	7	64.7 Å²	64.7	5%	0.049	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-66.7	-25.6	174.2	59.1	0	0	0	0	112.7	R508 L513	R508-S511 VanDerWaalsContact O-CB 3.31Å; R508-S511 WeakPolarHBondContact O-CB 3.26Å; R508-S511 PolarHBondContact O-N 2.78Å; R508-S511 PolarHBondContact O-OG 3.37Å; S511-L513 PolarHBondContact O-N 3.33Å
512	E	69.5	Low	74.1	Confident	20 Å²	20	63.8 Å²	63.8	9%	0.093	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-78.3	3.3	176.6	-59.3	-57.7	148.1	0	0	114.5	Y332 P502 G510 K514 G515 F825	Y332-E512 HydrophobicContact CE2-CB 4.2Å; P502-E512 WeakPolarHBondContact CB-OE1 3.46Å; P502-E512 WeakPolarHBondContact CG-OE1 3.38Å; G510-E512 PolarHBondContact O-N 3.23Å; E512-K514 PolarHBondContact O-N 3.48Å; E512-K514 VanDerWaalsContact O-N 3.12Å; E512-G515 WeakPolarHBondContact O-CA 3.29Å; E512-G515 PolarHBondContact O-N 3.09Å; E512-F825 WeakPolarHBondContact OE1-CD1 3.44Å
513	L	77.2	Confident	75.5	Confident	22 Å²	22	63.8 Å²	63.8	12%	0.115	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-58.7	-33.5	-170	-161.4	74.4	0	0	0	113	W329 Y332 T495 W496 V499 G510 S511 G515 L516	W329-L513 HydrophobicContact CH2-CD1 3.55Å; W329-L513 HydrophobicContact CH2-CD2 4.39Å; W329-L513 HydrophobicContact CH2-CG 3.96Å; W329-L513 HydrophobicContact CZ2-CD1 4.16Å; W329-L513 HydrophobicContact CZ3-CD1 4.1Å; W329-L513 HydrophobicContact CZ3-CG 4.4Å; Y332-L513 HydrophobicContact CE1-CD1 4.07Å; T495-L513 HydrophobicContact CG2-CD2 3.7Å; W496-L513 HydrophobicContact CH2-CD2 3.98Å; W496-L513 HydrophobicContact CH2-CG 3.9Å; W496-L513 HydrophobicContact CZ2-CD2 4.38Å; W496-L513 HydrophobicContact CZ3-CD2 4.16Å; W496-L513 HydrophobicContact CZ3-CG 4.13Å; V499-L513 HydrophobicContact CG1-CB 4.44Å; V499-L513 HydrophobicContact CG2-CB 4.27Å; V499-L513 HydrophobicContact CG2-CD2 3.79Å; G510-L513 WeakPolarHBondContact O-CB 3.29Å; G510-L513 PolarHBondContact O-N 2.93Å; S511-L513 PolarHBondContact O-N 3.33Å; L513-G515 VanDerWaalsContact C-N 3.27Å; L513-G515 PolarHBondContact O-N 2.82Å; L513-L516 HydrophobicContact CD1-CD1 4Å; L513-L516 PolarHBondContact O-N 3.4Å
514	K	79.1	Confident	76.9	Confident	15 Å²	15	59.2 Å²	59.2	7%	0.065	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-61.5	-37.9	175.2	-60	-167.8	174.4	172.7	0	111.6	V499 N501 E512 L516 I517 L817	V499-K514 HydrophobicContact CB-CG 4.43Å; V499-K514 HydrophobicContact CG1-CD 4.09Å; V499-K514 HydrophobicContact CG1-CG 3.41Å; V499-K514 VanDerWaalsContact CG1-CG 3.41Å; V499-K514 WeakPolarHBondContact O-CE 3.48Å; N501-K514 PolarHBondContact OD1-NZ 3.3Å; E512-K514 PolarHBondContact O-N 3.48Å; E512-K514 VanDerWaalsContact O-N 3.12Å; K514-L516 PolarHBondContact O-N 3.39Å; K514-L516 VanDerWaalsContact O-N 3.1Å; K514-I517 WeakPolarHBondContact O-CB 3.5Å; K514-I517 PolarHBondContact O-N 3.31Å; K514-L817 CarbonylContact C-O 3.52Å; K514-L817 VanDerWaalsContact CB-O 3.25Å; K514-L817 WeakPolarHBondContact CB-O 3.47Å
515	G	78.4	Confident	78.4	Confident	8 Å²	8	54.4 Å²	54.4	8%	0.082	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-62.5	-17.8	-178.7	0	0	0	0	0	114.8	E512 L513 V816	E512-G515 WeakPolarHBondContact O-CA 3.29Å; E512-G515 PolarHBondContact O-N 3.09Å; L513-G515 VanDerWaalsContact C-N 3.27Å; L513-G515 PolarHBondContact O-N 2.82Å; G515-V816 VanDerWaalsContact O-CG1 3.25Å; G515-V816 WeakPolarHBondContact O-CG1 3.22Å
516	L	80.9	Confident	80.2	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.01	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-83.5	-15.9	175.5	-59.1	170.3	0	0	0	113.2	T325 W329 Y332 L513 K514 K518 P827	T325-L516 WeakPolarHBondContact CB-O 3.47Å; T325-L516 PolarHBondContact OG1-O 3.15Å; W329-L516 HydrophobicContact CD2-CD1 4.45Å; W329-L516 HydrophobicContact CE3-CB 3.68Å; W329-L516 HydrophobicContact CE3-CD1 3.82Å; W329-L516 HydrophobicContact CE3-CG 4.41Å; W329-L516 HydrophobicContact CZ3-CB 3.81Å; W329-L516 HydrophobicContact CZ3-CD1 3.82Å; Y332-L516 HydrophobicContact CD1-CD1 3.19Å; Y332-L516 HydrophobicContact CD1-CG 4.36Å; Y332-L516 HydrophobicContact CD2-CD1 3.99Å; Y332-L516 HydrophobicContact CD2-CD2 3.93Å; Y332-L516 HydrophobicContact CD2-CG 4.37Å; Y332-L516 HydrophobicContact CE1-CD1 3.61Å; Y332-L516 HydrophobicContact CE2-CD1 4.34Å; Y332-L516 HydrophobicContact CG-CD1 3.38Å; Y332-L516 HydrophobicContact CG-CD2 3.82Å; Y332-L516 HydrophobicContact CG-CG 4.14Å; L513-L516 HydrophobicContact CD1-CD1 4Å; L513-L516 PolarHBondContact O-N 3.4Å; K514-L516 PolarHBondContact O-N 3.39Å; K514-L516 VanDerWaalsContact O-N 3.1Å; L516-K518 PolarHBondContact O-N 2.83Å; L516-P827 HydrophobicContact CD2-CB 4.49Å; L516-P827 HydrophobicContact CD2-CG 3.91Å
517	I	88.2	Confident	81.8	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.208	C	C	.	.			trans	-80.5	111.1	174.4	-60.9	-49.7	0	0	0	107.5	L323 P324 W329 V477 W496 K514 F525 V816 L817	L323-I517 HydrophobicContact CB-CD1 3.96Å; L323-I517 HydrophobicContact CB-CG1 4.4Å; L323-I517 HydrophobicContact CB-CG2 4.12Å; L323-I517 HydrophobicContact CD1-CD1 4.49Å; L323-I517 HydrophobicContact CD1-CG1 4.5Å; L323-I517 HydrophobicContact CD2-CG2 4.16Å; P324-I517 CarbonylContact O-C 3.52Å; P324-I517 WeakPolarHBondContact O-CA 3.44Å; P324-I517 WeakPolarHBondContact O-CG2 3.16Å; W329-I517 HydrophobicContact CZ3-CD1 4.16Å; V477-I517 HydrophobicContact CG2-CD1 4.04Å; W496-I517 HydrophobicContact CE3-CG1 4.27Å; W496-I517 HydrophobicContact CH2-CD1 3.43Å; W496-I517 VanDerWaalsContact CH2-CD1 3.43Å; W496-I517 HydrophobicContact CH2-CG1 3.58Å; W496-I517 HydrophobicContact CZ2-CD1 4.05Å; W496-I517 HydrophobicContact CZ3-CD1 3.84Å; W496-I517 HydrophobicContact CZ3-CG1 3.41Å; W496-I517 VanDerWaalsContact CZ3-CG1 3.41Å; K514-I517 WeakPolarHBondContact O-CB 3.5Å; K514-I517 PolarHBondContact O-N 3.31Å; I517-F525 HydrophobicContact CG2-CE2 4.04Å; I517-F525 HydrophobicContact CG2-CZ 3.62Å; I517-V816 WeakPolarHBondContact O-CA 3.13Å; I517-L817 HydrophobicContact CB-CB 3.87Å; I517-L817 HydrophobicContact CB-CD2 4.26Å; I517-L817 HydrophobicContact CG2-CB 3.83Å; I517-L817 HydrophobicContact CG2-CD2 4.06Å; I517-L817 PolarHBondContact O-N 3.25Å
518	K	88.9	Confident	83.2	Confident	22 Å²	22	34.5 Å²	34.5	10%	0.096	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-128.7	131.2	-172.7	-60.7	-168.1	-168.1	159.4	0	110.6	P324 D326 L516 R815 V816	P324-K518 CarbonylContact C-O 3.5Å; P324-K518 WeakPolarHBondContact CB-O 3.33Å; P324-K518 WeakPolarHBondContact CG-O 3.33Å; P324-K518 PolarHBondContact O-N 3.34Å; D326-K518 WeakPolarHBondContact OD2-CD 3.41Å; D326-K518 IonicContact OD2-NZ 3.11Å; D326-K518 PolarHBondContact OD2-NZ 3.29Å; L516-K518 PolarHBondContact O-N 2.83Å; K518-R815 CarbonylContact C-O 3.59Å; K518-R815 VanDerWaalsContact CA-O 3.29Å; K518-R815 WeakPolarHBondContact CA-O 3.45Å; K518-V816 HydrophobicContact CG-CG2 4.18Å
519	A	90.4	Very high	84.2	Confident	11 Å²	11	27.8 Å²	27.8	9%	0.091	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-62.6	134.1	172.5	0	0	0	0	0	109.6	Y523 F525 L768 R815	A519-Y523 WeakPolarHBondContact CB-O 3.49Å; A519-F525 HydrophobicContact CB-CD2 4.12Å; A519-F525 HydrophobicContact CB-CE2 4.04Å; A519-L768 HydrophobicContact CB-CD1 3.74Å; A519-R815 PolarHBondContact N-O 3.29Å
520	P	89.9	Confident	85	Confident	38 Å²	38	23.8 Å²	23.8	25%	0.247	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-65.2	164.4	176.4	27.7	-32.9	0	0	0	110.9	I192 G522 Y523	I192-P520 HydrophobicContact CD1-CB 4.35Å; I192-P520 HydrophobicContact CD1-CG 3.86Å; P520-G522 PolarHBondContact O-N 2.98Å; P520-Y523 HydrophobicContact CG-CD2 3.89Å; P520-Y523 HydrophobicContact CG-CG 4.16Å; P520-Y523 PolarHBondContact O-N 3.28Å
521	L	86.4	Confident	85.5	Confident	152 Å²	152	26 Å²	26	80%	0.796	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	132.2	178.6	-166.1	73.1	0	0	0	110.6
522	G	91	Very high	86	Confident	34 Å²	34	28 Å²	28	35%	0.351	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	6	-175.9	0	0	0	0	0	114.8	P520 E771	P520-G522 PolarHBondContact O-N 2.98Å; G522-E771 WeakPolarHBondContact O-CB 3.33Å; G522-E771 PolarHBondContact O-N 2.83Å
523	Y	94	Very high	87	Confident	37 Å²	37	27.7 Å²	27.7	15%	0.145	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	160.3	175.9	-68.3	-100.6	0	0	0	112.2	I192 A519 P520 L768 V769	I192-Y523 HydrophobicContact CG2-CD1 4.08Å; I192-Y523 HydrophobicContact CG2-CD2 4.45Å; I192-Y523 HydrophobicContact CG2-CE1 3.56Å; I192-Y523 HydrophobicContact CG2-CE2 3.98Å; A519-Y523 WeakPolarHBondContact CB-O 3.49Å; P520-Y523 HydrophobicContact CG-CD2 3.89Å; P520-Y523 HydrophobicContact CG-CG 4.16Å; P520-Y523 PolarHBondContact O-N 3.28Å; Y523-L768 HydrophobicContact CD1-CD2 4.49Å; Y523-L768 HydrophobicContact CD1-CG 4.1Å; Y523-V769 CarbonylContact C-O 3.59Å; Y523-V769 VanDerWaalsContact CA-O 3.23Å; Y523-V769 WeakPolarHBondContact CA-O 3.08Å
524	R	93	Very high	87.6	Confident	36 Å²	36	27.9 Å²	27.9	14%	0.136	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	149.1	174.3	-65.2	-65.8	179.8	149.3	6.4	110.4	V769 E771 K774 I813 D814	R524-V769 PolarHBondContact N-O 3.21Å; R524-V769 PolarHBondContact O-N 3.13Å; R524-E771 WeakPolarHBondContact CD-OE2 3.42Å; R524-E771 VanDerWaalsContact CG-OE2 3.25Å; R524-E771 WeakPolarHBondContact CG-OE2 3.2Å; R524-E771 IonicContact CZ-OE1 2.77Å; R524-E771 IonicContact CZ-OE2 3.9Å; R524-E771 IonicContact NE-OE1 2.61Å; R524-E771 PolarHBondContact NE-OE1 3.48Å; R524-E771 IonicContact NE-OE2 3.87Å; R524-E771 PolarHBondContact NE-OE2 3.03Å; R524-E771 IonicContact NH2-OE1 3.59Å; R524-E771 PolarHBondContact NH2-OE1 2.91Å; R524-E771 IonicContact NH2-OE2 3.12Å; R524-K774 HydrophobicContact CB-CB 4.39Å; R524-K774 HydrophobicContact CG-CD 3.97Å; R524-I813 HydrophobicContact CB-CG2 4.02Å; R524-I813 HydrophobicContact CG-CG2 4.25Å; R524-D814 CarbonylContact C-O 3.57Å; R524-D814 WeakPolarHBondContact CA-O 3.25Å
525	F	94.4	Very high	88.1	Confident	1 Å²	1	27.4 Å²	27.4	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	135.7	160.7	-66.8	-64.4	0	0	0	109.6	P324 I517 A519 S758 Y767 L768 I813 D814 L817	P324-F525 HydrophobicContact CG-CE1 4.18Å; P324-F525 HydrophobicContact CG-CZ 3.64Å; I517-F525 HydrophobicContact CG2-CE2 4.04Å; I517-F525 HydrophobicContact CG2-CZ 3.62Å; A519-F525 HydrophobicContact CB-CD2 4.12Å; A519-F525 HydrophobicContact CB-CE2 4.04Å; F525-S758 WeakPolarHBondContact CE1-OG 3.48Å; F525-Y767 CarbonylContact C-O 3.55Å; F525-Y767 VanDerWaalsContact CA-O 3.29Å; F525-Y767 WeakPolarHBondContact CA-O 3.48Å; F525-L768 HydrophobicContact CD1-CB 4.48Å; F525-L768 HydrophobicContact CD1-CD1 4.12Å; F525-L768 HydrophobicContact CE1-CB 4.35Å; F525-L768 HydrophobicContact CE1-CD1 3.9Å; F525-L768 HydrophobicContact CZ-CD1 4.34Å; F525-I813 VanDerWaalsContact O-CA 3.3Å; F525-I813 WeakPolarHBondContact O-CA 3.32Å; F525-D814 PolarHBondContact N-O 3.33Å; F525-D814 PolarHBondContact O-N 2.93Å; F525-L817 HydrophobicContact CE2-CB 4.32Å
526	V	94.3	Very high	88.8	Confident	1 Å²	1	27.2 Å²	27.2	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	125.3	171	179.6	0	0	0	0	107.1	Y767 V769 K774 A777 A778 M811 E812 I813	V526-Y767 PolarHBondContact N-O 3.43Å; V526-Y767 PolarHBondContact O-N 3.07Å; V526-V769 HydrophobicContact CB-CG2 3.82Å; V526-V769 HydrophobicContact CG2-CB 3.94Å; V526-V769 HydrophobicContact CG2-CG2 3.65Å; V526-K774 HydrophobicContact CG2-CB 4.05Å; V526-A777 HydrophobicContact CG1-CB 4.5Å; V526-A778 HydrophobicContact CG1-CB 3.84Å; V526-M811 HydrophobicContact CG1-CE 3.67Å; V526-E812 WeakPolarHBondContact CA-O 3.4Å; V526-I813 HydrophobicContact CG2-CG1 4.35Å; V526-I813 HydrophobicContact CG2-CG2 4.49Å
527	G	93.8	Very high	89.4	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.5	-179.9	177.6	0	0	0	0	0	113.3	V765 E812	G527-V765 WeakPolarHBondContact CA-O 3.22Å; G527-E812 PolarHBondContact N-O 3.24Å; G527-E812 VanDerWaalsContact N-O 3.07Å; G527-E812 PolarHBondContact O-N 3.41Å
528	S	90.7	Very high	89.6	Confident	4 Å²	4	27.1 Å²	27.1	3%	0.028	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	162.7	178.3	-169.5	0	0	0	0	110.3	V765 F808 Q810	S528-V765 PolarHBondContact N-O 2.84Å; S528-V765 PolarHBondContact O-N 3.3Å; S528-V765 VanDerWaalsContact O-N 3.1Å; S528-F808 VanDerWaalsContact OG-CD1 3.24Å; S528-F808 WeakPolarHBondContact OG-CD1 3.48Å; S528-F808 WeakPolarHBondContact OG-CG 3.45Å; S528-Q810 WeakPolarHBondContact CB-O 3.35Å; S528-Q810 PolarHBondContact OG-O 2.98Å
529	D	87.2	Confident	89.7	Confident	58 Å²	58	26.1 Å²	26.1	31%	0.31	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	133	170.6	-175.9	1.8	0	0	0	109.5	D531 D763 F808	D529-D531 PolarHBondContact O-N 3.2Å; D529-D763 WeakPolarHBondContact OD1-CB 3.37Å; D529-F808 WeakPolarHBondContact O-CD1 3.17Å
530	V	83.2	Confident	89.8	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.006	14%	0.144	C	C	.	.			trans	-81	95.4	174.5	-174	0	0	0	0	109.6	S532 Q533 Y736 M740 D763 R789 F808	V530-S532 PolarHBondContact O-N 3.17Å; V530-S532 VanDerWaalsContact O-N 3.12Å; V530-Q533 HydrophobicContact CB-CB 4.04Å; V530-Q533 HydrophobicContact CB-CG 4.4Å; V530-Q533 HydrophobicContact CG1-CB 3.68Å; V530-Q533 HydrophobicContact CG1-CG 3.89Å; V530-Q533 PolarHBondContact O-N 2.97Å; V530-Y736 HydrophobicContact CG1-CE1 4.12Å; V530-Y736 HydrophobicContact CG2-CE1 4.16Å; V530-M740 HydrophobicContact CG2-CE 4.4Å; V530-M740 HydrophobicContact CG2-SD 3.99Å; V530-D763 HydrophobicContact CB-CB 4.46Å; V530-D763 PolarHBondContact N-O 3.38Å; V530-R789 VanDerWaalsContact CG1-NH2 3.29Å; V530-F808 HydrophobicContact CB-CE1 4.23Å; V530-F808 HydrophobicContact CG2-CE1 3.54Å; V530-F808 HydrophobicContact CG2-CZ 4.04Å
531	D	76.4	Confident	90	Very high	78 Å²	78	23.9 Å²	23.9	42%	0.417	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	120	177.9	-72	-54.6	0	0	0	112.8	D529 Q533 R789 S809	D529-D531 PolarHBondContact O-N 3.2Å; D531-Q533 PolarHBondContact O-N 3.27Å; D531-Q533 VanDerWaalsContact O-N 3.15Å; D531-R789 PolarHBondContact O-NH2 3.22Å; D531-S809 WeakPolarHBondContact OD2-CB 3.48Å; D531-S809 PolarHBondContact OD2-OG 3.24Å
532	S	80.3	Confident	90.1	Very high	48 Å²	48	16.6 Å²	16.6	34%	0.336	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	36	173.9	-63.1	0	0	0	0	113.8	V530 E534 L535 W536	V530-S532 PolarHBondContact O-N 3.17Å; V530-S532 VanDerWaalsContact O-N 3.12Å; S532-E534 PolarHBondContact O-N 3.47Å; S532-L535 PolarHBondContact O-N 3.45Å; S532-W536 PolarHBondContact O-N 3.12Å
533	Q	89.1	Confident	90.1	Very high	14 Å²	14	15 Å²	15	7%	0.065	8%	0.078	C	C	.	.	H	α-helix	trans	-47.1	-56.8	-174.5	-173.6	-172.9	50.9	0	0	113.3	V530 D531 L535 W536 I537 Y736	V530-Q533 HydrophobicContact CB-CB 4.04Å; V530-Q533 HydrophobicContact CB-CG 4.4Å; V530-Q533 HydrophobicContact CG1-CB 3.68Å; V530-Q533 HydrophobicContact CG1-CG 3.89Å; V530-Q533 PolarHBondContact O-N 2.97Å; D531-Q533 PolarHBondContact O-N 3.27Å; D531-Q533 VanDerWaalsContact O-N 3.15Å; Q533-L535 VanDerWaalsContact C-N 3.34Å; Q533-L535 PolarHBondContact O-N 2.84Å; Q533-W536 PolarHBondContact O-N 3.26Å; Q533-I537 HydrophobicContact CG-CD1 4.17Å; Q533-I537 WeakPolarHBondContact O-CG1 3.23Å; Q533-I537 PolarHBondContact O-N 3.18Å; Q533-Y736 HydrophobicContact CG-CD1 4.48Å; Q533-Y736 HydrophobicContact CG-CD2 4.4Å; Q533-Y736 HydrophobicContact CG-CG 4.33Å; Q533-Y736 VanDerWaalsContact NE2-CG 3.33Å
534	E	91.1	Very high	89.9	Confident	26 Å²	26	14.3 Å²	14.3	12%	0.121	8%	0.078	C	C	.	.	H	α-helix	trans	-68.3	-36.3	-174.9	-54.4	-157.5	110.2	0	0	112.2	R490 S532 I537 A538 Y590 Y594 V729 A733	R490-E534 IonicContact CZ-OE1 3.87Å; R490-E534 IonicContact NH2-OE1 3.98Å; R490-E534 PolarHBondContact NH2-OE1 2.9Å; R490-E534 IonicContact NH2-OE2 3.56Å; R490-E534 PolarHBondContact NH2-OE2 3.29Å; S532-E534 PolarHBondContact O-N 3.47Å; E534-I537 PolarHBondContact O-N 2.85Å; E534-A538 WeakPolarHBondContact O-CB 3.32Å; E534-A538 PolarHBondContact O-N 3.16Å; E534-Y590 HydrophobicContact CB-CE1 4.42Å; E534-Y594 WeakPolarHBondContact CB-OH 3.4Å; E534-Y594 PolarHBondContact OE2-OH 2.7Å; E534-V729 HydrophobicContact CB-CG1 3.82Å; E534-V729 WeakPolarHBondContact O-CG1 3.12Å; E534-A733 HydrophobicContact CG-CB 4.04Å
535	L	89.4	Confident	89.5	Confident	5 Å²	5	17.2 Å²	17.2	3%	0.026	9%	0.089	C	C	.	.	H	α-helix	trans	-68.3	-38.5	177.4	176.9	61.9	0	0	0	111	S532 Q533 A538 A539 L559 M593	S532-L535 PolarHBondContact O-N 3.45Å; Q533-L535 VanDerWaalsContact C-N 3.34Å; Q533-L535 PolarHBondContact O-N 2.84Å; L535-A538 PolarHBondContact O-N 2.88Å; L535-A539 WeakPolarHBondContact O-CB 3.49Å; L535-A539 PolarHBondContact O-N 3.3Å; L535-L559 HydrophobicContact CB-CD1 4.06Å; L535-L559 HydrophobicContact CD1-CD1 4.38Å; L535-L559 HydrophobicContact CD2-CD1 3.51Å; L535-L559 HydrophobicContact CG-CD1 3.34Å; L535-M593 HydrophobicContact CB-CE 4.04Å; L535-M593 HydrophobicContact CD1-CE 3.18Å; L535-M593 HydrophobicContact CD1-SD 3.19Å; L535-M593 WeakPolarHBondContact CD1-SD 3.37Å; L535-M593 HydrophobicContact CG-CE 4.1Å
536	W	92.7	Very high	88.9	Confident	3 Å²	3	19.4 Å²	19.4	1%	0.011	10%	0.104	C	C	.	.	H	α-helix	trans	-64.8	-44.3	173	175.5	75.2	0	0	0	111.7	S532 Q533 A538 A539 L540 H550 L559 Y736 R789 F792 L801	S532-W536 PolarHBondContact O-N 3.12Å; Q533-W536 PolarHBondContact O-N 3.26Å; W536-A538 VanDerWaalsContact C-N 3.33Å; W536-A538 PolarHBondContact O-N 2.94Å; W536-A539 PolarHBondContact O-N 3.5Å; W536-L540 HydrophobicContact CH2-CD2 3.69Å; W536-L540 HydrophobicContact CZ2-CD1 4.43Å; W536-L540 HydrophobicContact CZ2-CD2 3.89Å; W536-L540 HydrophobicContact CZ3-CD2 4.15Å; W536-L540 WeakPolarHBondContact O-CB 3.32Å; W536-L540 PolarHBondContact O-N 2.91Å; W536-H550 AromaticContact CZ2-NE2 3.92Å; W536-H550 AromaticContact NE1-NE2 3.9Å; W536-L559 HydrophobicContact CB-CD2 4.06Å; W536-L559 HydrophobicContact CG-CD2 4.3Å; W536-Y736 HydrophobicContact CE3-CE2 4.14Å; W536-Y736 HydrophobicContact CZ3-CD2 4.2Å; W536-Y736 AromaticContact CZ3-CE2 3.71Å; W536-Y736 HydrophobicContact CZ3-CE2 3.71Å; W536-R789 HydrophobicContact CH2-CB 3.79Å; W536-R789 HydrophobicContact CH2-CG 3.82Å; W536-R789 HydrophobicContact CZ2-CB 4.03Å; W536-R789 HydrophobicContact CZ2-CG 4.14Å; W536-R789 HydrophobicContact CZ3-CB 4.49Å; W536-R789 HydrophobicContact CZ3-CG 4.05Å; W536-F792 HydrophobicContact CH2-CB 3.7Å; W536-F792 HydrophobicContact CH2-CG 4.47Å; W536-F792 HydrophobicContact CZ3-CB 3.97Å; W536-F792 HydrophobicContact CZ3-CD1 4.22Å; W536-F792 HydrophobicContact CZ3-CG 4.27Å; W536-L801 HydrophobicContact CZ2-CD1 4.14Å
537	I	93.9	Very high	88.4	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59	-45.6	175.9	-69.8	169.7	0	0	0	110.7	Q533 E534 L540 F541 V729 A733 Y736 F792	Q533-I537 HydrophobicContact CG-CD1 4.17Å; Q533-I537 WeakPolarHBondContact O-CG1 3.23Å; Q533-I537 PolarHBondContact O-N 3.18Å; E534-I537 PolarHBondContact O-N 2.85Å; I537-L540 WeakPolarHBondContact O-CB 3.45Å; I537-L540 PolarHBondContact O-N 2.82Å; I537-F541 HydrophobicContact CG2-CD2 4.3Å; I537-F541 HydrophobicContact CG2-CE1 4.25Å; I537-F541 HydrophobicContact CG2-CE2 3.53Å; I537-F541 HydrophobicContact CG2-CZ 3.5Å; I537-F541 VanDerWaalsContact CG2-CZ 3.5Å; I537-F541 WeakPolarHBondContact O-CD2 3.34Å; I537-F541 WeakPolarHBondContact O-CG 3.07Å; I537-F541 PolarHBondContact O-N 3.35Å; I537-F541 VanDerWaalsContact O-N 3.13Å; I537-V729 HydrophobicContact CG2-CG1 4.48Å; I537-A733 HydrophobicContact CD1-CB 4.18Å; I537-Y736 HydrophobicContact CD1-CD2 4.26Å; I537-F792 HydrophobicContact CD1-CE1 4.06Å; I537-F792 HydrophobicContact CG1-CD1 4.28Å; I537-F792 HydrophobicContact CG1-CE1 4.21Å
538	A	91.5	Very high	88	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.008	15%	0.152	C	C	.	.	H	α-helix	trans	-63	-44.9	178.2	0	0	0	0	0	111.8	E534 L535 W536 L540 F541 G542 M689 V729	E534-A538 WeakPolarHBondContact O-CB 3.32Å; E534-A538 PolarHBondContact O-N 3.16Å; L535-A538 PolarHBondContact O-N 2.88Å; W536-A538 VanDerWaalsContact C-N 3.33Å; W536-A538 PolarHBondContact O-N 2.94Å; A538-L540 VanDerWaalsContact C-N 3.29Å; A538-L540 PolarHBondContact O-N 3.43Å; A538-F541 PolarHBondContact O-N 3.29Å; A538-G542 PolarHBondContact O-N 2.78Å; A538-M689 HydrophobicContact CB-CG 4.31Å; A538-M689 HydrophobicContact CB-SD 3.67Å; A538-M689 WeakPolarHBondContact O-CG 3.49Å; A538-V729 HydrophobicContact CB-CG2 4.17Å
539	A	91.3	Very high	87.9	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-58.9	-40.9	174.4	0	0	0	0	0	112.3	L535 W536 F541 G542 D543	L535-A539 WeakPolarHBondContact O-CB 3.49Å; L535-A539 PolarHBondContact O-N 3.3Å; W536-A539 PolarHBondContact O-N 3.5Å; A539-F541 VanDerWaalsContact C-N 3.32Å; A539-F541 PolarHBondContact O-N 3.19Å; A539-G542 PolarHBondContact O-N 3.41Å; A539-G542 VanDerWaalsContact O-N 3.14Å; A539-D543 PolarHBondContact O-N 2.99Å
540	L	93.3	Very high	88.1	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-62.3	-37.7	178.7	-167.5	65.3	0	0	0	112.2	W536 I537 A538 D543 S544 H550 F792 L796 L798	W536-L540 HydrophobicContact CH2-CD2 3.69Å; W536-L540 HydrophobicContact CZ2-CD1 4.43Å; W536-L540 HydrophobicContact CZ2-CD2 3.89Å; W536-L540 HydrophobicContact CZ3-CD2 4.15Å; W536-L540 WeakPolarHBondContact O-CB 3.32Å; W536-L540 PolarHBondContact O-N 2.91Å; I537-L540 WeakPolarHBondContact O-CB 3.45Å; I537-L540 PolarHBondContact O-N 2.82Å; A538-L540 VanDerWaalsContact C-N 3.29Å; A538-L540 PolarHBondContact O-N 3.43Å; L540-D543 PolarHBondContact O-N 2.88Å; L540-S544 WeakPolarHBondContact O-CB 3.39Å; L540-S544 PolarHBondContact O-N 2.96Å; L540-H550 VanDerWaalsContact CD1-NE2 3.33Å; L540-H550 WeakPolarHBondContact CD1-NE2 3.46Å; L540-F792 HydrophobicContact CD2-CB 4.07Å; L540-L796 HydrophobicContact CB-CD1 4.27Å; L540-L796 HydrophobicContact CD2-CD1 3.49Å; L540-L796 VanDerWaalsContact CD2-CD1 3.49Å; L540-L796 HydrophobicContact CG-CD1 3.54Å; L540-L798 HydrophobicContact CD1-CD1 3.78Å; L540-L798 HydrophobicContact CD1-CD2 3.74Å; L540-L798 HydrophobicContact CD1-CG 4.3Å; L540-L798 HydrophobicContact CG-CD1 4.31Å
541	F	92.6	Very high	88.3	Confident	1 Å²	1	33.5 Å²	33.5	0%	0.004	17%	0.168	C	C	.	.	H	α-helix	trans	-63.5	-42	173.7	-62	-35.1	0	0	0	112.1	I537 A538 A539 S544 R545 A692 L693 P705 V728 V729 L796	I537-F541 HydrophobicContact CG2-CD2 4.3Å; I537-F541 HydrophobicContact CG2-CE1 4.25Å; I537-F541 HydrophobicContact CG2-CE2 3.53Å; I537-F541 HydrophobicContact CG2-CZ 3.5Å; I537-F541 VanDerWaalsContact CG2-CZ 3.5Å; I537-F541 WeakPolarHBondContact O-CD2 3.34Å; I537-F541 WeakPolarHBondContact O-CG 3.07Å; I537-F541 PolarHBondContact O-N 3.35Å; I537-F541 VanDerWaalsContact O-N 3.13Å; A538-F541 PolarHBondContact O-N 3.29Å; A539-F541 VanDerWaalsContact C-N 3.32Å; A539-F541 PolarHBondContact O-N 3.19Å; F541-S544 PolarHBondContact O-N 3.46Å; F541-S544 PolarHBondContact O-OG 3.43Å; F541-R545 PolarHBondContact O-N 2.86Å; F541-A692 HydrophobicContact CB-CB 3.98Å; F541-A692 WeakPolarHBondContact O-CB 3.1Å; F541-L693 HydrophobicContact CD2-CD2 3.45Å; F541-L693 VanDerWaalsContact CD2-CD2 3.45Å; F541-L693 HydrophobicContact CD2-CG 4.35Å; F541-L693 HydrophobicContact CE2-CD2 3.86Å; F541-L693 HydrophobicContact CG-CD2 4.49Å; F541-P705 HydrophobicContact CD1-CG 4.27Å; F541-P705 HydrophobicContact CE1-CB 4.17Å; F541-P705 HydrophobicContact CE1-CG 3.56Å; F541-P705 HydrophobicContact CZ-CG 3.99Å; F541-V728 HydrophobicContact CE2-CG1 3.94Å; F541-V728 HydrophobicContact CZ-CG1 4.38Å; F541-V729 HydrophobicContact CE2-CG2 4.48Å; F541-L796 HydrophobicContact CD1-CD1 3.63Å; F541-L796 HydrophobicContact CD1-CD2 3.92Å; F541-L796 HydrophobicContact CD1-CG 4.45Å; F541-L796 HydrophobicContact CE1-CD1 3.74Å; F541-L796 HydrophobicContact CE1-CD2 4.1Å
542	G	89.2	Confident	88.8	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59.7	-50.1	173.7	0	0	0	0	0	112.1	A538 A539 S544 R545 S546	A538-G542 PolarHBondContact O-N 2.78Å; A539-G542 PolarHBondContact O-N 3.41Å; A539-G542 VanDerWaalsContact O-N 3.14Å; G542-S544 VanDerWaalsContact C-N 3.29Å; G542-S544 PolarHBondContact O-N 3.23Å; G542-R545 PolarHBondContact O-N 2.81Å; G542-S546 PolarHBondContact O-N 2.74Å; G542-S546 VanDerWaalsContact O-N 3.16Å
543	D	90.6	Very high	89.1	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.1	-37.8	179.2	-71.9	-14.7	0	0	0	112.5	A539 L540 R545 S546 L547 R548 H550 G551 C552 T553 S556 L798	A539-D543 PolarHBondContact O-N 2.99Å; L540-D543 PolarHBondContact O-N 2.88Å; D543-R545 VanDerWaalsContact C-N 3.3Å; D543-R545 PolarHBondContact O-N 2.71Å; D543-S546 PolarHBondContact O-N 3.16Å; D543-L547 PolarHBondContact O-N 3.21Å; D543-R548 WeakPolarHBondContact O-CA 3.36Å; D543-R548 PolarHBondContact O-N 2.99Å; D543-H550 WeakPolarHBondContact OD2-CA 3.25Å; D543-G551 PolarHBondContact OD2-N 3.32Å; D543-C552 PolarHBondContact OD1-N 2.85Å; D543-C552 PolarHBondContact OD1-SG 3.46Å; D543-T553 WeakPolarHBondContact OD1-CB 3.41Å; D543-T553 WeakPolarHBondContact OD1-CG2 3.24Å; D543-T553 PolarHBondContact OD1-N 2.98Å; D543-T553 PolarHBondContact OD1-OG1 3.44Å; D543-S556 VanDerWaalsContact CG-CB 3.45Å; D543-S556 WeakPolarHBondContact OD1-CB 3.24Å; D543-S556 WeakPolarHBondContact OD2-CB 3.43Å; D543-S556 PolarHBondContact OD2-OG 3.26Å; D543-L798 HydrophobicContact CB-CD2 4.03Å
544	S	90.4	Very high	88.8	Confident	22 Å²	22	30 Å²	30	15%	0.154	15%	0.149	C	C	.	.	H	α-helix	trans	-64.4	-32.2	179.6	77.1	0	0	0	0	113.6	L540 F541 G542 R548 L796	L540-S544 WeakPolarHBondContact O-CB 3.39Å; L540-S544 PolarHBondContact O-N 2.96Å; F541-S544 PolarHBondContact O-N 3.46Å; F541-S544 PolarHBondContact O-OG 3.43Å; G542-S544 VanDerWaalsContact C-N 3.29Å; G542-S544 PolarHBondContact O-N 3.23Å; S544-R548 WeakPolarHBondContact O-CG 3.48Å; S544-L796 WeakPolarHBondContact CB-O 3.46Å
545	R	84.6	Confident	88.5	Confident	98 Å²	98	28.8 Å²	28.8	37%	0.37	14%	0.144	S	C	.	.	H	α-helix	trans	-84	-24.5	178.8	-170.1	167.6	-179.9	90.5	0.4	112.4	F541 G542 D543 A692	F541-R545 PolarHBondContact O-N 2.86Å; G542-R545 PolarHBondContact O-N 2.81Å; D543-R545 VanDerWaalsContact C-N 3.3Å; D543-R545 PolarHBondContact O-N 2.71Å; R545-A692 HydrophobicContact CB-CB 4.2Å
546	S	81.4	Confident	88.4	Confident	46 Å²	46	28.6 Å²	28.6	32%	0.322	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-108.8	178.5	-170.2	0	0	0	0	111	G542 D543	G542-S546 PolarHBondContact O-N 2.74Å; G542-S546 VanDerWaalsContact O-N 3.16Å; D543-S546 PolarHBondContact O-N 3.16Å
547	L	82.9	Confident	88.2	Confident	79 Å²	79	33.1 Å²	33.1	41%	0.414	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	0.2	-175.1	-62.1	178	0	0	0	114.5	Y4 D543 I549 C552	Y4-L547 HydrophobicContact CD1-CD1 4.49Å; D543-L547 PolarHBondContact O-N 3.21Å; L547-I549 PolarHBondContact O-N 3.44Å; L547-C552 HydrophobicContact CB-CB 3.96Å; L547-C552 HydrophobicContact CD1-CB 4.15Å; L547-C552 HydrophobicContact CG-CB 4.34Å
548	R	87.2	Confident	87.8	Confident	156 Å²	156	35.3 Å²	35.3	59%	0.589	17%	0.171	S	C	*	.	S	Bend	trans	56	33.5	-174.1	-60.7	-179.8	-179.2	-176	1.7	113.6	D543 S544	D543-R548 WeakPolarHBondContact O-CA 3.36Å; D543-R548 PolarHBondContact O-N 2.99Å; S544-R548 WeakPolarHBondContact O-CG 3.48Å
549	I	88.2	Confident	87.6	Confident	96 Å²	96	37 Å²	37	49%	0.492	18%	0.179	S	C	.	.	S	Bend	trans	-127.2	136.7	174.6	-61.9	171.9	0	0	0	107.6	L547 G551 C552	L547-I549 PolarHBondContact O-N 3.44Å; I549-G551 PolarHBondContact O-N 2.79Å; I549-C552 WeakPolarHBondContact O-CB 3.37Å; I549-C552 PolarHBondContact O-N 2.85Å; I549-C552 PolarHBondContact O-SG 3.14Å
550	H	90	Very high	87.4	Confident	20 Å²	20	38.7 Å²	38.7	9%	0.093	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	133.7	177.1	-81.6	92	0	0	0	110.9	W536 L540 D543 C552 L560 S800 P802	W536-H550 AromaticContact CZ2-NE2 3.92Å; W536-H550 AromaticContact NE1-NE2 3.9Å; L540-H550 VanDerWaalsContact CD1-NE2 3.33Å; L540-H550 WeakPolarHBondContact CD1-NE2 3.46Å; D543-H550 WeakPolarHBondContact OD2-CA 3.25Å; H550-C552 VanDerWaalsContact C-N 3.3Å; H550-C552 PolarHBondContact O-N 3.29Å; H550-L560 HydrophobicContact CB-CD1 4.06Å; H550-S800 PolarHBondContact CE1-O 3.01Å; H550-S800 PolarHBondContact ND1-O 2.9Å; H550-P802 HydrophobicContact CB-CG 3.54Å; H550-P802 VanDerWaalsContact CG-CD 3.5Å
551	G	89	Confident	87.1	Confident	9 Å²	9	44.9 Å²	44.9	9%	0.093	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	8.4	177.7	0	0	0	0	0	114.2	D543 I549 T553 S556	D543-G551 PolarHBondContact OD2-N 3.32Å; I549-G551 PolarHBondContact O-N 2.79Å; G551-T553 VanDerWaalsContact C-N 3.3Å; G551-S556 WeakPolarHBondContact CA-OG 3.46Å; G551-S556 PolarHBondContact N-OG 2.79Å; G551-S556 VanDerWaalsContact N-OG 3.11Å
552	C	85.9	Confident	86.6	Confident	23 Å²	23	46 Å²	46	16%	0.155	23%	0.228	C	C	.	.			trans	-72.7	-25	177.7	68.4	0	0	0	0	112.9	D543 L547 I549 H550	D543-C552 PolarHBondContact OD1-N 2.85Å; D543-C552 PolarHBondContact OD1-SG 3.46Å; L547-C552 HydrophobicContact CB-CB 3.96Å; L547-C552 HydrophobicContact CD1-CB 4.15Å; L547-C552 HydrophobicContact CG-CB 4.34Å; I549-C552 WeakPolarHBondContact O-CB 3.37Å; I549-C552 PolarHBondContact O-N 2.85Å; I549-C552 PolarHBondContact O-SG 3.14Å; H550-C552 VanDerWaalsContact C-N 3.3Å; H550-C552 PolarHBondContact O-N 3.29Å
553	T	85.8	Confident	86.2	Confident	3 Å²	3	49.3 Å²	49.3	2%	0.018	25%	0.245	C	C	.	.	S	Bend	trans	-90.4	146.1	171	62.7	0	0	0	0	111.2	D543 G551 N555 S556 W557 D688	D543-T553 WeakPolarHBondContact OD1-CB 3.41Å; D543-T553 WeakPolarHBondContact OD1-CG2 3.24Å; D543-T553 PolarHBondContact OD1-N 2.98Å; D543-T553 PolarHBondContact OD1-OG1 3.44Å; G551-T553 VanDerWaalsContact C-N 3.3Å; T553-N555 VanDerWaalsContact C-N 3.25Å; T553-N555 PolarHBondContact O-N 2.99Å; T553-S556 PolarHBondContact O-N 3.02Å; T553-S556 VanDerWaalsContact O-N 3.09Å; T553-S556 VanDerWaalsContact OG1-CB 3.26Å; T553-S556 WeakPolarHBondContact OG1-CB 3.3Å; T553-S556 PolarHBondContact OG1-N 3.44Å; T553-W557 PolarHBondContact O-N 2.87Å; T553-D688 HydrophobicContact CG2-CB 3.91Å
554	P	83.9	Confident	85.7	Confident	40 Å²	40	57.1 Å²	57.1	26%	0.26	28%	0.275	S	S	.	.	H	α-helix	trans	-58.1	-34.4	178.4	-28.5	36.8	0	0	0	114.1	T12 W557 M558 S685	T12-P554 HydrophobicContact CG2-CB 4.1Å; T12-P554 HydrophobicContact CG2-CG 4.34Å; P554-W557 PolarHBondContact O-N 3.15Å; P554-M558 WeakPolarHBondContact O-CB 3.07Å; P554-M558 PolarHBondContact O-N 3.29Å; P554-S685 WeakPolarHBondContact CD-O 3.33Å
555	N	84.3	Confident	85.4	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-59.5	-51.2	173.1	-170.7	41.8	0	0	0	111.6	T553 M558 L559 Q570 S685 E686 M689	T553-N555 VanDerWaalsContact C-N 3.25Å; T553-N555 PolarHBondContact O-N 2.99Å; N555-M558 PolarHBondContact O-N 3.07Å; N555-L559 PolarHBondContact O-N 3.16Å; N555-Q570 PolarHBondContact OD1-NE2 2.83Å; N555-Q570 PolarHBondContact OD1-OE1 2.72Å; N555-S685 PolarHBondContact N-O 3.16Å; N555-E686 HydrophobicContact CB-CG 4.06Å; N555-M689 PolarHBondContact ND2-SD 3.4Å; N555-M689 VanDerWaalsContact ND2-SD 3.37Å
556	S	88.6	Confident	85.5	Confident	1 Å²	1	64.7 Å²	64.7	1%	0.007	32%	0.318	C	S	.	.	H	α-helix	trans	-65.7	-39.2	179.8	-170.9	0	0	0	0	111.9	D543 G551 T553 M558 L559 L560	D543-S556 VanDerWaalsContact CG-CB 3.45Å; D543-S556 WeakPolarHBondContact OD1-CB 3.24Å; D543-S556 WeakPolarHBondContact OD2-CB 3.43Å; D543-S556 PolarHBondContact OD2-OG 3.26Å; G551-S556 WeakPolarHBondContact CA-OG 3.46Å; G551-S556 PolarHBondContact N-OG 2.79Å; G551-S556 VanDerWaalsContact N-OG 3.11Å; T553-S556 PolarHBondContact O-N 3.02Å; T553-S556 VanDerWaalsContact O-N 3.09Å; T553-S556 VanDerWaalsContact OG1-CB 3.26Å; T553-S556 WeakPolarHBondContact OG1-CB 3.3Å; T553-S556 PolarHBondContact OG1-N 3.44Å; S556-M558 PolarHBondContact O-N 2.78Å; S556-L559 WeakPolarHBondContact O-CB 3.44Å; S556-L559 PolarHBondContact O-N 2.66Å; S556-L560 WeakPolarHBondContact O-CB 3.46Å; S556-L560 VanDerWaalsContact O-CG 3.25Å; S556-L560 WeakPolarHBondContact O-CG 3.36Å; S556-L560 PolarHBondContact O-N 3.34Å
557	W	87.2	Confident	85.7	Confident	98 Å²	98	69.2 Å²	69.2	37%	0.371	33%	0.332	S	S	.	.	H	α-helix	trans	-59.1	-47.4	174.8	-176	-97.3	0	0	0	112	T553 P554 L559 L560 K561	T553-W557 PolarHBondContact O-N 2.87Å; P554-W557 PolarHBondContact O-N 3.15Å; W557-L559 VanDerWaalsContact C-N 3.3Å; W557-L559 PolarHBondContact O-N 3.22Å; W557-L560 PolarHBondContact O-N 3.16Å; W557-K561 HydrophobicContact CH2-CD 4.44Å; W557-K561 HydrophobicContact CZ2-CD 3.54Å; W557-K561 WeakPolarHBondContact O-CB 3.34Å; W557-K561 PolarHBondContact O-N 3.23Å
558	M	86.1	Confident	85.9	Confident	47 Å²	47	68 Å²	68	23%	0.232	33%	0.328	C	S	.	.	H	α-helix	trans	-66.5	-32.7	178.9	-172.2	163.7	48.5	0	0	112.1	P554 N555 S556 G562 Q570 V573	P554-M558 WeakPolarHBondContact O-CB 3.07Å; P554-M558 PolarHBondContact O-N 3.29Å; N555-M558 PolarHBondContact O-N 3.07Å; S556-M558 PolarHBondContact O-N 2.78Å; M558-G562 WeakPolarHBondContact O-CA 3.47Å; M558-G562 PolarHBondContact O-N 2.62Å; M558-Q570 HydrophobicContact CE-CB 3.68Å; M558-Q570 HydrophobicContact CE-CG 3.49Å; M558-Q570 VanDerWaalsContact CE-CG 3.49Å; M558-Q570 HydrophobicContact CG-CB 4.15Å; M558-Q570 HydrophobicContact SD-CB 4.07Å; M558-Q570 HydrophobicContact SD-CG 4.44Å; M558-V573 HydrophobicContact SD-CB 4.44Å; M558-V573 HydrophobicContact SD-CG2 4.13Å
559	L	86.9	Confident	85.9	Confident	35 Å²	35	61.4 Å²	61.4	18%	0.183	30%	0.304	C	S	.	.	H	α-helix	trans	-67.1	-43.3	171.9	-177.9	119.7	0	0	0	112.4	L535 W536 N555 S556 W557	L535-L559 HydrophobicContact CB-CD1 4.06Å; L535-L559 HydrophobicContact CD1-CD1 4.38Å; L535-L559 HydrophobicContact CD2-CD1 3.51Å; L535-L559 HydrophobicContact CG-CD1 3.34Å; W536-L559 HydrophobicContact CB-CD2 4.06Å; W536-L559 HydrophobicContact CG-CD2 4.3Å; N555-L559 PolarHBondContact O-N 3.16Å; S556-L559 WeakPolarHBondContact O-CB 3.44Å; S556-L559 PolarHBondContact O-N 2.66Å; W557-L559 VanDerWaalsContact C-N 3.3Å; W557-L559 PolarHBondContact O-N 3.22Å
560	L	87.6	Confident	85.6	Confident	37 Å²	37	57 Å²	57	19%	0.194	28%	0.282	C	S	.	.	H	α-helix	trans	-80.3	-32.5	-173.5	-68.1	172.9	0	0	0	113.5	H550 S556 W557 P802 V805	H550-L560 HydrophobicContact CB-CD1 4.06Å; S556-L560 WeakPolarHBondContact O-CB 3.46Å; S556-L560 VanDerWaalsContact O-CG 3.25Å; S556-L560 WeakPolarHBondContact O-CG 3.36Å; S556-L560 PolarHBondContact O-N 3.34Å; W557-L560 PolarHBondContact O-N 3.16Å; L560-P802 HydrophobicContact CD1-CG 4.09Å; L560-P802 HydrophobicContact CD2-CB 4.25Å; L560-P802 HydrophobicContact CD2-CG 4.09Å; L560-V805 HydrophobicContact CD2-CG1 3.51Å
561	K	86.1	Confident	85.6	Confident	130 Å²	130	56.6 Å²	56.6	57%	0.565	28%	0.28	S	S	*	.	H	α-helix	trans	-106.9	-20.7	-176.6	-169	175.2	179.5	-177.5	0	113.4	W557	W557-K561 HydrophobicContact CH2-CD 4.44Å; W557-K561 HydrophobicContact CZ2-CD 3.54Å; W557-K561 WeakPolarHBondContact O-CB 3.34Å; W557-K561 PolarHBondContact O-N 3.23Å
562	G	82.7	Confident	85.7	Confident	26 Å²	26	56.7 Å²	56.7	27%	0.268	28%	0.279	S	S	.	.			trans	-64.4	134.5	-174.9	0	0	0	0	0	112.5	M558	M558-G562 WeakPolarHBondContact O-CA 3.47Å; M558-G562 PolarHBondContact O-N 2.62Å
563	D	79.8	Confident	85.8	Confident	69 Å²	69	58 Å²	58	37%	0.369	29%	0.286	S	S	.	.			trans	-114.7	129.8	177.6	-175.1	-14.5	0	0	0	109.8	N565 M566 K567 T568 D569	D563-N565 WeakPolarHBondContact OD1-CB 3.33Å; D563-N565 PolarHBondContact OD1-N 2.75Å; D563-M566 HydrophobicContact CB-CB 4.1Å; D563-M566 HydrophobicContact CB-CG 4.13Å; D563-M566 PolarHBondContact O-N 3.16Å; D563-K567 PolarHBondContact O-N 2.66Å; D563-K567 VanDerWaalsContact O-N 3.16Å; D563-T568 PolarHBondContact N-OG1 2.81Å; D563-T568 PolarHBondContact O-N 2.98Å; D563-T568 PolarHBondContact O-OG1 3.26Å; D563-D569 PolarHBondContact O-N 2.74Å
564	R	81.4	Confident	85.9	Confident	164 Å²	164	58.2 Å²	58.2	62%	0.619	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-40.3	176.4	-178.6	-179.3	174.6	-174.9	-3.9	112.2	M566 K567 D569	R564-M566 VanDerWaalsContact C-N 3.32Å; R564-K567 PolarHBondContact O-N 2.64Å; R564-K567 VanDerWaalsContact O-N 3.17Å; R564-D569 WeakPolarHBondContact CA-OD1 3.46Å
565	N	83.5	Confident	86.3	Confident	141 Å²	141	56.8 Å²	56.8	75%	0.754	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-37.9	-178.2	-66.2	-23.2	0	0	0	110.8	D563 K567	D563-N565 WeakPolarHBondContact OD1-CB 3.33Å; D563-N565 PolarHBondContact OD1-N 2.75Å; N565-K567 PolarHBondContact O-N 3.38Å
566	M	86.6	Confident	86.6	Confident	138 Å²	138	62.4 Å²	62.4	68%	0.68	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	2.4	176.1	-57.5	-62.2	-79.9	0	0	113.2	D563 R564 T568	D563-M566 HydrophobicContact CB-CB 4.1Å; D563-M566 HydrophobicContact CB-CG 4.13Å; D563-M566 PolarHBondContact O-N 3.16Å; R564-M566 VanDerWaalsContact C-N 3.32Å; M566-T568 HydrophobicContact CB-CG2 4.12Å; M566-T568 PolarHBondContact O-N 2.98Å; M566-T568 VanDerWaalsContact O-N 3.1Å
567	K	86.4	Confident	86.6	Confident	140 Å²	140	64.1 Å²	64.1	61%	0.609	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	25.3	-174.9	-59.6	-179.1	-177.7	176.4	0	114	D563 R564 N565 S572	D563-K567 PolarHBondContact O-N 2.66Å; D563-K567 VanDerWaalsContact O-N 3.16Å; R564-K567 PolarHBondContact O-N 2.64Å; R564-K567 VanDerWaalsContact O-N 3.17Å; N565-K567 PolarHBondContact O-N 3.38Å; K567-S572 WeakPolarHBondContact O-CB 3.49Å
568	T	86.4	Confident	86.7	Confident	55 Å²	55	59.5 Å²	59.5	34%	0.337	30%	0.295	S	S	.	.			trans	-94.1	-7.4	178.5	55.2	0	0	0	0	112.6	D563 M566	D563-T568 PolarHBondContact N-OG1 2.81Å; D563-T568 PolarHBondContact O-N 2.98Å; D563-T568 PolarHBondContact O-OG1 3.26Å; M566-T568 HydrophobicContact CB-CG2 4.12Å; M566-T568 PolarHBondContact O-N 2.98Å; M566-T568 VanDerWaalsContact O-N 3.1Å
569	D	86.9	Confident	86.9	Confident	16 Å²	16	61.1 Å²	61.1	9%	0.086	31%	0.312	C	S	.	.	S	Bend	trans	-67.7	150.6	172	82	-78.9	0	0	0	112	D563 R564 H571 S572 V573 R582	D563-D569 PolarHBondContact O-N 2.74Å; R564-D569 WeakPolarHBondContact CA-OD1 3.46Å; D569-H571 PolarHBondContact O-N 3.24Å; D569-H571 VanDerWaalsContact O-N 3.07Å; D569-H571 WeakPolarHBondContact OD2-CB 3.46Å; D569-H571 IonicContact OD2-CD2 3.19Å; D569-H571 IonicContact OD2-CG 2.6Å; D569-H571 PolarHBondContact OD2-N 3.48Å; D569-S572 PolarHBondContact O-N 2.82Å; D569-S572 WeakPolarHBondContact OD1-CB 3.44Å; D569-S572 PolarHBondContact OD1-OG 2.95Å; D569-S572 PolarHBondContact OD2-N 3.26Å; D569-V573 WeakPolarHBondContact O-CG2 3.49Å; D569-V573 PolarHBondContact O-N 3.1Å; D569-R582 IonicContact OD1-NE 3.28Å; D569-R582 IonicContact OD1-NH2 3.92Å; D569-R582 IonicContact OD2-CZ 3.97Å; D569-R582 IonicContact OD2-NE 2.68Å; D569-R582 PolarHBondContact OD2-NE 3.47Å; D569-R582 IonicContact OD2-NH2 2.8Å; D569-R582 PolarHBondContact OD2-NH2 3.46Å
570	Q	83.3	Confident	87.2	Confident	5 Å²	5	60.2 Å²	60.2	2%	0.023	31%	0.307	C	S	.	.	H	α-helix	trans	-53.6	-36.2	-174.1	-173.7	177.3	22.2	0	0	113.8	N555 M558 I574 N589 E686	N555-Q570 PolarHBondContact OD1-NE2 2.83Å; N555-Q570 PolarHBondContact OD1-OE1 2.72Å; M558-Q570 HydrophobicContact CE-CB 3.68Å; M558-Q570 HydrophobicContact CE-CG 3.49Å; M558-Q570 VanDerWaalsContact CE-CG 3.49Å; M558-Q570 HydrophobicContact CG-CB 4.15Å; M558-Q570 HydrophobicContact SD-CB 4.07Å; M558-Q570 HydrophobicContact SD-CG 4.44Å; Q570-I574 HydrophobicContact CG-CD1 4.13Å; Q570-I574 WeakPolarHBondContact O-CG1 3.41Å; Q570-I574 PolarHBondContact O-N 3.12Å; Q570-I574 VanDerWaalsContact O-N 3.16Å; Q570-N589 VanDerWaalsContact CG-ND2 3.34Å; Q570-N589 WeakPolarHBondContact CG-ND2 3.45Å; Q570-N589 PolarHBondContact NE2-ND2 3.48Å; Q570-N589 PolarHBondContact OE1-ND2 3.16Å; Q570-E686 PolarHBondContact NE2-OE1 3.23Å
571	H	89.4	Confident	87.4	Confident	10 Å²	10	60.8 Å²	60.8	5%	0.046	31%	0.314	C	S	.	.	H	α-helix	trans	-72.6	-38.9	179.8	-58.8	-55.2	0	0	0	112	D569 A575 R582 A585	D569-H571 PolarHBondContact O-N 3.24Å; D569-H571 VanDerWaalsContact O-N 3.07Å; D569-H571 WeakPolarHBondContact OD2-CB 3.46Å; D569-H571 IonicContact OD2-CD2 3.19Å; D569-H571 IonicContact OD2-CG 2.6Å; D569-H571 PolarHBondContact OD2-N 3.48Å; H571-A575 WeakPolarHBondContact O-CB 3.05Å; H571-A575 PolarHBondContact O-N 3.5Å; H571-R582 HydrophobicContact CB-CG 3.95Å; H571-A585 WeakPolarHBondContact O-CB 3.44Å
572	S	90.5	Very high	87.5	Confident	11 Å²	11	58.3 Å²	58.3	8%	0.077	30%	0.301	C	S	.	.	H	α-helix	trans	-69.2	-39.4	177.3	-61.9	0	0	0	0	112	K567 D569 I574 A575 Q576 R582	K567-S572 WeakPolarHBondContact O-CB 3.49Å; D569-S572 PolarHBondContact O-N 2.82Å; D569-S572 WeakPolarHBondContact OD1-CB 3.44Å; D569-S572 PolarHBondContact OD1-OG 2.95Å; D569-S572 PolarHBondContact OD2-N 3.26Å; S572-I574 PolarHBondContact O-N 3.15Å; S572-A575 WeakPolarHBondContact O-CB 3.39Å; S572-A575 PolarHBondContact O-N 3.03Å; S572-Q576 PolarHBondContact O-N 3.18Å; S572-R582 WeakPolarHBondContact OG-CD 3.48Å; S572-R582 PolarHBondContact OG-NE 3.25Å
573	V	87.8	Confident	87.7	Confident	50 Å²	50	61.1 Å²	61.1	30%	0.303	32%	0.316	S	S	.	.	H	α-helix	trans	-60.3	-47.3	175.4	174.8	0	0	0	0	110.8	M558 D569 Q576 E577	M558-V573 HydrophobicContact SD-CB 4.44Å; M558-V573 HydrophobicContact SD-CG2 4.13Å; D569-V573 WeakPolarHBondContact O-CG2 3.49Å; D569-V573 PolarHBondContact O-N 3.1Å; V573-Q576 PolarHBondContact O-N 3.33Å; V573-E577 PolarHBondContact O-N 3.09Å
574	I	88.6	Confident	88.3	Confident	8 Å²	8	60.3 Å²	60.3	4%	0.041	31%	0.31	C	S	.	.	H	α-helix	trans	-67.1	-38.9	177.4	-68.2	173	0	0	0	111.5	Q570 S572 Q576 E577 M578 A585 L588 N589 L624	Q570-I574 HydrophobicContact CG-CD1 4.13Å; Q570-I574 WeakPolarHBondContact O-CG1 3.41Å; Q570-I574 PolarHBondContact O-N 3.12Å; Q570-I574 VanDerWaalsContact O-N 3.16Å; S572-I574 PolarHBondContact O-N 3.15Å; I574-Q576 VanDerWaalsContact C-N 3.31Å; I574-Q576 PolarHBondContact O-N 3.41Å; I574-E577 PolarHBondContact O-N 3.44Å; I574-M578 HydrophobicContact CG2-CG 4.19Å; I574-M578 WeakPolarHBondContact O-CB 3.35Å; I574-M578 WeakPolarHBondContact O-CG 3.35Å; I574-M578 PolarHBondContact O-N 3.15Å; I574-A585 HydrophobicContact CB-CB 4.41Å; I574-A585 HydrophobicContact CG2-CB 4.13Å; I574-L588 HydrophobicContact CG2-CD2 4.3Å; I574-N589 HydrophobicContact CD1-CB 3.92Å; I574-N589 WeakPolarHBondContact CD1-OD1 3.4Å; I574-L624 HydrophobicContact CG1-CD1 4.33Å; I574-L624 HydrophobicContact CG2-CD1 4.48Å
575	A	92.6	Very high	88.8	Confident	10 Å²	10	52.5 Å²	52.5	8%	0.083	28%	0.281	C	S	.	.	H	α-helix	trans	-58.4	-45.2	177.1	0	0	0	0	0	111.4	H571 S572 S579 I580 A585	H571-A575 WeakPolarHBondContact O-CB 3.05Å; H571-A575 PolarHBondContact O-N 3.5Å; S572-A575 WeakPolarHBondContact O-CB 3.39Å; S572-A575 PolarHBondContact O-N 3.03Å; A575-S579 VanDerWaalsContact O-CA 3.3Å; A575-S579 WeakPolarHBondContact O-CA 3.11Å; A575-S579 PolarHBondContact O-N 3.25Å; A575-I580 WeakPolarHBondContact CB-O 3.48Å; A575-I580 PolarHBondContact O-N 3.36Å; A575-A585 HydrophobicContact CB-CB 3.67Å
576	Q	90.8	Very high	89	Confident	119 Å²	119	50.4 Å²	50.4	56%	0.556	27%	0.265	S	S	*	.	H	α-helix	trans	-66.3	-46.4	177.1	-172.1	175.3	3.1	0	0	111.7	S572 V573 I574 M578 S579	S572-Q576 PolarHBondContact O-N 3.18Å; V573-Q576 PolarHBondContact O-N 3.33Å; I574-Q576 VanDerWaalsContact C-N 3.31Å; I574-Q576 PolarHBondContact O-N 3.41Å; Q576-M578 VanDerWaalsContact C-N 3.32Å; Q576-M578 PolarHBondContact O-N 2.97Å; Q576-S579 PolarHBondContact O-N 2.81Å
577	E	87.1	Confident	89.1	Confident	38 Å²	38	47.6 Å²	47.6	18%	0.178	26%	0.256	C	S	.	.	H	α-helix	trans	-65.8	-33.2	-177.4	-170.2	163.2	-165.7	0	0	113	V573 I574 R627	V573-E577 PolarHBondContact O-N 3.09Å; I574-E577 PolarHBondContact O-N 3.44Å; E577-R627 WeakPolarHBondContact OE1-CD 3.35Å; E577-R627 IonicContact OE1-CZ 3.47Å; E577-R627 IonicContact OE1-NH1 3Å; E577-R627 PolarHBondContact OE1-NH1 3.29Å; E577-R627 WeakPolarHBondContact OE2-CD 3.38Å; E577-R627 IonicContact OE2-CZ 2.78Å; E577-R627 IonicContact OE2-NE 2.98Å; E577-R627 IonicContact OE2-NH1 3.36Å; E577-R627 PolarHBondContact OE2-NH1 3.24Å
578	M	89.3	Confident	89.2	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-94.7	-4.7	177.9	-61.1	-67	106.3	0	0	113.4	I574 Q576 I580 L588 L605 L620 L624	I574-M578 HydrophobicContact CG2-CG 4.19Å; I574-M578 WeakPolarHBondContact O-CB 3.35Å; I574-M578 WeakPolarHBondContact O-CG 3.35Å; I574-M578 PolarHBondContact O-N 3.15Å; Q576-M578 VanDerWaalsContact C-N 3.32Å; Q576-M578 PolarHBondContact O-N 2.97Å; M578-I580 VanDerWaalsContact C-N 3.33Å; M578-I580 HydrophobicContact CB-CD1 3.96Å; M578-I580 HydrophobicContact CB-CG1 3.97Å; M578-I580 HydrophobicContact CB-CG2 4.37Å; M578-I580 PolarHBondContact O-N 3.12Å; M578-L588 HydrophobicContact CG-CD2 4.25Å; M578-L605 HydrophobicContact CB-CD2 4.13Å; M578-L605 HydrophobicContact CG-CD2 4.45Å; M578-L605 HydrophobicContact SD-CD1 4.18Å; M578-L605 HydrophobicContact SD-CD2 4.43Å; M578-L620 HydrophobicContact CE-CD2 4.45Å; M578-L620 HydrophobicContact SD-CB 4.27Å; M578-L624 HydrophobicContact CE-CB 3.71Å; M578-L624 HydrophobicContact CE-CD1 4.27Å; M578-L624 HydrophobicContact CE-CD2 4.45Å; M578-L624 HydrophobicContact CE-CG 4.35Å; M578-L624 HydrophobicContact CG-CD2 4.25Å; M578-L624 HydrophobicContact SD-CB 4.07Å; M578-L624 HydrophobicContact SD-CD2 3.97Å; M578-L624 HydrophobicContact SD-CG 4.48Å
579	S	91.1	Very high	89.2	Confident	82 Å²	82	38.4 Å²	38.4	57%	0.573	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	47.9	-173.1	-45.9	0	0	0	0	113.2	A575 Q576	A575-S579 VanDerWaalsContact O-CA 3.3Å; A575-S579 WeakPolarHBondContact O-CA 3.11Å; A575-S579 PolarHBondContact O-N 3.25Å; Q576-S579 PolarHBondContact O-N 2.81Å
580	I	92.3	Very high	89.1	Confident	16 Å²	16	39.4 Å²	39.4	8%	0.082	21%	0.214	C	C	.	.			trans	-121.9	169.6	176.9	61.6	-178.1	0	0	0	110	A575 M578 Q584 A585 L588 L605 F608 R609	A575-I580 WeakPolarHBondContact CB-O 3.48Å; A575-I580 PolarHBondContact O-N 3.36Å; M578-I580 VanDerWaalsContact C-N 3.33Å; M578-I580 HydrophobicContact CB-CD1 3.96Å; M578-I580 HydrophobicContact CB-CG1 3.97Å; M578-I580 HydrophobicContact CB-CG2 4.37Å; M578-I580 PolarHBondContact O-N 3.12Å; I580-Q584 HydrophobicContact CB-CB 4.14Å; I580-Q584 HydrophobicContact CD1-CB 4.19Å; I580-Q584 HydrophobicContact CG1-CB 4.34Å; I580-A585 HydrophobicContact CD1-CB 3.96Å; I580-A585 HydrophobicContact CG1-CB 4.1Å; I580-L588 HydrophobicContact CD1-CD2 4.1Å; I580-L605 HydrophobicContact CD1-CD2 4.42Å; I580-L605 HydrophobicContact CG2-CD2 4.12Å; I580-F608 HydrophobicContact CD1-CD2 4.47Å; I580-F608 HydrophobicContact CG2-CB 4.3Å; I580-R609 HydrophobicContact CG2-CG 4.18Å
581	S	92.2	Very high	89	Confident	48 Å²	48	39.9 Å²	39.9	34%	0.336	22%	0.22	S	C	.	.			trans	-69.8	158.1	175.2	82.8	0	0	0	0	111.7	S583 Q584 A585	S581-S583 VanDerWaalsContact C-N 3.27Å; S581-S583 PolarHBondContact O-N 3.4Å; S581-S583 PolarHBondContact OG-OG 3.11Å; S581-Q584 WeakPolarHBondContact O-CB 3.21Å; S581-Q584 PolarHBondContact O-N 2.53Å; S581-Q584 WeakPolarHBondContact OG-CB 3.33Å; S581-Q584 VanDerWaalsContact OG-CG 3.25Å; S581-Q584 WeakPolarHBondContact OG-CG 3.47Å; S581-Q584 PolarHBondContact OG-N 2.96Å; S581-Q584 PolarHBondContact OG-OE1 3.05Å; S581-A585 WeakPolarHBondContact O-CB 3.24Å; S581-A585 PolarHBondContact O-N 2.65Å
582	R	89.4	Confident	88.7	Confident	78 Å²	78	39.4 Å²	39.4	29%	0.294	22%	0.217	S	C	.	.	H	α-helix	trans	-61.2	-35.2	176.9	-171	178.4	179	-87.2	-1.8	112.5	D569 H571 S572 A585 K586	D569-R582 IonicContact OD1-NE 3.28Å; D569-R582 IonicContact OD1-NH2 3.92Å; D569-R582 IonicContact OD2-CZ 3.97Å; D569-R582 IonicContact OD2-NE 2.68Å; D569-R582 PolarHBondContact OD2-NE 3.47Å; D569-R582 IonicContact OD2-NH2 2.8Å; D569-R582 PolarHBondContact OD2-NH2 3.46Å; H571-R582 HydrophobicContact CB-CG 3.95Å; S572-R582 WeakPolarHBondContact OG-CD 3.48Å; S572-R582 PolarHBondContact OG-NE 3.25Å; R582-A585 PolarHBondContact O-N 3.41Å; R582-K586 WeakPolarHBondContact O-CB 3.43Å; R582-K586 PolarHBondContact O-N 3.44Å
583	S	86.8	Confident	88.2	Confident	85 Å²	85	38.9 Å²	38.9	59%	0.594	21%	0.214	S	C	*	.	H	α-helix	trans	-67.3	-42.2	176.7	55.2	0	0	0	0	111.4	S581 K586 V587	S581-S583 VanDerWaalsContact C-N 3.27Å; S581-S583 PolarHBondContact O-N 3.4Å; S581-S583 PolarHBondContact OG-OG 3.11Å; S583-K586 WeakPolarHBondContact O-CB 3.4Å; S583-K586 PolarHBondContact O-N 2.87Å; S583-V587 PolarHBondContact O-N 2.87Å
584	Q	91.6	Very high	87.6	Confident	52 Å²	52	38.2 Å²	38.2	24%	0.243	21%	0.206	C	C	.	.	H	α-helix	trans	-62.8	-43.8	173	-71.4	169.9	-24.8	0	0	111.6	I580 S581 K586 V587 L588 F608	I580-Q584 HydrophobicContact CB-CB 4.14Å; I580-Q584 HydrophobicContact CD1-CB 4.19Å; I580-Q584 HydrophobicContact CG1-CB 4.34Å; S581-Q584 WeakPolarHBondContact O-CB 3.21Å; S581-Q584 PolarHBondContact O-N 2.53Å; S581-Q584 WeakPolarHBondContact OG-CB 3.33Å; S581-Q584 VanDerWaalsContact OG-CG 3.25Å; S581-Q584 WeakPolarHBondContact OG-CG 3.47Å; S581-Q584 PolarHBondContact OG-N 2.96Å; S581-Q584 PolarHBondContact OG-OE1 3.05Å; Q584-K586 VanDerWaalsContact C-N 3.3Å; Q584-K586 PolarHBondContact O-N 3.32Å; Q584-V587 PolarHBondContact O-N 3.18Å; Q584-L588 PolarHBondContact O-N 3.3Å; Q584-F608 HydrophobicContact CB-CD1 4.37Å; Q584-F608 HydrophobicContact CB-CD2 3.69Å; Q584-F608 HydrophobicContact CB-CE1 4.34Å; Q584-F608 HydrophobicContact CB-CE2 3.64Å; Q584-F608 HydrophobicContact CB-CG 4.06Å; Q584-F608 HydrophobicContact CB-CZ 3.97Å; Q584-F608 HydrophobicContact CG-CB 4.46Å; Q584-F608 HydrophobicContact CG-CD1 3.75Å; Q584-F608 HydrophobicContact CG-CD2 3.98Å; Q584-F608 HydrophobicContact CG-CE1 3.85Å; Q584-F608 HydrophobicContact CG-CE2 4.06Å; Q584-F608 HydrophobicContact CG-CG 3.81Å; Q584-F608 HydrophobicContact CG-CZ 3.98Å
585	A	91.7	Very high	86.8	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.1	-34.6	175.4	0	0	0	0	0	112.6	H571 I574 A575 I580 S581 R582 L588 N589	H571-A585 WeakPolarHBondContact O-CB 3.44Å; I574-A585 HydrophobicContact CB-CB 4.41Å; I574-A585 HydrophobicContact CG2-CB 4.13Å; A575-A585 HydrophobicContact CB-CB 3.67Å; I580-A585 HydrophobicContact CD1-CB 3.96Å; I580-A585 HydrophobicContact CG1-CB 4.1Å; S581-A585 WeakPolarHBondContact O-CB 3.24Å; S581-A585 PolarHBondContact O-N 2.65Å; R582-A585 PolarHBondContact O-N 3.41Å; A585-L588 PolarHBondContact O-N 3.01Å; A585-N589 WeakPolarHBondContact O-CB 3.34Å; A585-N589 PolarHBondContact O-N 3.29Å
586	K	89.1	Confident	86	Confident	98 Å²	98	39.3 Å²	39.3	43%	0.426	22%	0.218	S	C	.	.	H	α-helix	trans	-58.1	-52	172.4	-172.5	180	-179.9	-175.5	0	110.4	R582 S583 Q584 L588 N589 Y590	R582-K586 WeakPolarHBondContact O-CB 3.43Å; R582-K586 PolarHBondContact O-N 3.44Å; S583-K586 WeakPolarHBondContact O-CB 3.4Å; S583-K586 PolarHBondContact O-N 2.87Å; Q584-K586 VanDerWaalsContact C-N 3.3Å; Q584-K586 PolarHBondContact O-N 3.32Å; K586-L588 PolarHBondContact O-N 2.84Å; K586-N589 PolarHBondContact O-N 3.46Å; K586-Y590 HydrophobicContact CD-CE2 4.24Å; K586-Y590 HydrophobicContact CG-CD2 3.72Å; K586-Y590 HydrophobicContact CG-CE2 3.63Å; K586-Y590 VanDerWaalsContact O-CD2 3.25Å; K586-Y590 WeakPolarHBondContact O-CD2 2.9Å; K586-Y590 PolarHBondContact O-N 3.21Å
587	V	87.9	Confident	85.4	Confident	79 Å²	79	35.3 Å²	35.3	48%	0.479	21%	0.209	S	C	.	.	H	α-helix	trans	-57.9	-47.4	178.1	177.3	0	0	0	0	111.4	S583 Q584 N589 G591 L604 F608	S583-V587 PolarHBondContact O-N 2.87Å; Q584-V587 PolarHBondContact O-N 3.18Å; V587-N589 PolarHBondContact O-N 2.99Å; V587-G591 PolarHBondContact O-N 3.14Å; V587-L604 HydrophobicContact CG1-CD2 4.08Å; V587-F608 HydrophobicContact CB-CZ 4.45Å; V587-F608 HydrophobicContact CG1-CZ 4.49Å
588	L	88.8	Confident	85.3	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-61.3	-44.9	178.7	-179.9	63.3	0	0	0	111.9	I574 M578 I580 Q584 A585 K586 G591 R592 A601 L604 L605 L624	I574-L588 HydrophobicContact CG2-CD2 4.3Å; M578-L588 HydrophobicContact CG-CD2 4.25Å; I580-L588 HydrophobicContact CD1-CD2 4.1Å; Q584-L588 PolarHBondContact O-N 3.3Å; A585-L588 PolarHBondContact O-N 3.01Å; K586-L588 PolarHBondContact O-N 2.84Å; L588-G591 PolarHBondContact O-N 3.29Å; L588-R592 VanDerWaalsContact O-CB 3.3Å; L588-R592 WeakPolarHBondContact O-CB 3.49Å; L588-R592 PolarHBondContact O-N 3.12Å; L588-A601 HydrophobicContact CD1-CB 3.73Å; L588-L604 HydrophobicContact CD1-CD1 4.36Å; L588-L605 HydrophobicContact CD2-CD2 4.38Å; L588-L624 HydrophobicContact CD2-CD2 3.88Å; L588-L624 HydrophobicContact CG-CD2 4.48Å
589	N	86.3	Confident	85.1	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-68.3	-43.1	-175.2	-161.3	35.5	0	0	0	111.9	Q570 I574 A585 K586 V587 R592 M593	Q570-N589 VanDerWaalsContact CG-ND2 3.34Å; Q570-N589 WeakPolarHBondContact CG-ND2 3.45Å; Q570-N589 PolarHBondContact NE2-ND2 3.48Å; Q570-N589 PolarHBondContact OE1-ND2 3.16Å; I574-N589 HydrophobicContact CD1-CB 3.92Å; I574-N589 WeakPolarHBondContact CD1-OD1 3.4Å; A585-N589 WeakPolarHBondContact O-CB 3.34Å; A585-N589 PolarHBondContact O-N 3.29Å; K586-N589 PolarHBondContact O-N 3.46Å; V587-N589 PolarHBondContact O-N 2.99Å; N589-R592 PolarHBondContact O-N 3.1Å; N589-R592 PolarHBondContact OD1-NE 2.96Å; N589-R592 PolarHBondContact OD1-NH2 3.45Å; N589-M593 WeakPolarHBondContact O-CG 3.16Å; N589-M593 PolarHBondContact O-N 2.97Å
590	Y	84.4	Confident	84.8	Confident	38 Å²	38	42.8 Å²	42.8	15%	0.149	24%	0.242	C	C	.	.	H	α-helix	trans	-60.3	-49.5	173.4	-84.5	-68.9	0	0	0	111.5	E534 K586 R592 M593 Y594	E534-Y590 HydrophobicContact CB-CE1 4.42Å; K586-Y590 HydrophobicContact CD-CE2 4.24Å; K586-Y590 HydrophobicContact CG-CD2 3.72Å; K586-Y590 HydrophobicContact CG-CE2 3.63Å; K586-Y590 VanDerWaalsContact O-CD2 3.25Å; K586-Y590 WeakPolarHBondContact O-CD2 2.9Å; K586-Y590 PolarHBondContact O-N 3.21Å; Y590-R592 VanDerWaalsContact C-N 3.3Å; Y590-R592 PolarHBondContact O-N 2.95Å; Y590-M593 HydrophobicContact CD1-CE 4.09Å; Y590-M593 HydrophobicContact CE1-CE 4.3Å; Y590-M593 PolarHBondContact O-N 2.54Å; Y590-Y594 AromaticContact CD1-CE2 3.66Å; Y590-Y594 HydrophobicContact CD1-CE2 3.66Å; Y590-Y594 AromaticContact CD1-CZ 3.6Å; Y590-Y594 WeakPolarHBondContact CD1-OH 3.2Å; Y590-Y594 WeakPolarHBondContact CE1-OH 3.48Å; Y590-Y594 HydrophobicContact CG-CE2 4.25Å; Y590-Y594 WeakPolarHBondContact O-CB 3.41Å; Y590-Y594 WeakPolarHBondContact O-CD2 3.39Å; Y590-Y594 PolarHBondContact O-N 2.59Å
591	G	82	Confident	84.6	Confident	14 Å²	14	42 Å²	42	14%	0.144	24%	0.238	C	C	.	.	H	α-helix	trans	-56.5	-44.6	177.4	0	0	0	0	0	112.6	V587 L588 Y594 A596	V587-G591 PolarHBondContact O-N 3.14Å; L588-G591 PolarHBondContact O-N 3.29Å; G591-Y594 CarbonylContact O-C 3.55Å; G591-Y594 PolarHBondContact O-N 2.84Å; G591-A596 WeakPolarHBondContact O-CB 3.42Å; G591-A596 PolarHBondContact O-N 3.5Å
592	R	83.2	Confident	84.5	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.2	-43.9	179	-177.7	-176.8	70.8	73.2	10.5	113.1	L588 N589 Y590 Y594 G595 Y625 T628 E686	L588-R592 VanDerWaalsContact O-CB 3.3Å; L588-R592 WeakPolarHBondContact O-CB 3.49Å; L588-R592 PolarHBondContact O-N 3.12Å; N589-R592 PolarHBondContact O-N 3.1Å; N589-R592 PolarHBondContact OD1-NE 2.96Å; N589-R592 PolarHBondContact OD1-NH2 3.45Å; Y590-R592 VanDerWaalsContact C-N 3.3Å; Y590-R592 PolarHBondContact O-N 2.95Å; R592-Y594 VanDerWaalsContact C-N 3.28Å; R592-G595 PolarHBondContact O-N 3.39Å; R592-Y625 HydrophobicContact CG-CE1 3.99Å; R592-Y625 HydrophobicContact CG-CE2 4.11Å; R592-T628 PolarHBondContact NH1-OG1 3.24Å; R592-E686 IonicContact CZ-OE1 3.5Å; R592-E686 IonicContact CZ-OE2 3.83Å; R592-E686 IonicContact NH1-OE1 3.4Å; R592-E686 IonicContact NH1-OE2 2.85Å; R592-E686 PolarHBondContact NH1-OE2 2.89Å; R592-E686 IonicContact NH2-OE1 2.75Å; R592-E686 PolarHBondContact NH2-OE1 3.32Å; R592-E686 IonicContact NH2-OE2 3.2Å; R592-E686 PolarHBondContact NH2-OE2 3.05Å
593	M	78.7	Confident	84.5	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-67.5	-31.5	176.9	-71.7	-160.9	-61.5	0	0	112.3	L535 N589 Y590 G595 M689 M725	L535-M593 HydrophobicContact CB-CE 4.04Å; L535-M593 HydrophobicContact CD1-CE 3.18Å; L535-M593 HydrophobicContact CD1-SD 3.19Å; L535-M593 WeakPolarHBondContact CD1-SD 3.37Å; L535-M593 HydrophobicContact CG-CE 4.1Å; N589-M593 WeakPolarHBondContact O-CG 3.16Å; N589-M593 PolarHBondContact O-N 2.97Å; Y590-M593 HydrophobicContact CD1-CE 4.09Å; Y590-M593 HydrophobicContact CE1-CE 4.3Å; Y590-M593 PolarHBondContact O-N 2.54Å; M593-G595 PolarHBondContact O-N 2.93Å; M593-G595 VanDerWaalsContact O-N 3.16Å; M593-M689 HydrophobicContact CG-CE 4.02Å; M593-M689 HydrophobicContact SD-CE 4.27Å; M593-M689 HydrophobicContact SD-SD 4.27Å; M593-M725 WeakPolarHBondContact O-CE 3.45Å
594	Y	75.5	Confident	84.6	Confident	35 Å²	35	42.6 Å²	42.6	14%	0.137	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	21.1	175.7	-62.2	-27.2	0	0	0	114.1	E534 Y590 G591 R592 A596 N726 V729	E534-Y594 WeakPolarHBondContact CB-OH 3.4Å; E534-Y594 PolarHBondContact OE2-OH 2.7Å; Y590-Y594 AromaticContact CD1-CE2 3.66Å; Y590-Y594 HydrophobicContact CD1-CE2 3.66Å; Y590-Y594 AromaticContact CD1-CZ 3.6Å; Y590-Y594 WeakPolarHBondContact CD1-OH 3.2Å; Y590-Y594 WeakPolarHBondContact CE1-OH 3.48Å; Y590-Y594 HydrophobicContact CG-CE2 4.25Å; Y590-Y594 WeakPolarHBondContact O-CB 3.41Å; Y590-Y594 WeakPolarHBondContact O-CD2 3.39Å; Y590-Y594 PolarHBondContact O-N 2.59Å; G591-Y594 CarbonylContact O-C 3.55Å; G591-Y594 PolarHBondContact O-N 2.84Å; R592-Y594 VanDerWaalsContact C-N 3.28Å; Y594-A596 VanDerWaalsContact C-N 3.31Å; Y594-A596 PolarHBondContact O-N 3.01Å; Y594-N726 VanDerWaalsContact CB-OD1 3.25Å; Y594-N726 WeakPolarHBondContact CB-OD1 3.22Å; Y594-N726 WeakPolarHBondContact CD1-OD1 3.24Å; Y594-N726 WeakPolarHBondContact O-CB 3.4Å; Y594-V729 HydrophobicContact CD1-CB 4.39Å; Y594-V729 HydrophobicContact CE1-CB 4Å; Y594-V729 HydrophobicContact CE1-CG1 3.86Å
595	G	71.9	Confident	84.5	Confident	20 Å²	20	40.1 Å²	40.1	21%	0.206	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	0.2	172.9	0	0	0	0	0	115	R592 M593 G597 M725	R592-G595 PolarHBondContact O-N 3.39Å; M593-G595 PolarHBondContact O-N 2.93Å; M593-G595 VanDerWaalsContact O-N 3.16Å; G595-G597 PolarHBondContact O-N 3.09Å; G595-M725 VanDerWaalsContact N-CE 3.31Å
596	A	75.9	Confident	84.4	Confident	21 Å²	21	44.1 Å²	44.1	17%	0.174	23%	0.229	C	C	.	.			trans	-57.1	138.3	172.2	0	0	0	0	0	110.5	G591 Y594 F600 Y625 K629	G591-A596 WeakPolarHBondContact O-CB 3.42Å; G591-A596 PolarHBondContact O-N 3.5Å; Y594-A596 VanDerWaalsContact C-N 3.31Å; Y594-A596 PolarHBondContact O-N 3.01Å; A596-F600 HydrophobicContact CB-CB 3.88Å; A596-F600 HydrophobicContact CB-CD1 3.23Å; A596-F600 HydrophobicContact CB-CD2 4.48Å; A596-F600 HydrophobicContact CB-CE1 3.74Å; A596-F600 HydrophobicContact CB-CG 3.64Å; A596-Y625 WeakPolarHBondContact O-CE1 3.34Å; A596-Y625 PolarHBondContact O-OH 2.93Å; A596-K629 PolarHBondContact O-NZ 3.46Å
597	G	78.3	Confident	84.3	Confident	36 Å²	36	42.2 Å²	42.2	37%	0.371	24%	0.237	S	C	.	.			trans	-86.1	178.4	-177.1	0	0	0	0	0	112.9	G595 A599 F600 A601 Y625	G595-G597 PolarHBondContact O-N 3.09Å; G597-A599 VanDerWaalsContact C-N 3.29Å; G597-A599 PolarHBondContact O-N 2.89Å; G597-F600 WeakPolarHBondContact O-CB 3.38Å; G597-F600 PolarHBondContact O-N 3.42Å; G597-F600 VanDerWaalsContact O-N 3.15Å; G597-A601 PolarHBondContact O-N 3.17Å; G597-Y625 PolarHBondContact O-OH 2.88Å; G597-Y625 VanDerWaalsContact O-OH 3.06Å
598	R	85	Confident	84.3	Confident	133 Å²	133	41 Å²	41	50%	0.502	23%	0.226	S	C	.	.	H	α-helix	trans	-55.5	-43.2	175.7	-76.3	179.9	-86	167.3	-3	112.3	F600 A601 V602 Y625	R598-F600 VanDerWaalsContact C-N 3.27Å; R598-F600 PolarHBondContact O-N 3.24Å; R598-A601 WeakPolarHBondContact O-CB 3.32Å; R598-A601 PolarHBondContact O-N 3.43Å; R598-V602 WeakPolarHBondContact O-CG2 3.49Å; R598-V602 PolarHBondContact O-N 3.12Å; R598-Y625 HydrophobicContact CG-CD1 3.84Å; R598-Y625 HydrophobicContact CG-CD2 3.93Å; R598-Y625 HydrophobicContact CG-CE1 4.35Å; R598-Y625 HydrophobicContact CG-CE2 4.42Å; R598-Y625 HydrophobicContact CG-CG 3.62Å
599	A	85.3	Confident	84.3	Confident	77 Å²	77	43.7 Å²	43.7	64%	0.636	24%	0.236	S	C	*	.	H	α-helix	trans	-56.7	-39.2	178.3	0	0	0	0	0	113.2	G597 V602 R603	G597-A599 VanDerWaalsContact C-N 3.29Å; G597-A599 PolarHBondContact O-N 2.89Å; A599-V602 PolarHBondContact O-N 3.06Å; A599-R603 PolarHBondContact O-N 3.3Å
600	F	84.8	Confident	84.2	Confident	66 Å²	66	49 Å²	49	29%	0.289	27%	0.27	S	S	.	.	H	α-helix	trans	-65.8	-43.4	175.4	175.1	-99	0	0	0	111.8	A596 G597 R598 R603 L604	A596-F600 HydrophobicContact CB-CB 3.88Å; A596-F600 HydrophobicContact CB-CD1 3.23Å; A596-F600 HydrophobicContact CB-CD2 4.48Å; A596-F600 HydrophobicContact CB-CE1 3.74Å; A596-F600 HydrophobicContact CB-CG 3.64Å; G597-F600 WeakPolarHBondContact O-CB 3.38Å; G597-F600 PolarHBondContact O-N 3.42Å; G597-F600 VanDerWaalsContact O-N 3.15Å; R598-F600 VanDerWaalsContact C-N 3.27Å; R598-F600 PolarHBondContact O-N 3.24Å; F600-R603 PolarHBondContact O-N 2.93Å; F600-L604 HydrophobicContact CD1-CD1 3.64Å; F600-L604 HydrophobicContact CD2-CD1 4.49Å; F600-L604 HydrophobicContact CE1-CD1 3.06Å; F600-L604 HydrophobicContact CE1-CG 4.37Å; F600-L604 HydrophobicContact CE2-CD1 3.99Å; F600-L604 HydrophobicContact CG-CD1 4.35Å; F600-L604 HydrophobicContact CZ-CD1 3.26Å; F600-L604 HydrophobicContact CZ-CG 4.32Å; F600-L604 PolarHBondContact O-N 2.81Å
601	A	87.9	Confident	84.4	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.1	-41	176.8	0	0	0	0	0	112.3	L588 G597 R598 L604 L605 A621 Y625	L588-A601 HydrophobicContact CD1-CB 3.73Å; G597-A601 PolarHBondContact O-N 3.17Å; R598-A601 WeakPolarHBondContact O-CB 3.32Å; R598-A601 PolarHBondContact O-N 3.43Å; A601-L604 PolarHBondContact O-N 3.18Å; A601-L605 WeakPolarHBondContact O-CB 3.17Å; A601-L605 VanDerWaalsContact O-CG 3.26Å; A601-L605 WeakPolarHBondContact O-CG 3.43Å; A601-L605 PolarHBondContact O-N 3.47Å; A601-A621 HydrophobicContact CB-CB 4.12Å; A601-Y625 HydrophobicContact CB-CE2 3.54Å
602	V	90.9	Very high	84.6	Confident	17 Å²	17	52.6 Å²	52.6	10%	0.103	29%	0.288	C	S	.	.	H	α-helix	trans	-60.3	-48.1	174.4	172.8	0	0	0	0	111.1	R598 A599 L604 L605 K606 A617 E618 A621	R598-V602 WeakPolarHBondContact O-CG2 3.49Å; R598-V602 PolarHBondContact O-N 3.12Å; A599-V602 PolarHBondContact O-N 3.06Å; V602-L604 VanDerWaalsContact C-N 3.34Å; V602-L604 PolarHBondContact O-N 3.04Å; V602-L605 PolarHBondContact O-N 2.81Å; V602-K606 HydrophobicContact CG1-CD 4.28Å; V602-K606 HydrophobicContact CG1-CG 4.5Å; V602-K606 WeakPolarHBondContact O-CG 3.29Å; V602-K606 PolarHBondContact O-N 2.8Å; V602-A617 HydrophobicContact CG1-CB 3.95Å; V602-E618 HydrophobicContact CG2-CB 4.27Å; V602-E618 WeakPolarHBondContact CG2-OE2 3.45Å; V602-A621 HydrophobicContact CG2-CB 3.53Å
603	R	88.4	Confident	85	Confident	177 Å²	177	55.1 Å²	55.1	67%	0.668	31%	0.306	S	S	*	.	H	α-helix	trans	-59.2	-45	178.4	-173.7	174.3	67	-178.3	1.4	112	A599 F600 G607	A599-R603 PolarHBondContact O-N 3.3Å; F600-R603 PolarHBondContact O-N 2.93Å; R603-G607 PolarHBondContact O-N 2.78Å; R603-G607 VanDerWaalsContact O-N 3.15Å
604	L	88.3	Confident	85.5	Confident	30 Å²	30	58.1 Å²	58.1	16%	0.157	33%	0.328	C	S	.	.	H	α-helix	trans	-63.7	-46.6	176.1	-96.2	159	0	0	0	112.4	V587 L588 F600 A601 V602 K606 G607 F608	V587-L604 HydrophobicContact CG1-CD2 4.08Å; L588-L604 HydrophobicContact CD1-CD1 4.36Å; F600-L604 HydrophobicContact CD1-CD1 3.64Å; F600-L604 HydrophobicContact CD2-CD1 4.49Å; F600-L604 HydrophobicContact CE1-CD1 3.06Å; F600-L604 HydrophobicContact CE1-CG 4.37Å; F600-L604 HydrophobicContact CE2-CD1 3.99Å; F600-L604 HydrophobicContact CG-CD1 4.35Å; F600-L604 HydrophobicContact CZ-CD1 3.26Å; F600-L604 HydrophobicContact CZ-CG 4.32Å; F600-L604 PolarHBondContact O-N 2.81Å; A601-L604 PolarHBondContact O-N 3.18Å; V602-L604 VanDerWaalsContact C-N 3.34Å; V602-L604 PolarHBondContact O-N 3.04Å; L604-K606 VanDerWaalsContact C-N 3.32Å; L604-K606 PolarHBondContact O-N 3.36Å; L604-G607 WeakPolarHBondContact O-CA 3.48Å; L604-G607 PolarHBondContact O-N 3.27Å; L604-F608 HydrophobicContact CB-CE2 4.3Å; L604-F608 HydrophobicContact CD2-CE1 4.01Å; L604-F608 HydrophobicContact CD2-CE2 3.64Å; L604-F608 HydrophobicContact CD2-CZ 3.31Å; L604-F608 WeakPolarHBondContact O-CD2 2.85Å; L604-F608 WeakPolarHBondContact O-CG 3.2Å; L604-F608 PolarHBondContact O-N 2.83Å
605	L	90.2	Very high	86.3	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-60.2	-43.1	179.1	-76.7	170.3	0	0	0	111.1	M578 I580 L588 A601 V602 G607 F608 R609 L620 A621	M578-L605 HydrophobicContact CB-CD2 4.13Å; M578-L605 HydrophobicContact CG-CD2 4.45Å; M578-L605 HydrophobicContact SD-CD1 4.18Å; M578-L605 HydrophobicContact SD-CD2 4.43Å; I580-L605 HydrophobicContact CD1-CD2 4.42Å; I580-L605 HydrophobicContact CG2-CD2 4.12Å; L588-L605 HydrophobicContact CD2-CD2 4.38Å; A601-L605 WeakPolarHBondContact O-CB 3.17Å; A601-L605 VanDerWaalsContact O-CG 3.26Å; A601-L605 WeakPolarHBondContact O-CG 3.43Å; A601-L605 PolarHBondContact O-N 3.47Å; V602-L605 PolarHBondContact O-N 2.81Å; L605-G607 VanDerWaalsContact C-N 3.26Å; L605-G607 PolarHBondContact O-N 3.43Å; L605-F608 PolarHBondContact O-N 3.09Å; L605-F608 VanDerWaalsContact O-N 3.16Å; L605-R609 WeakPolarHBondContact O-CA 3.34Å; L605-R609 WeakPolarHBondContact O-CB 3.49Å; L605-R609 PolarHBondContact O-N 3.03Å; L605-L620 HydrophobicContact CD1-CB 4.42Å; L605-A621 HydrophobicContact CD1-CB 4.3Å
606	K	89.8	Confident	87.3	Confident	84 Å²	84	65.5 Å²	65.5	37%	0.365	36%	0.362	S	S	.	.	H	α-helix	trans	-63.4	-31.8	174.8	-71	-172.4	71.4	175.2	0	113.1	V602 L604 R609 S614 A617	V602-K606 HydrophobicContact CG1-CD 4.28Å; V602-K606 HydrophobicContact CG1-CG 4.5Å; V602-K606 WeakPolarHBondContact O-CG 3.29Å; V602-K606 PolarHBondContact O-N 2.8Å; L604-K606 VanDerWaalsContact C-N 3.32Å; L604-K606 PolarHBondContact O-N 3.36Å; K606-R609 CarbonylContact O-C 3.57Å; K606-S614 PolarHBondContact NZ-OG 3.13Å; K606-A617 HydrophobicContact CD-CB 4.45Å; K606-A617 HydrophobicContact CG-CB 3.83Å
607	G	86	Confident	88	Confident	57 Å²	57	64.5 Å²	64.5	59%	0.588	35%	0.353	S	S	*	.	H	α-helix	trans	-69.7	-38.6	172.9	0	0	0	0	0	112.9	R603 L604 L605	R603-G607 PolarHBondContact O-N 2.78Å; R603-G607 VanDerWaalsContact O-N 3.15Å; L604-G607 WeakPolarHBondContact O-CA 3.48Å; L604-G607 PolarHBondContact O-N 3.27Å; L605-G607 VanDerWaalsContact C-N 3.26Å; L605-G607 PolarHBondContact O-N 3.43Å
608	F	88.5	Confident	88.8	Confident	54 Å²	54	66.3 Å²	66.3	24%	0.237	35%	0.352	C	S	.	.	H	α-helix	trans	-80.4	-30	179.3	-61.2	-27	0	0	0	113.6	I580 Q584 V587 L604 L605	I580-F608 HydrophobicContact CD1-CD2 4.47Å; I580-F608 HydrophobicContact CG2-CB 4.3Å; Q584-F608 HydrophobicContact CB-CD1 4.37Å; Q584-F608 HydrophobicContact CB-CD2 3.69Å; Q584-F608 HydrophobicContact CB-CE1 4.34Å; Q584-F608 HydrophobicContact CB-CE2 3.64Å; Q584-F608 HydrophobicContact CB-CG 4.06Å; Q584-F608 HydrophobicContact CB-CZ 3.97Å; Q584-F608 HydrophobicContact CG-CB 4.46Å; Q584-F608 HydrophobicContact CG-CD1 3.75Å; Q584-F608 HydrophobicContact CG-CD2 3.98Å; Q584-F608 HydrophobicContact CG-CE1 3.85Å; Q584-F608 HydrophobicContact CG-CE2 4.06Å; Q584-F608 HydrophobicContact CG-CG 3.81Å; Q584-F608 HydrophobicContact CG-CZ 3.98Å; V587-F608 HydrophobicContact CB-CZ 4.45Å; V587-F608 HydrophobicContact CG1-CZ 4.49Å; L604-F608 HydrophobicContact CB-CE2 4.3Å; L604-F608 HydrophobicContact CD2-CE1 4.01Å; L604-F608 HydrophobicContact CD2-CE2 3.64Å; L604-F608 HydrophobicContact CD2-CZ 3.31Å; L604-F608 WeakPolarHBondContact O-CD2 2.85Å; L604-F608 WeakPolarHBondContact O-CG 3.2Å; L604-F608 PolarHBondContact O-N 2.83Å; L605-F608 PolarHBondContact O-N 3.09Å; L605-F608 VanDerWaalsContact O-N 3.16Å
609	R	88.7	Confident	89.1	Confident	57 Å²	57	69 Å²	69	22%	0.215	36%	0.362	C	S	.	.			trans	-132.4	82.2	-177.4	-75	-166.5	63.4	-175.4	-0.5	110.1	I580 L605 K606 D611 L612	I580-R609 HydrophobicContact CG2-CG 4.18Å; L605-R609 WeakPolarHBondContact O-CA 3.34Å; L605-R609 WeakPolarHBondContact O-CB 3.49Å; L605-R609 PolarHBondContact O-N 3.03Å; K606-R609 CarbonylContact O-C 3.57Å; R609-D611 VanDerWaalsContact C-OD1 3.26Å; R609-D611 VanDerWaalsContact CA-OD1 3.3Å; R609-D611 WeakPolarHBondContact CA-OD1 3.38Å; R609-D611 VanDerWaalsContact CB-OD1 3.26Å; R609-D611 WeakPolarHBondContact CB-OD1 3.24Å; R609-D611 IonicContact CZ-OD2 2.79Å; R609-D611 IonicContact NE-OD1 2.78Å; R609-D611 IonicContact NE-OD2 3.89Å; R609-D611 PolarHBondContact NE-OD2 2.61Å; R609-D611 IonicContact NH2-OD2 2.89Å; R609-D611 PolarHBondContact NH2-OD2 3.06Å; R609-D611 PolarHBondContact O-N 2.73Å; R609-L612 HydrophobicContact CB-CD1 3.69Å; R609-L612 HydrophobicContact CB-CG 3.94Å; R609-L612 HydrophobicContact CG-CD1 4.43Å; R609-L612 PolarHBondContact O-N 3.48Å
610	P	84.6	Confident	89.4	Confident	112 Å²	112	67 Å²	67	73%	0.727	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.3	178.7	-19.1	32	0	0	0	113.5	L612	P610-L612 VanDerWaalsContact C-N 3.31Å
611	D	87.7	Confident	89.7	Confident	109 Å²	109	63.9 Å²	63.9	58%	0.583	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-22.7	176.8	58.9	-59.7	0	0	0	113.5	R609	R609-D611 VanDerWaalsContact C-OD1 3.26Å; R609-D611 VanDerWaalsContact CA-OD1 3.3Å; R609-D611 WeakPolarHBondContact CA-OD1 3.38Å; R609-D611 VanDerWaalsContact CB-OD1 3.26Å; R609-D611 WeakPolarHBondContact CB-OD1 3.24Å; R609-D611 IonicContact CZ-OD2 2.79Å; R609-D611 IonicContact NE-OD1 2.78Å; R609-D611 IonicContact NE-OD2 3.89Å; R609-D611 PolarHBondContact NE-OD2 2.61Å; R609-D611 IonicContact NH2-OD2 2.89Å; R609-D611 PolarHBondContact NH2-OD2 3.06Å; R609-D611 PolarHBondContact O-N 2.73Å
612	L	87.2	Confident	89.7	Confident	18 Å²	18	66 Å²	66	9%	0.094	34%	0.34	C	S	.	.	S	Bend	trans	-76.5	133.7	-178.5	-69.5	173.7	0	0	0	112.1	R609 P610 E616 A617 L620	R609-L612 HydrophobicContact CB-CD1 3.69Å; R609-L612 HydrophobicContact CB-CG 3.94Å; R609-L612 HydrophobicContact CG-CD1 4.43Å; R609-L612 PolarHBondContact O-N 3.48Å; P610-L612 VanDerWaalsContact C-N 3.31Å; L612-E616 HydrophobicContact CD2-CB 4.09Å; L612-A617 HydrophobicContact CB-CB 4.49Å; L612-L620 HydrophobicContact CD1-CD1 3.92Å; L612-L620 HydrophobicContact CD2-CD1 4.2Å
613	S	90.7	Very high	89.6	Confident	53 Å²	53	71 Å²	71	37%	0.371	36%	0.361	S	S	.	.			trans	-64.8	157.7	165	65.6	0	0	0	0	111.2	D615 E616 A617	S613-D615 PolarHBondContact O-N 3.39Å; S613-E616 WeakPolarHBondContact CB-OE2 3.47Å; S613-E616 PolarHBondContact N-OE2 2.82Å; S613-E616 PolarHBondContact O-N 2.96Å; S613-E616 WeakPolarHBondContact OG-CB 3.35Å; S613-E616 VanDerWaalsContact OG-CD 3.22Å; S613-E616 WeakPolarHBondContact OG-CG 3.47Å; S613-E616 PolarHBondContact OG-N 2.85Å; S613-E616 PolarHBondContact OG-OE2 2.82Å; S613-A617 WeakPolarHBondContact O-CB 3.25Å; S613-A617 PolarHBondContact O-N 3.2Å
614	S	90	Very high	89.5	Confident	65 Å²	65	62.7 Å²	62.7	46%	0.455	33%	0.329	S	S	.	.	H	α-helix	trans	-56.6	-37.5	176	-63.1	0	0	0	0	112.1	K606 E618	K606-S614 PolarHBondContact NZ-OG 3.13Å; S614-E618 WeakPolarHBondContact O-CB 3.35Å; S614-E618 PolarHBondContact O-N 3.29Å
615	D	92.1	Very high	89.3	Confident	119 Å²	119	61.9 Å²	61.9	64%	0.636	32%	0.324	S	S	*	.	H	α-helix	trans	-72.2	-39.3	-178.7	-68.1	-15.9	0	0	0	112.4	S613 E618 R619	S613-D615 PolarHBondContact O-N 3.39Å; D615-E618 PolarHBondContact O-N 3.39Å; D615-R619 WeakPolarHBondContact O-CB 3.06Å; D615-R619 WeakPolarHBondContact O-CG 3.34Å; D615-R619 PolarHBondContact O-N 3.29Å
616	E	92.2	Very high	88.8	Confident	90 Å²	90	67.1 Å²	67.1	42%	0.421	34%	0.344	S	S	.	.	H	α-helix	trans	-66.5	-42.5	174.9	-73	165.9	140.5	0	0	111.5	L612 S613 E618 R619 L620	L612-E616 HydrophobicContact CD2-CB 4.09Å; S613-E616 WeakPolarHBondContact CB-OE2 3.47Å; S613-E616 PolarHBondContact N-OE2 2.82Å; S613-E616 PolarHBondContact O-N 2.96Å; S613-E616 WeakPolarHBondContact OG-CB 3.35Å; S613-E616 VanDerWaalsContact OG-CD 3.22Å; S613-E616 WeakPolarHBondContact OG-CG 3.47Å; S613-E616 PolarHBondContact OG-N 2.85Å; S613-E616 PolarHBondContact OG-OE2 2.82Å; E616-E618 VanDerWaalsContact C-N 3.33Å; E616-E618 PolarHBondContact O-N 3.37Å; E616-R619 PolarHBondContact O-N 2.93Å; E616-L620 WeakPolarHBondContact O-CB 3.37Å; E616-L620 WeakPolarHBondContact O-CG 3.32Å; E616-L620 PolarHBondContact O-N 3.29Å
617	A	92.3	Very high	88.3	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-60.7	-42.9	175.3	0	0	0	0	0	111.3	V602 K606 L612 S613 L620 A621	V602-A617 HydrophobicContact CG1-CB 3.95Å; K606-A617 HydrophobicContact CD-CB 4.45Å; K606-A617 HydrophobicContact CG-CB 3.83Å; L612-A617 HydrophobicContact CB-CB 4.49Å; S613-A617 WeakPolarHBondContact O-CB 3.25Å; S613-A617 PolarHBondContact O-N 3.2Å; A617-L620 PolarHBondContact O-N 2.65Å; A617-A621 WeakPolarHBondContact O-CB 3.24Å; A617-A621 PolarHBondContact O-N 3.04Å
618	E	93.5	Very high	88	Confident	74 Å²	74	66.3 Å²	66.3	35%	0.346	32%	0.322	S	S	.	.	H	α-helix	trans	-64.4	-41.7	175	-175.4	62.5	-131.6	0	0	112.3	V602 S614 D615 E616 T622	V602-E618 HydrophobicContact CG2-CB 4.27Å; V602-E618 WeakPolarHBondContact CG2-OE2 3.45Å; S614-E618 WeakPolarHBondContact O-CB 3.35Å; S614-E618 PolarHBondContact O-N 3.29Å; D615-E618 PolarHBondContact O-N 3.39Å; E616-E618 VanDerWaalsContact C-N 3.33Å; E616-E618 PolarHBondContact O-N 3.37Å; E618-T622 WeakPolarHBondContact O-CB 3.25Å; E618-T622 PolarHBondContact O-N 2.86Å; E618-T622 PolarHBondContact O-OG1 3.09Å; E618-T622 VanDerWaalsContact O-OG1 3.13Å; E618-T622 PolarHBondContact OE1-OG1 3.48Å
619	R	92.8	Very high	87.5	Confident	189 Å²	189	64.7 Å²	64.7	71%	0.713	32%	0.315	S	S	*	.	H	α-helix	trans	-61.8	-46.2	174.9	-80.7	-177.3	-173.1	153.6	4.1	111.9	D615 E616 T622 K623	D615-R619 WeakPolarHBondContact O-CB 3.06Å; D615-R619 WeakPolarHBondContact O-CG 3.34Å; D615-R619 PolarHBondContact O-N 3.29Å; E616-R619 PolarHBondContact O-N 2.93Å; R619-T622 PolarHBondContact O-N 3.32Å; R619-K623 WeakPolarHBondContact O-CB 3.38Å; R619-K623 PolarHBondContact O-N 3.46Å
620	L	91	Very high	86.7	Confident	37 Å²	37	62.6 Å²	62.6	19%	0.194	31%	0.311	C	S	.	.	H	α-helix	trans	-63.3	-47.7	178.3	-77.7	171.2	0	0	0	111.5	M578 L605 L612 E616 A617 T622 K623 L624	M578-L620 HydrophobicContact CE-CD2 4.45Å; M578-L620 HydrophobicContact SD-CB 4.27Å; L605-L620 HydrophobicContact CD1-CB 4.42Å; L612-L620 HydrophobicContact CD1-CD1 3.92Å; L612-L620 HydrophobicContact CD2-CD1 4.2Å; E616-L620 WeakPolarHBondContact O-CB 3.37Å; E616-L620 WeakPolarHBondContact O-CG 3.32Å; E616-L620 PolarHBondContact O-N 3.29Å; A617-L620 PolarHBondContact O-N 2.65Å; L620-T622 VanDerWaalsContact C-N 3.35Å; L620-T622 PolarHBondContact O-N 3.06Å; L620-K623 PolarHBondContact O-N 3.41Å; L620-L624 PolarHBondContact O-N 3.25Å
621	A	90.5	Very high	86	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-60.4	-45	176.1	0	0	0	0	0	111.3	A601 V602 L605 A617 K623 L624 Y625	A601-A621 HydrophobicContact CB-CB 4.12Å; V602-A621 HydrophobicContact CG2-CB 3.53Å; L605-A621 HydrophobicContact CD1-CB 4.3Å; A617-A621 WeakPolarHBondContact O-CB 3.24Å; A617-A621 PolarHBondContact O-N 3.04Å; A621-K623 VanDerWaalsContact C-N 3.35Å; A621-K623 PolarHBondContact O-N 3.01Å; A621-L624 PolarHBondContact O-N 2.91Å; A621-Y625 WeakPolarHBondContact O-CD2 3.41Å; A621-Y625 PolarHBondContact O-N 3.01Å
622	T	89.3	Confident	85.1	Confident	44 Å²	44	63 Å²	63	27%	0.27	30%	0.297	S	S	.	.	H	α-helix	trans	-62.9	-40.7	176.9	-73.7	0	0	0	0	111.8	E618 R619 L620 R626	E618-T622 WeakPolarHBondContact O-CB 3.25Å; E618-T622 PolarHBondContact O-N 2.86Å; E618-T622 PolarHBondContact O-OG1 3.09Å; E618-T622 VanDerWaalsContact O-OG1 3.13Å; E618-T622 PolarHBondContact OE1-OG1 3.48Å; R619-T622 PolarHBondContact O-N 3.32Å; L620-T622 VanDerWaalsContact C-N 3.35Å; L620-T622 PolarHBondContact O-N 3.06Å; T622-R626 WeakPolarHBondContact O-CB 3.34Å; T622-R626 PolarHBondContact O-N 3.32Å
623	K	87.8	Confident	84	Confident	123 Å²	123	64.9 Å²	64.9	54%	0.535	31%	0.309	S	S	.	.	H	α-helix	trans	-60.2	-48.5	174.5	-175.3	-177.6	175.5	-174.3	0	111.2	R619 L620 A621 R626 R627	R619-K623 WeakPolarHBondContact O-CB 3.38Å; R619-K623 PolarHBondContact O-N 3.46Å; L620-K623 PolarHBondContact O-N 3.41Å; A621-K623 VanDerWaalsContact C-N 3.35Å; A621-K623 PolarHBondContact O-N 3.01Å; K623-R626 PolarHBondContact O-N 2.82Å; K623-R627 WeakPolarHBondContact O-CB 3.39Å; K623-R627 PolarHBondContact O-N 2.94Å
624	L	86.6	Confident	82.3	Confident	1 Å²	1	69.1 Å²	69.1	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-59.8	-50.6	178.8	179.2	62.9	0	0	0	112.2	I574 M578 L588 L620 A621 R626 R627 T628	I574-L624 HydrophobicContact CG1-CD1 4.33Å; I574-L624 HydrophobicContact CG2-CD1 4.48Å; M578-L624 HydrophobicContact CE-CB 3.71Å; M578-L624 HydrophobicContact CE-CD1 4.27Å; M578-L624 HydrophobicContact CE-CD2 4.45Å; M578-L624 HydrophobicContact CE-CG 4.35Å; M578-L624 HydrophobicContact CG-CD2 4.25Å; M578-L624 HydrophobicContact SD-CB 4.07Å; M578-L624 HydrophobicContact SD-CD2 3.97Å; M578-L624 HydrophobicContact SD-CG 4.48Å; L588-L624 HydrophobicContact CD2-CD2 3.88Å; L588-L624 HydrophobicContact CG-CD2 4.48Å; L620-L624 PolarHBondContact O-N 3.25Å; A621-L624 PolarHBondContact O-N 2.91Å; L624-R626 VanDerWaalsContact C-N 3.32Å; L624-R626 PolarHBondContact O-N 2.87Å; L624-R627 PolarHBondContact O-N 2.95Å; L624-T628 HydrophobicContact CD1-CG2 4.16Å; L624-T628 WeakPolarHBondContact O-CB 3.16Å; L624-T628 WeakPolarHBondContact O-CG2 3.43Å; L624-T628 PolarHBondContact O-N 2.86Å; L624-T628 PolarHBondContact O-OG1 3.01Å
625	Y	84.8	Confident	80.5	Confident	13 Å²	13	68 Å²	68	5%	0.051	31%	0.309	C	S	.	.	H	α-helix	trans	-65.8	-37.8	-179	-85.5	-110.6	0	0	0	111.5	R592 A596 G597 R598 A601 A621 T628 K629 G630	R592-Y625 HydrophobicContact CG-CE1 3.99Å; R592-Y625 HydrophobicContact CG-CE2 4.11Å; A596-Y625 WeakPolarHBondContact O-CE1 3.34Å; A596-Y625 PolarHBondContact O-OH 2.93Å; G597-Y625 PolarHBondContact O-OH 2.88Å; G597-Y625 VanDerWaalsContact O-OH 3.06Å; R598-Y625 HydrophobicContact CG-CD1 3.84Å; R598-Y625 HydrophobicContact CG-CD2 3.93Å; R598-Y625 HydrophobicContact CG-CE1 4.35Å; R598-Y625 HydrophobicContact CG-CE2 4.42Å; R598-Y625 HydrophobicContact CG-CG 3.62Å; A601-Y625 HydrophobicContact CB-CE2 3.54Å; A621-Y625 WeakPolarHBondContact O-CD2 3.41Å; A621-Y625 PolarHBondContact O-N 3.01Å; Y625-T628 PolarHBondContact O-N 3.09Å; Y625-K629 HydrophobicContact CD1-CD 3.73Å; Y625-K629 HydrophobicContact CE1-CD 3.99Å; Y625-K629 WeakPolarHBondContact O-CB 3.4Å; Y625-K629 PolarHBondContact O-N 3.49Å; Y625-G630 PolarHBondContact O-N 3.39Å
626	R	79.9	Confident	78	Confident	110 Å²	110	71.7 Å²	71.7	42%	0.415	32%	0.315	S	S	.	.	H	α-helix	trans	-64.9	-40.5	175.8	-173.1	174.1	179.1	173.5	-6.8	111.6	T622 K623 L624 F684	T622-R626 WeakPolarHBondContact O-CB 3.34Å; T622-R626 PolarHBondContact O-N 3.32Å; K623-R626 PolarHBondContact O-N 2.82Å; L624-R626 VanDerWaalsContact C-N 3.32Å; L624-R626 PolarHBondContact O-N 2.87Å; R626-F684 HydrophobicContact CG-CZ 4.37Å; R626-F684 WeakPolarHBondContact O-CD1 3.47Å; R626-F684 WeakPolarHBondContact O-CE1 3.29Å; R626-F684 VanDerWaalsContact O-CG 3.25Å; R626-F684 WeakPolarHBondContact O-CG 3.49Å
627	R	79.2	Confident	75.6	Confident	115 Å²	115	75 Å²	75	43%	0.434	33%	0.331	S	S	.	.	H	α-helix	trans	-68.4	-35.1	177.8	-169.3	175.6	-175.4	161.8	1.2	112.6	E577 K623 L624 F684 S685	E577-R627 WeakPolarHBondContact OE1-CD 3.35Å; E577-R627 IonicContact OE1-CZ 3.47Å; E577-R627 IonicContact OE1-NH1 3Å; E577-R627 PolarHBondContact OE1-NH1 3.29Å; E577-R627 WeakPolarHBondContact OE2-CD 3.38Å; E577-R627 IonicContact OE2-CZ 2.78Å; E577-R627 IonicContact OE2-NE 2.98Å; E577-R627 IonicContact OE2-NH1 3.36Å; E577-R627 PolarHBondContact OE2-NH1 3.24Å; K623-R627 WeakPolarHBondContact O-CB 3.39Å; K623-R627 PolarHBondContact O-N 2.94Å; L624-R627 PolarHBondContact O-N 2.95Å; R627-F684 WeakPolarHBondContact O-CD1 3.07Å; R627-S685 PolarHBondContact O-OG 2.93Å
628	T	79.8	Confident	73.1	Confident	10 Å²	10	84.2 Å²	84.2	6%	0.061	37%	0.37	C	S	.	.	H	α-helix	trans	-97.4	-65.7	-173.3	55.9	0	0	0	0	114.1	R592 L624 Y625 E686	R592-T628 PolarHBondContact NH1-OG1 3.24Å; L624-T628 HydrophobicContact CD1-CG2 4.16Å; L624-T628 WeakPolarHBondContact O-CB 3.16Å; L624-T628 WeakPolarHBondContact O-CG2 3.43Å; L624-T628 PolarHBondContact O-N 2.86Å; L624-T628 PolarHBondContact O-OG1 3.01Å; Y625-T628 PolarHBondContact O-N 3.09Å; T628-E686 WeakPolarHBondContact O-CB 3.13Å; T628-E686 PolarHBondContact O-N 3.25Å
629	K	77.3	Confident	70.4	Confident	19 Å²	19	87.1 Å²	87.1	8%	0.083	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-39.2	-178.5	-97.5	177.8	175.1	177.2	0	112.2	A596 Y625 K681 S687 F690	A596-K629 PolarHBondContact O-NZ 3.46Å; Y625-K629 HydrophobicContact CD1-CD 3.73Å; Y625-K629 HydrophobicContact CE1-CD 3.99Å; Y625-K629 WeakPolarHBondContact O-CB 3.4Å; Y625-K629 PolarHBondContact O-N 3.49Å; K629-K681 HydrophobicContact CB-CD 4.5Å; K629-S687 PolarHBondContact O-OG 2.76Å; K629-F690 HydrophobicContact CB-CD2 4.2Å; K629-F690 HydrophobicContact CB-CE2 4.17Å; K629-F690 HydrophobicContact CD-CD1 4.34Å; K629-F690 HydrophobicContact CD-CD2 4.44Å; K629-F690 HydrophobicContact CD-CE1 4.11Å; K629-F690 HydrophobicContact CD-CE2 4.18Å; K629-F690 HydrophobicContact CD-CZ 4Å; K629-F690 VanDerWaalsContact CE-CD1 3.43Å; K629-F690 HydrophobicContact CG-CD1 4.08Å; K629-F690 HydrophobicContact CG-CD2 3.36Å; K629-F690 HydrophobicContact CG-CE1 3.94Å; K629-F690 HydrophobicContact CG-CE2 3.16Å; K629-F690 HydrophobicContact CG-CG 3.82Å; K629-F690 HydrophobicContact CG-CZ 3.48Å; K629-F690 VanDerWaalsContact CG-CZ 3.48Å
630	G	72.7	Confident	67.8	Low	14 Å²	14	81.3 Å²	81.3	14%	0.144	38%	0.379	C	S	.	.			trans	85.4	-159.6	-173.6	0	0	0	0	0	114.8	Y625 F684	Y625-G630 PolarHBondContact O-N 3.39Å; G630-F684 VanDerWaalsContact CA-CG 3.49Å
631	R	68.5	Low	65.5	Low	135 Å²	135	82.9 Å²	82.9	51%	0.509	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	139.8	-177	-75	-178.8	169	-176.9	-10.8	111.1	K681 L682	R631-K681 WeakPolarHBondContact O-CA 3.33Å; R631-L682 PolarHBondContact O-N 3.43Å
632	N	68.9	Low	63.2	Low	94 Å²	94	85.9 Å²	85.9	50%	0.503	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	133.4	169.5	-69.1	-0.6	0	0	0	109.5	M680 K681	N632-M680 CarbonylContact C-O 3.52Å; N632-M680 WeakPolarHBondContact CA-O 3.43Å; N632-K681 WeakPolarHBondContact OD1-CE 3.35Å; N632-K681 WeakPolarHBondContact OD1-CG 3.36Å
633	V	64.5	Low	60.9	Low	58 Å²	58	86.4 Å²	86.4	35%	0.352	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	130.8	176.2	-174.2	0	0	0	0	107.1	M680 L682	V633-M680 PolarHBondContact N-O 3.35Å; V633-M680 PolarHBondContact O-N 3.3Å; V633-L682 HydrophobicContact CB-CD1 3.9Å; V633-L682 HydrophobicContact CG1-CD1 4.16Å; V633-L682 HydrophobicContact CG2-CB 4.16Å; V633-L682 HydrophobicContact CG2-CD1 4.09Å
634	Y	55.1	Low	58.8	Low	142 Å²	142	84.8 Å²	84.8	56%	0.557	41%	0.411	S	S	*	.			trans	-90.5	123.7	172.1	-67.3	-91.4	0	0	0	108.4	Y636 P679	Y634-Y636 HydrophobicContact CG-CE2 4.37Å; Y634-P679 HydrophobicContact CD1-CB 4.05Å; Y634-P679 HydrophobicContact CE1-CB 3.63Å; Y634-P679 HydrophobicContact CE1-CG 3.82Å; Y634-P679 HydrophobicContact CE2-CB 4.47Å
635	V	52.1	Low	56.7	Low	42 Å²	42	90 Å²	90	26%	0.255	43%	0.431	S	S	.	.			trans	-100.8	101.7	175.5	-176.3	0	0	0	0	107.5	V640 M680	V635-V640 HydrophobicContact CG1-CG2 4.01Å; V635-M680 HydrophobicContact CB-CE 4.39Å; V635-M680 HydrophobicContact CG2-CE 3.89Å
636	Y	40.1	Very low	54.6	Low	196 Å²	196	91.9 Å²	91.9	77%	0.769	45%	0.445	S	S	*	.			trans	-91.9	118.5	174.9	-77.4	-86.2	0	0	0	110.3	Y634	Y634-Y636 HydrophobicContact CG-CE2 4.37Å
637	E	41.4	Very low	52.6	Low	160 Å²	160	93 Å²	93	75%	0.748	45%	0.453	S	S	*	.	S	Bend	trans	64.8	160.7	160.3	-126.2	176.6	-179.8	0	0	121.2	T639	E637-T639 PolarHBondContact O-N 3.28Å
638	K	38.9	Very low	50.8	Low	192 Å²	192	89.8 Å²	89.8	84%	0.835	45%	0.446	S	S	*	.	S	Bend	trans	-61	14.3	-155.7	-87.4	176	173.8	173.9	0	119.2
639	T	37.3	Very low	49	Very low	135 Å²	135	92.8 Å²	92.8	83%	0.828	46%	0.462	S	S	*	.			trans	-139	37.1	-174.2	24	0	0	0	0	113.1	E637 S641	E637-T639 PolarHBondContact O-N 3.28Å; T639-S641 VanDerWaalsContact C-N 3.34Å; T639-S641 PolarHBondContact O-N 3.36Å; T639-S641 VanDerWaalsContact O-N 3.09Å
640	V	38.2	Very low	47.1	Very low	67 Å²	67	94.4 Å²	94.4	41%	0.406	48%	0.475	S	S	.	.			trans	-80	93.4	161.7	-174.8	0	0	0	0	107.6	V635 L642 I644	V635-V640 HydrophobicContact CG1-CG2 4.01Å; V640-L642 PolarHBondContact O-N 3.22Å; V640-I644 HydrophobicContact CG1-CB 3.7Å; V640-I644 HydrophobicContact CG1-CD1 4.14Å; V640-I644 HydrophobicContact CG1-CG1 4.45Å; V640-I644 HydrophobicContact CG1-CG2 3.93Å
641	S	41.6	Very low	45.2	Very low	71 Å²	71	104 Å²	104	50%	0.497	51%	0.506	S	S	.	.			trans	-43	129.8	165.9	172.1	0	0	0	0	108.7	T639 S643 I644	T639-S641 VanDerWaalsContact C-N 3.34Å; T639-S641 PolarHBondContact O-N 3.36Å; T639-S641 VanDerWaalsContact O-N 3.09Å; S641-S643 PolarHBondContact O-N 2.98Å; S641-S643 WeakPolarHBondContact OG-CB 3.39Å; S641-S643 PolarHBondContact OG-N 3.35Å; S641-S643 PolarHBondContact OG-OG 2.89Å; S641-S643 VanDerWaalsContact OG-OG 3.04Å; S641-I644 PolarHBondContact O-N 3.24Å
642	L	44.1	Very low	43.6	Very low	63 Å²	63	103.1 Å²	103.1	33%	0.33	50%	0.504	S	S	.	.	H	α-helix	trans	-50.5	-17.5	176.7	-156.4	81.3	0	0	0	112.2	V640 I644 Y645 C646 I669	V640-L642 PolarHBondContact O-N 3.22Å; L642-I644 VanDerWaalsContact C-N 3.27Å; L642-I644 PolarHBondContact O-N 3.38Å; L642-Y645 HydrophobicContact CD1-CD1 4.48Å; L642-Y645 WeakPolarHBondContact O-CB 3.33Å; L642-Y645 PolarHBondContact O-N 3.31Å; L642-Y645 VanDerWaalsContact O-N 3.16Å; L642-C646 WeakPolarHBondContact O-CB 3.44Å; L642-C646 PolarHBondContact O-N 3.48Å; L642-C646 PolarHBondContact O-SG 2.95Å; L642-C646 VanDerWaalsContact O-SG 3.41Å; L642-I669 HydrophobicContact CD1-CG2 4.26Å; L642-I669 HydrophobicContact CD2-CB 3.74Å; L642-I669 HydrophobicContact CD2-CD1 3.34Å; L642-I669 HydrophobicContact CD2-CG1 4.02Å; L642-I669 HydrophobicContact CD2-CG2 3.75Å
643	S	40.4	Very low	41.8	Very low	55 Å²	55	106.5 Å²	106.5	39%	0.385	52%	0.517	S	S	.	.	H	α-helix	trans	-56.1	-34.4	169.4	73.1	0	0	0	0	114.2	S641 K647	S641-S643 PolarHBondContact O-N 2.98Å; S641-S643 WeakPolarHBondContact OG-CB 3.39Å; S641-S643 PolarHBondContact OG-N 3.35Å; S641-S643 PolarHBondContact OG-OG 2.89Å; S641-S643 VanDerWaalsContact OG-OG 3.04Å; S643-K647 WeakPolarHBondContact O-CB 3.33Å; S643-K647 WeakPolarHBondContact O-CG 3.15Å; S643-K647 PolarHBondContact O-N 2.83Å
644	I	42.5	Very low	40.6	Very low	89 Å²	89	107.6 Å²	107.6	46%	0.456	52%	0.52	S	S	.	.	H	α-helix	trans	-76.1	-41.5	175.3	-68.8	171.8	0	0	0	109.5	V640 S641 L642 C646 K647 V648	V640-I644 HydrophobicContact CG1-CB 3.7Å; V640-I644 HydrophobicContact CG1-CD1 4.14Å; V640-I644 HydrophobicContact CG1-CG1 4.45Å; V640-I644 HydrophobicContact CG1-CG2 3.93Å; S641-I644 PolarHBondContact O-N 3.24Å; L642-I644 VanDerWaalsContact C-N 3.27Å; L642-I644 PolarHBondContact O-N 3.38Å; I644-C646 VanDerWaalsContact C-N 3.31Å; I644-C646 PolarHBondContact O-N 3.5Å; I644-K647 PolarHBondContact O-N 3.23Å; I644-V648 HydrophobicContact CG2-CG2 4.15Å; I644-V648 WeakPolarHBondContact O-CB 3.5Å; I644-V648 WeakPolarHBondContact O-CG2 3.35Å; I644-V648 PolarHBondContact O-N 2.95Å
645	Y	42.6	Very low	39.9	Very low	109 Å²	109	105.5 Å²	105.5	43%	0.427	53%	0.527	S	S	.	.	H	α-helix	trans	-59.5	-42.5	175.1	-156.4	-101.3	0	0	0	111.3	L642 V648 L649 L682	L642-Y645 HydrophobicContact CD1-CD1 4.48Å; L642-Y645 WeakPolarHBondContact O-CB 3.33Å; L642-Y645 PolarHBondContact O-N 3.31Å; L642-Y645 VanDerWaalsContact O-N 3.16Å; Y645-V648 PolarHBondContact O-N 3.42Å; Y645-L649 HydrophobicContact CD1-CD1 3.48Å; Y645-L649 VanDerWaalsContact CD1-CD1 3.48Å; Y645-L649 HydrophobicContact CE1-CD1 3.48Å; Y645-L649 VanDerWaalsContact CE1-CD1 3.48Å; Y645-L649 HydrophobicContact CG-CD1 4.4Å; Y645-L649 WeakPolarHBondContact O-CB 3.1Å; Y645-L649 WeakPolarHBondContact O-CD1 3.18Å; Y645-L649 WeakPolarHBondContact O-CG 3.41Å; Y645-L649 PolarHBondContact O-N 2.81Å; Y645-L682 HydrophobicContact CE2-CD2 4.13Å
646	C	40.6	Very low	39.3	Very low	53 Å²	53	112.1 Å²	112.1	36%	0.358	56%	0.555	S	S	.	*	H	α-helix	trans	-70	-41	173.4	-69.3	0	0	0	0	113.5	L642 I644 V648 L649 C650	L642-C646 WeakPolarHBondContact O-CB 3.44Å; L642-C646 PolarHBondContact O-N 3.48Å; L642-C646 PolarHBondContact O-SG 2.95Å; L642-C646 VanDerWaalsContact O-SG 3.41Å; I644-C646 VanDerWaalsContact C-N 3.31Å; I644-C646 PolarHBondContact O-N 3.5Å; C646-V648 PolarHBondContact O-N 3.44Å; C646-L649 PolarHBondContact O-N 3.35Å; C646-C650 WeakPolarHBondContact O-CB 3.27Å; C646-C650 PolarHBondContact O-N 3.47Å
647	K	38.3	Very low	39.3	Very low	134 Å²	134	107 Å²	107	58%	0.583	54%	0.539	S	S	*	.	H	α-helix	trans	-61	-30.6	174	-86	176.1	176.1	-178.3	0	112.6	S643 I644 L654	S643-K647 WeakPolarHBondContact O-CB 3.33Å; S643-K647 WeakPolarHBondContact O-CG 3.15Å; S643-K647 PolarHBondContact O-N 2.83Å; I644-K647 PolarHBondContact O-N 3.23Å; K647-L654 HydrophobicContact CG-CD1 3.87Å
648	V	42.2	Very low	39.5	Very low	48 Å²	48	104.4 Å²	104.4	29%	0.291	53%	0.53	S	S	.	.	H	α-helix	trans	-84.3	-34.8	-178.7	170.2	0	0	0	0	111.2	I644 Y645 C646 L682 C683	I644-V648 HydrophobicContact CG2-CG2 4.15Å; I644-V648 WeakPolarHBondContact O-CB 3.5Å; I644-V648 WeakPolarHBondContact O-CG2 3.35Å; I644-V648 PolarHBondContact O-N 2.95Å; Y645-V648 PolarHBondContact O-N 3.42Å; C646-V648 PolarHBondContact O-N 3.44Å; V648-L682 HydrophobicContact CG1-CB 4.13Å; V648-L682 HydrophobicContact CG1-CD1 4.36Å; V648-C683 WeakPolarHBondContact CG1-SG 3.39Å
649	L	40.8	Very low	40	Very low	73 Å²	73	102.5 Å²	102.5	38%	0.382	52%	0.524	S	S	.	.	H	α-helix	trans	-75.1	-31.6	174.9	-79.7	162.1	0	0	0	113.7	Y645 C646	Y645-L649 HydrophobicContact CD1-CD1 3.48Å; Y645-L649 VanDerWaalsContact CD1-CD1 3.48Å; Y645-L649 HydrophobicContact CE1-CD1 3.48Å; Y645-L649 VanDerWaalsContact CE1-CD1 3.48Å; Y645-L649 HydrophobicContact CG-CD1 4.4Å; Y645-L649 WeakPolarHBondContact O-CB 3.1Å; Y645-L649 WeakPolarHBondContact O-CD1 3.18Å; Y645-L649 WeakPolarHBondContact O-CG 3.41Å; Y645-L649 PolarHBondContact O-N 2.81Å; C646-L649 PolarHBondContact O-N 3.35Å
650	C	37.8	Very low	40.5	Very low	53 Å²	53	102 Å²	102	36%	0.358	52%	0.516	S	S	.	.			trans	-107.8	86.3	-178.9	-64.3	0	0	0	0	110.5	C646 Y652	C646-C650 WeakPolarHBondContact O-CB 3.27Å; C646-C650 PolarHBondContact O-N 3.47Å; C650-Y652 PolarHBondContact O-N 3.37Å
651	R	34	Very low	40.9	Very low	214 Å²	214	105.2 Å²	105.2	81%	0.808	53%	0.525	S	S	*	.			trans	-70.7	36	156.8	-100.2	-170	179.1	-149.4	-6.2	112.1
652	Y	34.4	Very low	41	Very low	118 Å²	118	107.1 Å²	107.1	46%	0.463	52%	0.524	S	S	.	.	S	Bend	trans	-102.9	128.4	165.4	-93.4	-103.7	0	0	0	107	L11 K14 C650 L654	L11-Y652 HydrophobicContact CD2-CD2 3.33Å; L11-Y652 HydrophobicContact CD2-CE1 4.44Å; L11-Y652 HydrophobicContact CD2-CE2 2.88Å; L11-Y652 HydrophobicContact CD2-CG 4.3Å; L11-Y652 HydrophobicContact CG-CE2 4.38Å; K14-Y652 WeakPolarHBondContact CD-OH 3.36Å; C650-Y652 PolarHBondContact O-N 3.37Å; Y652-L654 PolarHBondContact O-N 3.12Å
653	E	31.5	Very low	40.9	Very low	164 Å²	164	108.4 Å²	108.4	77%	0.766	54%	0.538	S	S	*	.			trans	-45.3	111.5	-179.4	-70.3	171.5	145.8	0	0	110.7	S655	E653-S655 WeakPolarHBondContact CB-OG 3.41Å; E653-S655 PolarHBondContact O-N 2.93Å
654	L	39.2	Very low	40.9	Very low	82 Å²	82	112.4 Å²	112.4	43%	0.429	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-69.5	10.5	172	-91.4	162.2	0	0	0	112.6	K647 Y652 E656 M657	K647-L654 HydrophobicContact CG-CD1 3.87Å; Y652-L654 PolarHBondContact O-N 3.12Å; L654-E656 VanDerWaalsContact C-N 3.31Å; L654-M657 HydrophobicContact CD2-SD 3.94Å
655	S	40	Very low	40.8	Very low	98 Å²	98	112.5 Å²	112.5	69%	0.685	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-77.2	-12.4	179.1	51.7	0	0	0	0	113.8	E653	E653-S655 WeakPolarHBondContact CB-OG 3.41Å; E653-S655 PolarHBondContact O-N 2.93Å
656	E	39.8	Very low	40.4	Very low	181 Å²	181	112.8 Å²	112.8	85%	0.846	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-113.2	5.9	-177.4	-65.2	-170.6	162.9	0	0	114.7	L654	L654-E656 VanDerWaalsContact C-N 3.31Å
657	M	40	Very low	40.1	Very low	88 Å²	88	115.1 Å²	115.1	43%	0.433	58%	0.584	S	S	.	*	S	Bend	trans	-87.2	113.9	174.5	-89.8	-173.7	66.7	0	0	111.6	L654 E659 K661	L654-M657 HydrophobicContact CD2-SD 3.94Å; M657-E659 PolarHBondContact O-N 3.49Å; M657-K661 HydrophobicContact CE-CB 4.32Å
658	D	44.4	Very low	39.9	Very low	106 Å²	106	115.4 Å²	115.4	57%	0.567	59%	0.59	S	S	*	*			trans	-44.9	127.6	168.9	-168.1	-3.2	0	0	0	111.7	N660 K661	D658-N660 PolarHBondContact O-N 3.4Å; D658-N660 VanDerWaalsContact O-N 3.09Å; D658-K661 PolarHBondContact O-N 3.46Å; D658-K661 VanDerWaalsContact O-N 3.13Å
659	E	50.3	Low	39.6	Very low	152 Å²	152	117.6 Å²	117.6	71%	0.71	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-57.5	-28.8	-172.2	-79.9	-163.4	144.5	0	0	112.8	M657 K661 K662	M657-E659 PolarHBondContact O-N 3.49Å; E659-K661 VanDerWaalsContact C-N 3.3Å; E659-K661 PolarHBondContact O-N 3.28Å; E659-K662 PolarHBondContact O-N 3.41Å
660	N	47.7	Very low	38.9	Very low	123 Å²	123	126.1 Å²	126.1	66%	0.658	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-65.5	-29.2	-178.8	-74.5	-35.6	0	0	0	113.6	D658 K662 S663	D658-N660 PolarHBondContact O-N 3.4Å; D658-N660 VanDerWaalsContact O-N 3.09Å; N660-K662 PolarHBondContact O-N 2.79Å; N660-S663 PolarHBondContact O-N 3.01Å; N660-S663 PolarHBondContact O-OG 3.02Å
661	K	46.4	Very low	38.8	Very low	136 Å²	136	129 Å²	129	59%	0.591	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-80.2	-12	179.3	-75.4	-175.6	178.3	173.9	0	114.3	M657 D658 E659 S663	M657-K661 HydrophobicContact CE-CB 4.32Å; D658-K661 PolarHBondContact O-N 3.46Å; D658-K661 VanDerWaalsContact O-N 3.13Å; E659-K661 VanDerWaalsContact C-N 3.3Å; E659-K661 PolarHBondContact O-N 3.28Å; K661-S663 PolarHBondContact O-N 3.22Å
662	K	43.3	Very low	38.6	Very low	110 Å²	110	125.7 Å²	125.7	48%	0.478	65%	0.646	S	S	.	*	G	3₁₀ helix	trans	-69.6	-23.5	173.1	-75.7	173.9	-179.3	160.7	0	112.2	E659 N660	E659-K662 PolarHBondContact O-N 3.41Å; N660-K662 PolarHBondContact O-N 2.79Å
663	S	41.9	Very low	38.7	Very low	90 Å²	90	125.5 Å²	125.5	63%	0.629	66%	0.657	S	S	*	*	S	Bend	trans	-77.1	-20.5	-176.8	71.9	0	0	0	0	114.5	N660 K661 P666	N660-S663 PolarHBondContact O-N 3.01Å; N660-S663 PolarHBondContact O-OG 3.02Å; K661-S663 PolarHBondContact O-N 3.22Å; S663-P666 VanDerWaalsContact O-CD 3.27Å; S663-P666 WeakPolarHBondContact O-CD 3.46Å
664	E	40.6	Very low	38.9	Very low	139 Å²	139	125 Å²	125	65%	0.65	66%	0.66	S	S	*	*	S	Bend	trans	-89.4	-14.4	-175.7	-71.1	-174.3	152.7	0	0	114.8	S667	E664-S667 PolarHBondContact O-OG 3.16Å
665	I	40.7	Very low	39.1	Very low	91 Å²	91	125.4 Å²	125.4	47%	0.467	66%	0.661	S	S	.	*	G	3₁₀ helix	trans	-65.1	-26.2	-175	-62.1	177.4	0	0	0	114.9	S667	I665-S667 VanDerWaalsContact C-N 3.31Å; I665-S667 PolarHBondContact O-N 3.06Å
666	P	35.2	Very low	39	Very low	115 Å²	115	123.1 Å²	123.1	75%	0.747	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-70.6	-12	-176.9	-21.6	34	0	0	0	116.7	S663	S663-P666 VanDerWaalsContact O-CD 3.27Å; S663-P666 WeakPolarHBondContact O-CD 3.46Å
667	S	34	Very low	39.4	Very low	103 Å²	103	121.1 Å²	121.1	72%	0.72	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-94.7	-13.8	-169.6	67.4	0	0	0	0	116.1	E664 I665	E664-S667 PolarHBondContact O-OG 3.16Å; I665-S667 VanDerWaalsContact C-N 3.31Å; I665-S667 PolarHBondContact O-N 3.06Å
668	I	34.9	Very low	40	Very low	139 Å²	139	119.5 Å²	119.5	71%	0.713	65%	0.647	S	S	*	*	S	Bend	trans	-102.4	-11.8	-164.7	-69.9	175.9	0	0	0	115
669	I	34.2	Very low	40.6	Very low	95 Å²	95	116.4 Å²	116.4	49%	0.487	63%	0.633	S	S	.	*			trans	-135.4	81.7	-167.2	-53	178.5	0	0	0	111.5	L642	L642-I669 HydrophobicContact CD1-CG2 4.26Å; L642-I669 HydrophobicContact CD2-CB 3.74Å; L642-I669 HydrophobicContact CD2-CD1 3.34Å; L642-I669 HydrophobicContact CD2-CG1 4.02Å; L642-I669 HydrophobicContact CD2-CG2 3.75Å
670	R	27.4	Very low	41.1	Very low	252 Å²	252	110.7 Å²	110.7	95%	0.951	61%	0.606	S	S	*	*			trans	-108.7	81.2	156.5	-75	-172.5	-173.2	-173.2	2.9	108.5
671	T	35.2	Very low	42	Very low	114 Å²	114	105.7 Å²	105.7	70%	0.699	58%	0.579	S	S	*	*			trans	-121.1	106.7	159.4	-13	0	0	0	0	106.6	V673	T671-V673 PolarHBondContact O-N 3.01Å
672	T	29.8	Very low	42.6	Very low	144 Å²	144	100.2 Å²	100.2	88%	0.883	56%	0.556	S	S	*	*			trans	-56.8	103.5	168.7	7.1	0	0	0	0	108
673	V	37.5	Very low	43.4	Very low	114 Å²	114	97.8 Å²	97.8	69%	0.691	55%	0.552	S	S	*	*			trans	-90.4	117.1	163.8	-178	0	0	0	0	105.6	T671 I675	T671-V673 PolarHBondContact O-N 3.01Å; V673-I675 PolarHBondContact O-N 3.26Å
674	D	35	Very low	44.7	Very low	154 Å²	154	96.5 Å²	96.5	82%	0.824	54%	0.535	S	S	*	.			trans	-54.2	115.6	171.2	-76.4	-40.5	0	0	0	109.1	P676	D674-P676 WeakPolarHBondContact O-CD 3.27Å
675	I	42.2	Very low	46.1	Very low	90 Å²	90	91.7 Å²	91.7	46%	0.462	52%	0.517	S	S	.	.			trans	-79.9	120.6	179.8	-55.5	172	0	0	0	107.3	V673	V673-I675 PolarHBondContact O-N 3.26Å
676	P	39.6	Very low	48.1	Very low	50 Å²	50	87.5 Å²	87.5	33%	0.325	50%	0.495	S	S	.	.			trans	-78.2	141.2	168.5	22.5	-12.3	0	0	0	109.1	D674 C678	D674-P676 WeakPolarHBondContact O-CD 3.27Å; P676-C678 HydrophobicContact CB-CB 4.16Å; P676-C678 PolarHBondContact O-N 2.98Å
677	S	47.6	Very low	50.3	Low	139 Å²	139	82.2 Å²	82.2	97%	0.972	46%	0.461	S	S	*	.	S	Bend	trans	-66.6	29.4	169.9	45.7	0	0	0	0	113.6
678	C	52.5	Low	52.6	Low	53 Å²	53	79.5 Å²	79.5	36%	0.358	44%	0.438	S	S	.	.	S	Bend	trans	-123.4	143.2	-168.9	-172	0	0	0	0	110.3	P676 M680	P676-C678 HydrophobicContact CB-CB 4.16Å; P676-C678 PolarHBondContact O-N 2.98Å; C678-M680 PolarHBondContact O-N 3.24Å
679	P	56.4	Low	55.1	Low	42 Å²	42	72.9 Å²	72.9	27%	0.273	41%	0.405	S	S	.	.			trans	-52.1	137.4	173.7	16.4	-29.3	0	0	0	112.4	Y634	Y634-P679 HydrophobicContact CD1-CB 4.05Å; Y634-P679 HydrophobicContact CE1-CB 3.63Å; Y634-P679 HydrophobicContact CE1-CG 3.82Å; Y634-P679 HydrophobicContact CE2-CB 4.47Å
680	M	61.4	Low	57.6	Low	31 Å²	31	68.4 Å²	68.4	15%	0.153	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	144.7	173.7	-80.8	-165.4	-76.6	0	0	111.1	N632 V633 V635 C678	N632-M680 CarbonylContact C-O 3.52Å; N632-M680 WeakPolarHBondContact CA-O 3.43Å; V633-M680 PolarHBondContact N-O 3.35Å; V633-M680 PolarHBondContact O-N 3.3Å; V635-M680 HydrophobicContact CB-CE 4.39Å; V635-M680 HydrophobicContact CG2-CE 3.89Å; C678-M680 PolarHBondContact O-N 3.24Å
681	K	65.6	Low	60.3	Low	19 Å²	19	57 Å²	57	8%	0.083	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	126.5	167.6	-73.6	169	-179.8	156.6	0	109.9	K629 R631 N632 S687 F690 N691 E694	K629-K681 HydrophobicContact CB-CD 4.5Å; R631-K681 WeakPolarHBondContact O-CA 3.33Å; N632-K681 WeakPolarHBondContact OD1-CE 3.35Å; N632-K681 WeakPolarHBondContact OD1-CG 3.36Å; K681-S687 WeakPolarHBondContact O-CB 3.42Å; K681-F690 HydrophobicContact CD-CB 3.93Å; K681-N691 WeakPolarHBondContact CB-OD1 3.24Å; K681-N691 PolarHBondContact N-OD1 3.05Å; K681-N691 PolarHBondContact O-ND2 3.42Å; K681-E694 IonicContact NZ-OE1 3.81Å; K681-E694 PolarHBondContact NZ-OE1 2.86Å
682	L	60.1	Low	62.8	Low	20 Å²	20	52 Å²	52	11%	0.105	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	154.6	178.7	-73.7	165.6	0	0	0	111.1	R631 V633 Y645 V648 F684	R631-L682 PolarHBondContact O-N 3.43Å; V633-L682 HydrophobicContact CB-CD1 3.9Å; V633-L682 HydrophobicContact CG1-CD1 4.16Å; V633-L682 HydrophobicContact CG2-CB 4.16Å; V633-L682 HydrophobicContact CG2-CD1 4.09Å; Y645-L682 HydrophobicContact CE2-CD2 4.13Å; V648-L682 HydrophobicContact CG1-CB 4.13Å; V648-L682 HydrophobicContact CG1-CD1 4.36Å; L682-F684 WeakPolarHBondContact O-CD2 3.49Å
683	C	60.2	Low	65.6	Low	60 Å²	60	45.1 Å²	45.1	41%	0.405	27%	0.267	S	S	.	.	S	Bend	trans	82.1	17.8	163.5	-30.3	0	0	0	0	119.7	V648	V648-C683 WeakPolarHBondContact CG1-SG 3.39Å
684	F	69.2	Low	68	Low	63 Å²	63	41 Å²	41	28%	0.276	24%	0.241	S	C	.	.	S	Bend	trans	-145.2	171.4	-176.3	-69.6	-85.9	0	0	0	114.7	R626 R627 G630 L682 E686 S687	R626-F684 HydrophobicContact CG-CZ 4.37Å; R626-F684 WeakPolarHBondContact O-CD1 3.47Å; R626-F684 WeakPolarHBondContact O-CE1 3.29Å; R626-F684 VanDerWaalsContact O-CG 3.25Å; R626-F684 WeakPolarHBondContact O-CG 3.49Å; R627-F684 WeakPolarHBondContact O-CD1 3.07Å; G630-F684 VanDerWaalsContact CA-CG 3.49Å; L682-F684 WeakPolarHBondContact O-CD2 3.49Å; F684-E686 PolarHBondContact O-N 2.92Å; F684-S687 PolarHBondContact N-OG 3.06Å; F684-S687 PolarHBondContact O-N 2.85Å; F684-S687 PolarHBondContact O-OG 3.31Å
685	S	70	Confident	70.5	Confident	37 Å²	37	36.6 Å²	36.6	26%	0.259	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-22.5	-162.1	58.4	0	0	0	0	115.2	P554 N555 R627	P554-S685 WeakPolarHBondContact CD-O 3.33Å; N555-S685 PolarHBondContact N-O 3.16Å; R627-S685 PolarHBondContact O-OG 2.93Å
686	E	82.3	Confident	72.8	Confident	4 Å²	4	33.9 Å²	33.9	2%	0.019	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.7	8.7	-176	-45.2	-173.1	177.2	0	0	113	N555 Q570 R592 T628 F684 D688 M689 F690	N555-E686 HydrophobicContact CB-CG 4.06Å; Q570-E686 PolarHBondContact NE2-OE1 3.23Å; R592-E686 IonicContact CZ-OE1 3.5Å; R592-E686 IonicContact CZ-OE2 3.83Å; R592-E686 IonicContact NH1-OE1 3.4Å; R592-E686 IonicContact NH1-OE2 2.85Å; R592-E686 PolarHBondContact NH1-OE2 2.89Å; R592-E686 IonicContact NH2-OE1 2.75Å; R592-E686 PolarHBondContact NH2-OE1 3.32Å; R592-E686 IonicContact NH2-OE2 3.2Å; R592-E686 PolarHBondContact NH2-OE2 3.05Å; T628-E686 WeakPolarHBondContact O-CB 3.13Å; T628-E686 PolarHBondContact O-N 3.25Å; F684-E686 PolarHBondContact O-N 2.92Å; E686-D688 VanDerWaalsContact C-N 3.29Å; E686-D688 PolarHBondContact O-N 3.31Å; E686-M689 HydrophobicContact CB-CE 4.18Å; E686-M689 WeakPolarHBondContact O-CB 3.04Å; E686-M689 PolarHBondContact O-N 3.09Å; E686-M689 VanDerWaalsContact O-N 3.12Å; E686-F690 HydrophobicContact CB-CD2 4.06Å; E686-F690 HydrophobicContact CB-CE2 3.8Å; E686-F690 WeakPolarHBondContact O-CD2 3.25Å; E686-F690 PolarHBondContact O-N 3.13Å; E686-F690 WeakPolarHBondContact OE2-CE2 3.18Å
687	S	81.5	Confident	75.2	Confident	4 Å²	4	31.5 Å²	31.5	3%	0.028	19%	0.192	C	C	.	.	H	α-helix	trans	-58.2	-39.4	-175.2	-62.9	0	0	0	0	112.6	K629 K681 F684 M689 F690 N691	K629-S687 PolarHBondContact O-OG 2.76Å; K681-S687 WeakPolarHBondContact O-CB 3.42Å; F684-S687 PolarHBondContact N-OG 3.06Å; F684-S687 PolarHBondContact O-N 2.85Å; F684-S687 PolarHBondContact O-OG 3.31Å; S687-M689 VanDerWaalsContact C-N 3.33Å; S687-M689 PolarHBondContact O-N 3.38Å; S687-F690 PolarHBondContact O-N 2.87Å; S687-N691 WeakPolarHBondContact O-CB 3.45Å; S687-N691 PolarHBondContact O-N 3.34Å; S687-N691 PolarHBondContact O-ND2 2.99Å; S687-N691 VanDerWaalsContact O-ND2 3.17Å
688	D	83.2	Confident	77.1	Confident	45 Å²	45	29.7 Å²	29.7	24%	0.241	17%	0.168	C	C	.	.	H	α-helix	trans	-60.3	-41.3	177.1	-69.8	-54.5	0	0	0	112.8	T553 E686 N691 A692	T553-D688 HydrophobicContact CG2-CB 3.91Å; E686-D688 VanDerWaalsContact C-N 3.29Å; E686-D688 PolarHBondContact O-N 3.31Å; D688-N691 PolarHBondContact O-N 3.14Å; D688-A692 WeakPolarHBondContact O-CB 3.39Å; D688-A692 PolarHBondContact O-N 2.82Å
689	M	87.2	Confident	79	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-62.5	-49.8	176.4	173.1	-172.8	81.8	0	0	110.6	A538 N555 M593 E686 S687 N691 A692 L693	A538-M689 HydrophobicContact CB-CG 4.31Å; A538-M689 HydrophobicContact CB-SD 3.67Å; A538-M689 WeakPolarHBondContact O-CG 3.49Å; N555-M689 PolarHBondContact ND2-SD 3.4Å; N555-M689 VanDerWaalsContact ND2-SD 3.37Å; M593-M689 HydrophobicContact CG-CE 4.02Å; M593-M689 HydrophobicContact SD-CE 4.27Å; M593-M689 HydrophobicContact SD-SD 4.27Å; E686-M689 HydrophobicContact CB-CE 4.18Å; E686-M689 WeakPolarHBondContact O-CB 3.04Å; E686-M689 PolarHBondContact O-N 3.09Å; E686-M689 VanDerWaalsContact O-N 3.12Å; S687-M689 VanDerWaalsContact C-N 3.33Å; S687-M689 PolarHBondContact O-N 3.38Å; M689-N691 PolarHBondContact O-N 2.91Å; M689-A692 PolarHBondContact O-N 3.03Å; M689-L693 HydrophobicContact CG-CD1 3.88Å; M689-L693 HydrophobicContact CG-CG 4.4Å; M689-L693 WeakPolarHBondContact O-CB 3.35Å; M689-L693 VanDerWaalsContact O-CG 3.27Å; M689-L693 WeakPolarHBondContact O-CG 3.37Å; M689-L693 PolarHBondContact O-N 3.25Å
690	F	85.8	Confident	80.6	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.7	-41.5	179.7	-72.8	-68.6	0	0	0	112.2	K629 K681 E686 S687 A692 L693 E694 M725	K629-F690 HydrophobicContact CB-CD2 4.2Å; K629-F690 HydrophobicContact CB-CE2 4.17Å; K629-F690 HydrophobicContact CD-CD1 4.34Å; K629-F690 HydrophobicContact CD-CD2 4.44Å; K629-F690 HydrophobicContact CD-CE1 4.11Å; K629-F690 HydrophobicContact CD-CE2 4.18Å; K629-F690 HydrophobicContact CD-CZ 4Å; K629-F690 VanDerWaalsContact CE-CD1 3.43Å; K629-F690 HydrophobicContact CG-CD1 4.08Å; K629-F690 HydrophobicContact CG-CD2 3.36Å; K629-F690 HydrophobicContact CG-CE1 3.94Å; K629-F690 HydrophobicContact CG-CE2 3.16Å; K629-F690 HydrophobicContact CG-CG 3.82Å; K629-F690 HydrophobicContact CG-CZ 3.48Å; K629-F690 VanDerWaalsContact CG-CZ 3.48Å; K681-F690 HydrophobicContact CD-CB 3.93Å; E686-F690 HydrophobicContact CB-CD2 4.06Å; E686-F690 HydrophobicContact CB-CE2 3.8Å; E686-F690 WeakPolarHBondContact O-CD2 3.25Å; E686-F690 PolarHBondContact O-N 3.13Å; E686-F690 WeakPolarHBondContact OE2-CE2 3.18Å; S687-F690 PolarHBondContact O-N 2.87Å; F690-A692 VanDerWaalsContact C-N 3.32Å; F690-A692 PolarHBondContact O-N 3.26Å; F690-L693 PolarHBondContact O-N 2.88Å; F690-E694 VanDerWaalsContact O-CB 3.29Å; F690-E694 WeakPolarHBondContact O-CB 3.39Å; F690-E694 WeakPolarHBondContact O-CG 3.15Å; F690-E694 PolarHBondContact O-N 2.83Å; F690-M725 HydrophobicContact CD1-CE 3.65Å; F690-M725 HydrophobicContact CD1-SD 3.83Å; F690-M725 HydrophobicContact CE1-CE 3.72Å; F690-M725 HydrophobicContact CE1-SD 4.44Å
691	N	84.6	Confident	82	Confident	13 Å²	13	38.4 Å²	38.4	7%	0.07	20%	0.201	C	C	.	.	H	α-helix	trans	-61.7	-40.7	175.5	-69.1	-26.7	0	0	0	111.9	K681 S687 D688 M689 S695	K681-N691 WeakPolarHBondContact CB-OD1 3.24Å; K681-N691 PolarHBondContact N-OD1 3.05Å; K681-N691 PolarHBondContact O-ND2 3.42Å; S687-N691 WeakPolarHBondContact O-CB 3.45Å; S687-N691 PolarHBondContact O-N 3.34Å; S687-N691 PolarHBondContact O-ND2 2.99Å; S687-N691 VanDerWaalsContact O-ND2 3.17Å; D688-N691 PolarHBondContact O-N 3.14Å; M689-N691 PolarHBondContact O-N 2.91Å; N691-S695 WeakPolarHBondContact O-CB 3.25Å; N691-S695 PolarHBondContact O-N 2.93Å
692	A	87.6	Confident	83.4	Confident	8 Å²	8	37.5 Å²	37.5	7%	0.066	20%	0.197	C	C	.	.	H	α-helix	trans	-64.7	-46.3	177.2	0	0	0	0	0	111.2	F541 R545 D688 M689 F690 S695 I696	F541-A692 HydrophobicContact CB-CB 3.98Å; F541-A692 WeakPolarHBondContact O-CB 3.1Å; R545-A692 HydrophobicContact CB-CB 4.2Å; D688-A692 WeakPolarHBondContact O-CB 3.39Å; D688-A692 PolarHBondContact O-N 2.82Å; M689-A692 PolarHBondContact O-N 3.03Å; F690-A692 VanDerWaalsContact C-N 3.32Å; F690-A692 PolarHBondContact O-N 3.26Å; A692-S695 PolarHBondContact O-N 2.89Å; A692-I696 WeakPolarHBondContact O-CD1 3.47Å; A692-I696 WeakPolarHBondContact O-CG1 3.44Å; A692-I696 PolarHBondContact O-N 2.88Å
693	L	89.2	Confident	85.2	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.2	-47.2	179.6	-69.8	173.7	0	0	0	112.4	F541 M689 F690 S695 I696 A697 M725 V728 V729	F541-L693 HydrophobicContact CD2-CD2 3.45Å; F541-L693 VanDerWaalsContact CD2-CD2 3.45Å; F541-L693 HydrophobicContact CD2-CG 4.35Å; F541-L693 HydrophobicContact CE2-CD2 3.86Å; F541-L693 HydrophobicContact CG-CD2 4.49Å; M689-L693 HydrophobicContact CG-CD1 3.88Å; M689-L693 HydrophobicContact CG-CG 4.4Å; M689-L693 WeakPolarHBondContact O-CB 3.35Å; M689-L693 VanDerWaalsContact O-CG 3.27Å; M689-L693 WeakPolarHBondContact O-CG 3.37Å; M689-L693 PolarHBondContact O-N 3.25Å; F690-L693 PolarHBondContact O-N 2.88Å; L693-S695 VanDerWaalsContact C-N 3.33Å; L693-S695 PolarHBondContact O-N 3.44Å; L693-I696 PolarHBondContact O-N 3.43Å; L693-A697 WeakPolarHBondContact O-CB 3.5Å; L693-A697 PolarHBondContact O-N 3.3Å; L693-M725 HydrophobicContact CB-CG 3.42Å; L693-M725 VanDerWaalsContact CB-CG 3.42Å; L693-M725 HydrophobicContact CB-SD 3.51Å; L693-M725 VanDerWaalsContact CB-SD 3.51Å; L693-M725 HydrophobicContact CD1-CG 4.04Å; L693-M725 HydrophobicContact CD1-SD 3.93Å; L693-M725 HydrophobicContact CG-CG 4.25Å; L693-M725 HydrophobicContact CG-SD 4.38Å; L693-V728 HydrophobicContact CD2-CB 4Å; L693-V728 HydrophobicContact CD2-CG1 3.75Å; L693-V729 HydrophobicContact CD1-CG2 4.23Å; L693-V729 HydrophobicContact CD2-CG2 3.6Å
694	E	86.7	Confident	86.9	Confident	29 Å²	29	36.1 Å²	36.1	14%	0.136	18%	0.182	C	C	.	.	H	α-helix	trans	-61.6	-41.3	176.4	-76	172.6	-173.3	0	0	111.1	K681 F690 I696 A697 H698 M725	K681-E694 IonicContact NZ-OE1 3.81Å; K681-E694 PolarHBondContact NZ-OE1 2.86Å; F690-E694 VanDerWaalsContact O-CB 3.29Å; F690-E694 WeakPolarHBondContact O-CB 3.39Å; F690-E694 WeakPolarHBondContact O-CG 3.15Å; F690-E694 PolarHBondContact O-N 2.83Å; E694-I696 PolarHBondContact O-N 3.34Å; E694-A697 PolarHBondContact O-N 3.24Å; E694-H698 WeakPolarHBondContact O-CB 3.32Å; E694-H698 PolarHBondContact O-CD2 2.97Å; E694-H698 PolarHBondContact O-N 3.5Å; E694-M725 HydrophobicContact CG-SD 4.02Å
695	S	87.4	Confident	88.1	Confident	61 Å²	61	34.3 Å²	34.3	43%	0.427	18%	0.177	S	C	.	.	H	α-helix	trans	-59.8	-34.6	176.1	-177.4	0	0	0	0	112.7	N691 A692 L693	N691-S695 WeakPolarHBondContact O-CB 3.25Å; N691-S695 PolarHBondContact O-N 2.93Å; A692-S695 PolarHBondContact O-N 2.89Å; L693-S695 VanDerWaalsContact C-N 3.33Å; L693-S695 PolarHBondContact O-N 3.44Å
696	I	91	Very high	89.4	Confident	32 Å²	32	33 Å²	33	16%	0.164	17%	0.168	C	C	.	.	H	α-helix	trans	-77	-48.7	176.8	-64.5	161.6	0	0	0	109.9	A692 L693 E694 H698 S699 P702 R703 P705 V728	A692-I696 WeakPolarHBondContact O-CD1 3.47Å; A692-I696 WeakPolarHBondContact O-CG1 3.44Å; A692-I696 PolarHBondContact O-N 2.88Å; L693-I696 PolarHBondContact O-N 3.43Å; E694-I696 PolarHBondContact O-N 3.34Å; I696-H698 PolarHBondContact O-N 2.69Å; I696-S699 WeakPolarHBondContact O-CB 3.43Å; I696-S699 PolarHBondContact O-N 2.95Å; I696-S699 PolarHBondContact O-OG 3.29Å; I696-P702 WeakPolarHBondContact O-CB 3.39Å; I696-R703 VanDerWaalsContact CG2-O 3.27Å; I696-R703 WeakPolarHBondContact CG2-O 3.32Å; I696-P705 HydrophobicContact CD1-CG 3.63Å; I696-V728 HydrophobicContact CB-CG1 4.13Å; I696-V728 HydrophobicContact CB-CG2 4.14Å; I696-V728 HydrophobicContact CD1-CG1 3.84Å; I696-V728 HydrophobicContact CG2-CB 4.49Å; I696-V728 HydrophobicContact CG2-CG1 3.84Å; I696-V728 HydrophobicContact CG2-CG2 3.79Å
697	A	89.2	Confident	90.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.4	-40	-176.6	0	0	0	0	0	113	L693 E694 P702 P717 V724 V728	L693-A697 WeakPolarHBondContact O-CB 3.5Å; L693-A697 PolarHBondContact O-N 3.3Å; E694-A697 PolarHBondContact O-N 3.24Å; A697-P702 VanDerWaalsContact O-CG 3.23Å; A697-P702 WeakPolarHBondContact O-CG 3.32Å; A697-P717 WeakPolarHBondContact O-CG 3.42Å; A697-V724 HydrophobicContact CB-CG2 3.89Å; A697-V728 HydrophobicContact CB-CG2 4.13Å
698	H	88.6	Confident	90.9	Very high	101 Å²	101	36.8 Å²	36.8	47%	0.468	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	1.5	-179.6	-64.6	-67.2	0	0	0	114	E694 I696	E694-H698 WeakPolarHBondContact O-CB 3.32Å; E694-H698 PolarHBondContact O-CD2 2.97Å; E694-H698 PolarHBondContact O-N 3.5Å; I696-H698 PolarHBondContact O-N 2.69Å
699	S	91	Very high	91.6	Very high	41 Å²	41	34.6 Å²	34.6	29%	0.287	17%	0.173	S	C	.	.	S	Bend	trans	-63.8	153	173.9	71.4	0	0	0	0	110.8	I696 Q701 P702 P717	I696-S699 WeakPolarHBondContact O-CB 3.43Å; I696-S699 PolarHBondContact O-N 2.95Å; I696-S699 PolarHBondContact O-OG 3.29Å; S699-Q701 PolarHBondContact O-N 2.99Å; S699-Q701 VanDerWaalsContact O-N 3.08Å; S699-P702 WeakPolarHBondContact O-CD 3.47Å; S699-P702 WeakPolarHBondContact O-CG 3.29Å; S699-P702 VanDerWaalsContact OG-CA 3.29Å; S699-P702 WeakPolarHBondContact OG-CA 3.45Å; S699-P717 WeakPolarHBondContact O-CG 3.21Å
700	K	90.1	Very high	92	Very high	184 Å²	184	35.2 Å²	35.2	80%	0.8	18%	0.175	S	C	*	.	S	Bend	trans	-55.3	-32.6	-178.4	-174.7	178.1	-179.7	178.8	0	113.1
701	Q	92.6	Very high	92.5	Very high	84 Å²	84	35.2 Å²	35.2	39%	0.393	18%	0.175	S	C	.	.	S	Bend	trans	-136.2	82.3	178.6	-60.7	-169.6	-10.8	0	0	108.9	S699 R703 R710	S699-Q701 PolarHBondContact O-N 2.99Å; S699-Q701 VanDerWaalsContact O-N 3.08Å; Q701-R703 PolarHBondContact O-N 2.64Å; Q701-R710 VanDerWaalsContact CD-NH1 3.32Å; Q701-R710 VanDerWaalsContact CD-NH2 3.35Å
702	P	94.8	Very high	92.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.172	C	C	.	.			trans	-57.7	127.1	-176.3	-25.5	36.4	0	0	0	111.5	I696 A697 S699 R710 I711 P717 W727	I696-P702 WeakPolarHBondContact O-CB 3.39Å; A697-P702 VanDerWaalsContact O-CG 3.23Å; A697-P702 WeakPolarHBondContact O-CG 3.32Å; S699-P702 WeakPolarHBondContact O-CD 3.47Å; S699-P702 WeakPolarHBondContact O-CG 3.29Å; S699-P702 VanDerWaalsContact OG-CA 3.29Å; S699-P702 WeakPolarHBondContact OG-CA 3.45Å; P702-R710 WeakPolarHBondContact O-CA 3.49Å; P702-R710 WeakPolarHBondContact O-CG 3.26Å; P702-I711 HydrophobicContact CB-CB 4.34Å; P702-I711 HydrophobicContact CB-CG2 3.91Å; P702-I711 HydrophobicContact CG-CG2 4Å; P702-I711 PolarHBondContact O-N 2.78Å; P702-P717 HydrophobicContact CG-CG 4.01Å; P702-W727 HydrophobicContact CB-CZ3 3.97Å
703	R	96.6	Very high	93.2	Very high	52 Å²	52	37.1 Å²	37.1	20%	0.196	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-133.3	146.3	-178.8	-74.4	179.3	-175.8	-92.2	5.7	111	E304 R305 I696 Q701 Q708 C709 R710	E304-R703 PolarHBondContact O-NH2 3.26Å; R305-R703 PolarHBondContact O-NH1 3.35Å; I696-R703 VanDerWaalsContact CG2-O 3.27Å; I696-R703 WeakPolarHBondContact CG2-O 3.32Å; Q701-R703 PolarHBondContact O-N 2.64Å; R703-Q708 PolarHBondContact NH1-O 3.31Å; R703-C709 CarbonylContact C-O 3.49Å; R703-C709 VanDerWaalsContact CA-O 3.23Å; R703-C709 WeakPolarHBondContact CA-O 3.42Å; R703-R710 HydrophobicContact CG-CB 3.94Å; R703-R710 HydrophobicContact CG-CG 4.12Å
704	T	97.1	Very high	93.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.18	C	C	.	.			trans	-66	139.3	170.8	59.1	0	0	0	0	110.2	V706 Q708 C709 W727 D735	T704-V706 VanDerWaalsContact C-N 3.31Å; T704-V706 PolarHBondContact O-N 2.88Å; T704-Q708 WeakPolarHBondContact O-CA 3.25Å; T704-Q708 PolarHBondContact O-N 3.09Å; T704-Q708 PolarHBondContact O-NE2 3.28Å; T704-Q708 PolarHBondContact OG1-N 3.13Å; T704-C709 HydrophobicContact CG2-CB 4.17Å; T704-C709 PolarHBondContact N-O 3.43Å; T704-C709 WeakPolarHBondContact OG1-CB 3.26Å; T704-C709 PolarHBondContact OG1-N 3.07Å; T704-W727 HydrophobicContact CG2-CH2 4.15Å; T704-W727 HydrophobicContact CG2-CZ2 4.4Å; T704-D735 WeakPolarHBondContact CB-OD2 3.17Å; T704-D735 PolarHBondContact OG1-OD2 2.78Å
705	P	94.5	Very high	93.3	Very high	25 Å²	25	36.3 Å²	36.3	16%	0.162	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-26.4	-173.2	-28.8	39.8	0	0	0	115.4	F541 I696 Q708 L796	F541-P705 HydrophobicContact CD1-CG 4.27Å; F541-P705 HydrophobicContact CE1-CB 4.17Å; F541-P705 HydrophobicContact CE1-CG 3.56Å; F541-P705 HydrophobicContact CZ-CG 3.99Å; I696-P705 HydrophobicContact CD1-CG 3.63Å; P705-Q708 PolarHBondContact O-NE2 3.16Å; P705-L796 HydrophobicContact CB-CD2 3.54Å; P705-L796 HydrophobicContact CB-CG 4.47Å; P705-L796 HydrophobicContact CG-CD2 4.21Å
706	V	96.5	Very high	93.5	Very high	10 Å²	10	34 Å²	34	6%	0.061	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-61.8	-172.5	-177	0	0	0	0	112	T704 F791 F792	T704-V706 VanDerWaalsContact C-N 3.31Å; T704-V706 PolarHBondContact O-N 2.88Å; V706-F791 HydrophobicContact CG1-CD1 3.79Å; V706-F791 HydrophobicContact CG1-CE1 3.34Å; V706-F791 HydrophobicContact CG1-CZ 3.77Å; V706-F792 HydrophobicContact CB-CD2 4.48Å; V706-F792 HydrophobicContact CB-CE1 4.41Å; V706-F792 HydrophobicContact CB-CE2 4.26Å; V706-F792 HydrophobicContact CB-CZ 4.2Å; V706-F792 HydrophobicContact CG1-CD2 3.95Å; V706-F792 HydrophobicContact CG1-CE2 3.86Å; V706-F792 HydrophobicContact CG1-CG 4.47Å; V706-F792 HydrophobicContact CG1-CZ 4.3Å; V706-F792 HydrophobicContact CG2-CB 4.4Å; V706-F792 HydrophobicContact CG2-CD1 3.64Å; V706-F792 HydrophobicContact CG2-CD2 4.09Å; V706-F792 HydrophobicContact CG2-CE1 3.76Å; V706-F792 HydrophobicContact CG2-CE2 4.2Å; V706-F792 HydrophobicContact CG2-CG 3.8Å; V706-F792 HydrophobicContact CG2-CZ 4.03Å
707	L	97.5	Very high	93.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	1.1	-178.6	-57.3	-175.5	0	0	0	113.8	H308 V310 T311 C709 D735 H738 V739 F791	H308-L707 HydrophobicContact CB-CB 4.06Å; H308-L707 HydrophobicContact CB-CD2 4.16Å; H308-L707 WeakPolarHBondContact CB-O 3.32Å; V310-L707 HydrophobicContact CB-CD1 4.18Å; V310-L707 HydrophobicContact CB-CD2 4.09Å; V310-L707 HydrophobicContact CG1-CD1 3.76Å; V310-L707 HydrophobicContact CG1-CD2 4.21Å; T311-L707 WeakPolarHBondContact OG1-CD1 3.19Å; L707-C709 PolarHBondContact O-N 3.28Å; L707-D735 HydrophobicContact CB-CB 4.31Å; L707-D735 WeakPolarHBondContact CB-OD2 3.39Å; L707-D735 HydrophobicContact CD1-CB 3.6Å; L707-D735 HydrophobicContact CG-CB 3.77Å; L707-H738 HydrophobicContact CD1-CB 4.4Å; L707-V739 HydrophobicContact CD1-CG2 4.28Å; L707-V739 HydrophobicContact CD2-CG2 4.13Å; L707-F791 HydrophobicContact CD2-CE1 3.87Å; L707-F791 HydrophobicContact CD2-CZ 4.22Å
708	Q	97.4	Very high	93.2	Very high	86 Å²	86	38.4 Å²	38.4	40%	0.402	19%	0.191	S	C	.	.			trans	60.9	28.2	177.2	-60.4	-65.1	-44	0	0	114	P307 R703 T704 P705 R710	P307-Q708 HydrophobicContact CG-CB 4Å; R703-Q708 PolarHBondContact NH1-O 3.31Å; T704-Q708 WeakPolarHBondContact O-CA 3.25Å; T704-Q708 PolarHBondContact O-N 3.09Å; T704-Q708 PolarHBondContact O-NE2 3.28Å; T704-Q708 PolarHBondContact OG1-N 3.13Å; P705-Q708 PolarHBondContact O-NE2 3.16Å; Q708-R710 PolarHBondContact O-N 3.33Å
709	C	97.8	Very high	92.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-69.5	124.8	177.7	-64.4	0	0	0	0	110.2	R305 F306 T311 R489 R703 T704 L707 W727 D735	R305-C709 WeakPolarHBondContact O-CA 3.37Å; F306-C709 HydrophobicContact CD1-CB 3.73Å; F306-C709 HydrophobicContact CE1-CB 4.1Å; T311-C709 PolarHBondContact OG1-SG 2.87Å; R489-C709 VanDerWaalsContact CZ-CB 3.43Å; R489-C709 VanDerWaalsContact CZ-SG 3.57Å; R489-C709 PolarHBondContact NH1-SG 3.03Å; R489-C709 VanDerWaalsContact NH2-CB 3.33Å; R703-C709 CarbonylContact C-O 3.49Å; R703-C709 VanDerWaalsContact CA-O 3.23Å; R703-C709 WeakPolarHBondContact CA-O 3.42Å; T704-C709 HydrophobicContact CG2-CB 4.17Å; T704-C709 PolarHBondContact N-O 3.43Å; T704-C709 WeakPolarHBondContact OG1-CB 3.26Å; T704-C709 PolarHBondContact OG1-N 3.07Å; L707-C709 PolarHBondContact O-N 3.28Å; C709-W727 VanDerWaalsContact O-CH2 3.32Å; C709-W727 WeakPolarHBondContact O-CH2 3.42Å; C709-D735 PolarHBondContact SG-OD1 2.82Å
710	R	96.8	Very high	92.5	Very high	14 Å²	14	33.1 Å²	33.1	5%	0.053	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-88.1	146.3	-177.3	-165.4	175	166.5	-176.6	-2.7	112.3	E304 R305 Q701 P702 R703 Q708 E716	E304-R710 IonicContact OE1-NH1 2.72Å; E304-R710 PolarHBondContact OE1-NH1 3.29Å; R305-R710 HydrophobicContact CB-CB 4.15Å; R305-R710 HydrophobicContact CG-CB 4.25Å; R305-R710 VanDerWaalsContact NH1-CD 3.34Å; R305-R710 VanDerWaalsContact NH2-CZ 3.3Å; R305-R710 PolarHBondContact O-N 3.27Å; Q701-R710 VanDerWaalsContact CD-NH1 3.32Å; Q701-R710 VanDerWaalsContact CD-NH2 3.35Å; P702-R710 WeakPolarHBondContact O-CA 3.49Å; P702-R710 WeakPolarHBondContact O-CG 3.26Å; R703-R710 HydrophobicContact CG-CB 3.94Å; R703-R710 HydrophobicContact CG-CG 4.12Å; Q708-R710 PolarHBondContact O-N 3.33Å; R710-E716 IonicContact CZ-OE1 3.28Å; R710-E716 IonicContact NE-OE1 2.93Å; R710-E716 PolarHBondContact NE-OE1 3.31Å; R710-E716 IonicContact NH2-OE1 2.88Å; R710-E716 PolarHBondContact NH2-OE1 3.26Å; R710-E716 IonicContact NH2-OE2 3.41Å; R710-E716 PolarHBondContact NH2-OE2 2.82Å
711	I	95.2	Very high	91.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-61.6	158.8	176.1	-164.8	165.1	0	0	0	112.2	R305 P702 L715 E716 V724 W727	R305-I711 PolarHBondContact NH1-O 3.49Å; P702-I711 HydrophobicContact CB-CB 4.34Å; P702-I711 HydrophobicContact CB-CG2 3.91Å; P702-I711 HydrophobicContact CG-CG2 4Å; P702-I711 PolarHBondContact O-N 2.78Å; I711-L715 HydrophobicContact CD1-CB 3.71Å; I711-L715 HydrophobicContact CG1-CB 3.85Å; I711-E716 HydrophobicContact CG2-CG 3.81Å; I711-V724 HydrophobicContact CD1-CB 3.79Å; I711-V724 HydrophobicContact CD1-CG1 3.98Å; I711-V724 HydrophobicContact CD1-CG2 3.93Å; I711-W727 HydrophobicContact CB-CD2 3.95Å; I711-W727 HydrophobicContact CB-CE3 4.14Å; I711-W727 HydrophobicContact CB-CH2 3.82Å; I711-W727 HydrophobicContact CB-CZ2 3.62Å; I711-W727 HydrophobicContact CB-CZ3 4.07Å; I711-W727 HydrophobicContact CD1-CB 4.14Å; I711-W727 HydrophobicContact CD1-CD2 3.68Å; I711-W727 HydrophobicContact CD1-CE3 3.97Å; I711-W727 HydrophobicContact CD1-CG 3.72Å; I711-W727 HydrophobicContact CG1-CD2 3.73Å; I711-W727 HydrophobicContact CG1-CE3 4.26Å; I711-W727 HydrophobicContact CG1-CG 3.95Å; I711-W727 HydrophobicContact CG1-CZ2 4.17Å
712	S	94.1	Very high	90.4	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.007	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-56	142.5	171.8	172.1	0	0	0	0	111.3	V209 C210 G211 A714 L715 E716	V209-S712 WeakPolarHBondContact O-CA 3.45Å; C210-S712 VanDerWaalsContact C-OG 3.27Å; C210-S712 WeakPolarHBondContact CA-OG 3.38Å; G211-S712 PolarHBondContact N-OG 2.92Å; G211-S712 VanDerWaalsContact N-OG 3.1Å; G211-S712 PolarHBondContact O-OG 2.85Å; S712-A714 PolarHBondContact O-N 2.92Å; S712-A714 PolarHBondContact OG-N 3.35Å; S712-L715 PolarHBondContact O-N 3.34Å; S712-E716 PolarHBondContact O-N 3.41Å
713	R	92.7	Very high	89.3	Confident	60 Å²	60	38.1 Å²	38.1	23%	0.226	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-53.8	-36	177.8	-75.6	-177.9	-179.4	153.3	7	113.6	V209 K236 L715 E716	V209-R713 PolarHBondContact O-N 3.34Å; K236-R713 HydrophobicContact CB-CB 4.19Å; K236-R713 HydrophobicContact CD-CB 4.5Å; R713-L715 PolarHBondContact O-N 2.87Å; R713-E716 PolarHBondContact O-N 3.25Å
714	A	88.8	Confident	88.7	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-70.7	-12.8	-179	0	0	0	0	0	113.2	L212 Q216 F233 S712 V720	L212-A714 HydrophobicContact CD2-CB 4.35Å; Q216-A714 PolarHBondContact NE2-O 3.23Å; F233-A714 HydrophobicContact CB-CB 4.43Å; S712-A714 PolarHBondContact O-N 2.92Å; S712-A714 PolarHBondContact OG-N 3.35Å; A714-V720 WeakPolarHBondContact O-CG1 3.43Å
715	L	90.6	Very high	88.1	Confident	11 Å²	11	36.5 Å²	36.5	6%	0.058	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-118.8	8.6	-177	-67.5	172.8	0	0	0	112.6	A213 V487 I711 S712 R713 V720 V724	A213-L715 HydrophobicContact CB-CD1 4.36Å; A213-L715 HydrophobicContact CB-CD2 4.02Å; V487-L715 HydrophobicContact CB-CD1 3.67Å; V487-L715 HydrophobicContact CG1-CD1 3.91Å; V487-L715 HydrophobicContact CG2-CD1 3.7Å; I711-L715 HydrophobicContact CD1-CB 3.71Å; I711-L715 HydrophobicContact CG1-CB 3.85Å; S712-L715 PolarHBondContact O-N 3.34Å; R713-L715 PolarHBondContact O-N 2.87Å; L715-V720 HydrophobicContact CD2-CG1 4.32Å; L715-V724 HydrophobicContact CB-CG1 4.37Å
716	E	91.1	Very high	87.8	Confident	14 Å²	14	37.6 Å²	37.6	7%	0.065	20%	0.2	C	C	.	.	S	Bend	trans	-66.5	148.5	171	-69.3	-178.1	169.9	0	0	109.9	R305 R710 I711 S712 R713 S718 S719 V720	R305-E716 IonicContact CZ-OE1 3.44Å; R305-E716 VanDerWaalsContact CZ-OE1 3.29Å; R305-E716 IonicContact NH1-OE1 2.59Å; R305-E716 PolarHBondContact NH1-OE1 2.94Å; R305-E716 IonicContact NH2-OE1 2.77Å; R305-E716 PolarHBondContact NH2-OE1 3.05Å; R710-E716 IonicContact CZ-OE1 3.28Å; R710-E716 IonicContact NE-OE1 2.93Å; R710-E716 PolarHBondContact NE-OE1 3.31Å; R710-E716 IonicContact NH2-OE1 2.88Å; R710-E716 PolarHBondContact NH2-OE1 3.26Å; R710-E716 IonicContact NH2-OE2 3.41Å; R710-E716 PolarHBondContact NH2-OE2 2.82Å; I711-E716 HydrophobicContact CG2-CG 3.81Å; S712-E716 PolarHBondContact O-N 3.41Å; R713-E716 PolarHBondContact O-N 3.25Å; E716-S718 PolarHBondContact O-N 3.36Å; E716-S719 WeakPolarHBondContact O-CA 3.49Å; E716-S719 WeakPolarHBondContact O-CB 3.47Å; E716-S719 PolarHBondContact O-N 3.3Å; E716-V720 PolarHBondContact O-N 2.77Å
717	P	87.5	Confident	87.6	Confident	48 Å²	48	37.6 Å²	37.6	31%	0.312	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-16.9	-180	-29.4	37.4	0	0	0	114.9	A697 S699 P702 S719	A697-P717 WeakPolarHBondContact O-CG 3.42Å; S699-P717 WeakPolarHBondContact O-CG 3.21Å; P702-P717 HydrophobicContact CG-CG 4.01Å; P717-S719 PolarHBondContact O-N 2.95Å
718	S	85.3	Confident	87.4	Confident	76 Å²	76	37.6 Å²	37.6	53%	0.531	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-8.4	172.1	67	0	0	0	0	114.6	K236 E716	K236-S718 PolarHBondContact NZ-OG 3.44Å; E716-S718 PolarHBondContact O-N 3.36Å
719	S	83.3	Confident	87.2	Confident	11 Å²	11	33.5 Å²	33.5	8%	0.077	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.5	-19.7	-171.3	-79	0	0	0	0	114	K236 E716 P717	K236-S719 WeakPolarHBondContact CD-OG 3.38Å; K236-S719 VanDerWaalsContact CE-OG 3.3Å; K236-S719 WeakPolarHBondContact CE-OG 3.49Å; K236-S719 PolarHBondContact NZ-OG 3.31Å; E716-S719 WeakPolarHBondContact O-CA 3.49Å; E716-S719 WeakPolarHBondContact O-CB 3.47Å; E716-S719 PolarHBondContact O-N 3.3Å; P717-S719 PolarHBondContact O-N 2.95Å
720	V	81.6	Confident	87	Confident	19 Å²	19	35 Å²	35	12%	0.115	19%	0.186	C	C	.	.			trans	-136.4	143.4	178.1	-68.7	0	0	0	0	110.3	A714 L715 E716 E722 V724	A714-V720 WeakPolarHBondContact O-CG1 3.43Å; L715-V720 HydrophobicContact CD2-CG1 4.32Å; E716-V720 PolarHBondContact O-N 2.77Å; V720-E722 VanDerWaalsContact C-N 3.34Å; V720-V724 HydrophobicContact CG2-CG1 4.33Å
721	D	69.8	Low	86.9	Confident	177 Å²	177	34.3 Å²	34.3	95%	0.947	18%	0.183	S	C	*	.			trans	-90.1	-3.1	170.5	-63.4	-39.2	0	0	0	112.1
722	E	69.2	Low	87	Confident	122 Å²	122	34.3 Å²	34.3	57%	0.57	18%	0.183	S	C	*	.	S	Bend	trans	-80.5	151.5	-177.1	-70.2	-173.8	169.7	0	0	113.5	V720 V724	V720-E722 VanDerWaalsContact C-N 3.34Å; E722-V724 PolarHBondContact O-N 2.61Å
723	D	71.8	Confident	87	Confident	74 Å²	74	34.5 Å²	34.5	40%	0.396	19%	0.185	S	C	.	.			trans	-75	111.3	177.6	-173.7	3.1	0	0	0	111.4	M725	D723-M725 VanDerWaalsContact C-N 3.31Å; D723-M725 PolarHBondContact O-N 2.75Å; D723-M725 WeakPolarHBondContact OD1-CB 3.1Å; D723-M725 PolarHBondContact OD1-N 3Å
724	V	84.6	Confident	87.2	Confident	18 Å²	18	32.1 Å²	32.1	11%	0.109	18%	0.177	C	C	.	.			trans	-90.9	16.5	177.7	-62.2	0	0	0	0	113.1	A697 I711 L715 V720 E722 N726 W727	A697-V724 HydrophobicContact CB-CG2 3.89Å; I711-V724 HydrophobicContact CD1-CB 3.79Å; I711-V724 HydrophobicContact CD1-CG1 3.98Å; I711-V724 HydrophobicContact CD1-CG2 3.93Å; L715-V724 HydrophobicContact CB-CG1 4.37Å; V720-V724 HydrophobicContact CG2-CG1 4.33Å; E722-V724 PolarHBondContact O-N 2.61Å; V724-N726 VanDerWaalsContact C-N 3.26Å; V724-N726 PolarHBondContact O-N 2.79Å; V724-W727 VanDerWaalsContact O-CB 3.24Å; V724-W727 WeakPolarHBondContact O-CB 3.2Å; V724-W727 PolarHBondContact O-N 3.42Å
725	M	84.8	Confident	87.6	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-55.4	-37.5	-177.2	-164.3	174.4	60.9	0	0	114	M593 G595 F690 L693 E694 D723 W727 V728	M593-M725 WeakPolarHBondContact O-CE 3.45Å; G595-M725 VanDerWaalsContact N-CE 3.31Å; F690-M725 HydrophobicContact CD1-CE 3.65Å; F690-M725 HydrophobicContact CD1-SD 3.83Å; F690-M725 HydrophobicContact CE1-CE 3.72Å; F690-M725 HydrophobicContact CE1-SD 4.44Å; L693-M725 HydrophobicContact CB-CG 3.42Å; L693-M725 VanDerWaalsContact CB-CG 3.42Å; L693-M725 HydrophobicContact CB-SD 3.51Å; L693-M725 VanDerWaalsContact CB-SD 3.51Å; L693-M725 HydrophobicContact CD1-CG 4.04Å; L693-M725 HydrophobicContact CD1-SD 3.93Å; L693-M725 HydrophobicContact CG-CG 4.25Å; L693-M725 HydrophobicContact CG-SD 4.38Å; E694-M725 HydrophobicContact CG-SD 4.02Å; D723-M725 VanDerWaalsContact C-N 3.31Å; D723-M725 PolarHBondContact O-N 2.75Å; D723-M725 WeakPolarHBondContact OD1-CB 3.1Å; D723-M725 PolarHBondContact OD1-N 3Å; M725-W727 PolarHBondContact O-N 2.76Å; M725-V728 WeakPolarHBondContact O-CB 3.21Å; M725-V728 PolarHBondContact O-N 3.37Å; M725-V728 VanDerWaalsContact O-N 3.12Å
726	N	86.8	Confident	87.9	Confident	48 Å²	48	31.6 Å²	31.6	26%	0.257	18%	0.175	S	C	.	.	H	α-helix	trans	-55.4	-38.7	175.2	-176.4	31.6	0	0	0	112.4	Y594 V724 V728 V729 Q730	Y594-N726 VanDerWaalsContact CB-OD1 3.25Å; Y594-N726 WeakPolarHBondContact CB-OD1 3.22Å; Y594-N726 WeakPolarHBondContact CD1-OD1 3.24Å; Y594-N726 WeakPolarHBondContact O-CB 3.4Å; V724-N726 VanDerWaalsContact C-N 3.26Å; V724-N726 PolarHBondContact O-N 2.79Å; N726-V728 VanDerWaalsContact C-N 3.25Å; N726-V728 PolarHBondContact O-N 2.99Å; N726-V729 PolarHBondContact O-N 3.48Å; N726-Q730 PolarHBondContact ND2-NE2 2.88Å; N726-Q730 WeakPolarHBondContact O-CG 3.08Å; N726-Q730 PolarHBondContact O-N 2.9Å; N726-Q730 VanDerWaalsContact O-N 3.09Å; N726-Q730 VanDerWaalsContact OD1-CD 3.25Å; N726-Q730 WeakPolarHBondContact OD1-CG 3.1Å; N726-Q730 PolarHBondContact OD1-NE2 3.06Å
727	W	92.9	Very high	88.2	Confident	10 Å²	10	31.9 Å²	31.9	4%	0.038	18%	0.176	C	C	.	.	H	α-helix	trans	-61.2	-36.2	-179.4	173	92.3	0	0	0	111.6	V487 T488 P702 T704 C709 I711 V724 M725 V729 Q730 S731	V487-W727 VanDerWaalsContact O-CD1 3.31Å; V487-W727 PolarHBondContact O-NE1 3.3Å; V487-W727 VanDerWaalsContact O-NE1 3.17Å; T488-W727 HydrophobicContact CG2-CB 4.45Å; P702-W727 HydrophobicContact CB-CZ3 3.97Å; T704-W727 HydrophobicContact CG2-CH2 4.15Å; T704-W727 HydrophobicContact CG2-CZ2 4.4Å; C709-W727 VanDerWaalsContact O-CH2 3.32Å; C709-W727 WeakPolarHBondContact O-CH2 3.42Å; I711-W727 HydrophobicContact CB-CD2 3.95Å; I711-W727 HydrophobicContact CB-CE3 4.14Å; I711-W727 HydrophobicContact CB-CH2 3.82Å; I711-W727 HydrophobicContact CB-CZ2 3.62Å; I711-W727 HydrophobicContact CB-CZ3 4.07Å; I711-W727 HydrophobicContact CD1-CB 4.14Å; I711-W727 HydrophobicContact CD1-CD2 3.68Å; I711-W727 HydrophobicContact CD1-CE3 3.97Å; I711-W727 HydrophobicContact CD1-CG 3.72Å; I711-W727 HydrophobicContact CG1-CD2 3.73Å; I711-W727 HydrophobicContact CG1-CE3 4.26Å; I711-W727 HydrophobicContact CG1-CG 3.95Å; I711-W727 HydrophobicContact CG1-CZ2 4.17Å; V724-W727 VanDerWaalsContact O-CB 3.24Å; V724-W727 WeakPolarHBondContact O-CB 3.2Å; V724-W727 PolarHBondContact O-N 3.42Å; M725-W727 PolarHBondContact O-N 2.76Å; W727-V729 PolarHBondContact O-N 2.94Å; W727-Q730 PolarHBondContact O-N 3.24Å; W727-S731 WeakPolarHBondContact O-CB 3Å; W727-S731 PolarHBondContact O-N 3.25Å
728	V	93.7	Very high	88.7	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.5	-46.9	-177.9	-178.4	0	0	0	0	111.1	F541 L693 I696 A697 M725 N726 S732	F541-V728 HydrophobicContact CE2-CG1 3.94Å; F541-V728 HydrophobicContact CZ-CG1 4.38Å; L693-V728 HydrophobicContact CD2-CB 4Å; L693-V728 HydrophobicContact CD2-CG1 3.75Å; I696-V728 HydrophobicContact CB-CG1 4.13Å; I696-V728 HydrophobicContact CB-CG2 4.14Å; I696-V728 HydrophobicContact CD1-CG1 3.84Å; I696-V728 HydrophobicContact CG2-CB 4.49Å; I696-V728 HydrophobicContact CG2-CG1 3.84Å; I696-V728 HydrophobicContact CG2-CG2 3.79Å; A697-V728 HydrophobicContact CB-CG2 4.13Å; M725-V728 WeakPolarHBondContact O-CB 3.21Å; M725-V728 PolarHBondContact O-N 3.37Å; M725-V728 VanDerWaalsContact O-N 3.12Å; N726-V728 VanDerWaalsContact C-N 3.25Å; N726-V728 PolarHBondContact O-N 2.99Å; V728-S732 VanDerWaalsContact O-CB 3.24Å; V728-S732 WeakPolarHBondContact O-CB 3.14Å; V728-S732 PolarHBondContact O-N 3.11Å; V728-S732 PolarHBondContact O-OG 3.26Å
729	V	93.1	Very high	89.3	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-73.2	-51	179.7	-176.1	0	0	0	0	110.8	E534 I537 A538 F541 Y594 L693 N726 W727 S731 S732 A733	E534-V729 HydrophobicContact CB-CG1 3.82Å; E534-V729 WeakPolarHBondContact O-CG1 3.12Å; I537-V729 HydrophobicContact CG2-CG1 4.48Å; A538-V729 HydrophobicContact CB-CG2 4.17Å; F541-V729 HydrophobicContact CE2-CG2 4.48Å; Y594-V729 HydrophobicContact CD1-CB 4.39Å; Y594-V729 HydrophobicContact CE1-CB 4Å; Y594-V729 HydrophobicContact CE1-CG1 3.86Å; L693-V729 HydrophobicContact CD1-CG2 4.23Å; L693-V729 HydrophobicContact CD2-CG2 3.6Å; N726-V729 PolarHBondContact O-N 3.48Å; W727-V729 PolarHBondContact O-N 2.94Å; V729-S731 VanDerWaalsContact C-N 3.33Å; V729-S731 PolarHBondContact O-N 3.01Å; V729-S732 CarbonylContact O-C 3.53Å; V729-S732 PolarHBondContact O-N 3.23Å; V729-S732 VanDerWaalsContact O-N 3.14Å; V729-A733 PolarHBondContact O-N 2.97Å
730	Q	92.9	Very high	89.9	Confident	30 Å²	30	25.5 Å²	25.5	14%	0.14	13%	0.133	C	C	.	.	H	α-helix	trans	-63.1	-39.7	-175.4	-68.3	-169.2	-0.3	0	0	112.6	T488 N726 W727 A733 V734	T488-Q730 HydrophobicContact CG2-CB 3.95Å; T488-Q730 PolarHBondContact OG1-OE1 3.15Å; N726-Q730 PolarHBondContact ND2-NE2 2.88Å; N726-Q730 WeakPolarHBondContact O-CG 3.08Å; N726-Q730 PolarHBondContact O-N 2.9Å; N726-Q730 VanDerWaalsContact O-N 3.09Å; N726-Q730 VanDerWaalsContact OD1-CD 3.25Å; N726-Q730 WeakPolarHBondContact OD1-CG 3.1Å; N726-Q730 PolarHBondContact OD1-NE2 3.06Å; W727-Q730 PolarHBondContact O-N 3.24Å; Q730-A733 WeakPolarHBondContact O-CB 3.28Å; Q730-A733 PolarHBondContact O-N 2.95Å; Q730-V734 PolarHBondContact O-N 3Å
731	S	95.5	Very high	90.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-73.5	-31.9	178.3	-145.4	0	0	0	0	111.5	T488 R489 W727 V729 A733 V734 D735	T488-S731 WeakPolarHBondContact O-CA 3.37Å; T488-S731 WeakPolarHBondContact O-CB 3.38Å; T488-S731 PolarHBondContact O-OG 3.16Å; R489-S731 VanDerWaalsContact CZ-OG 3.23Å; R489-S731 PolarHBondContact NE-OG 2.87Å; R489-S731 PolarHBondContact NH2-O 3.34Å; R489-S731 PolarHBondContact NH2-OG 3.02Å; W727-S731 WeakPolarHBondContact O-CB 3Å; W727-S731 PolarHBondContact O-N 3.25Å; V729-S731 VanDerWaalsContact C-N 3.33Å; V729-S731 PolarHBondContact O-N 3.01Å; S731-A733 VanDerWaalsContact C-N 3.3Å; S731-A733 PolarHBondContact O-N 3.27Å; S731-V734 WeakPolarHBondContact O-CB 3.45Å; S731-V734 PolarHBondContact O-N 3.2Å; S731-D735 PolarHBondContact O-N 3.24Å
732	S	96.5	Very high	91.9	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-68.8	-28.7	170.9	-59.5	0	0	0	0	112.4	V728 V729 V734 D735 Y736 F792	V728-S732 VanDerWaalsContact O-CB 3.24Å; V728-S732 WeakPolarHBondContact O-CB 3.14Å; V728-S732 PolarHBondContact O-N 3.11Å; V728-S732 PolarHBondContact O-OG 3.26Å; V729-S732 CarbonylContact O-C 3.53Å; V729-S732 PolarHBondContact O-N 3.23Å; V729-S732 VanDerWaalsContact O-N 3.14Å; S732-V734 VanDerWaalsContact C-N 3.34Å; S732-D735 WeakPolarHBondContact O-CB 3.4Å; S732-D735 PolarHBondContact O-N 3.1Å; S732-Y736 PolarHBondContact O-N 3.25Å; S732-F792 WeakPolarHBondContact O-CZ 3.06Å
733	A	95.3	Very high	93.2	Very high	6 Å²	6	10.5 Å²	10.5	5%	0.05	6%	0.056	C	C	.	.	H	α-helix	trans	-67.4	-35.2	170.8	0	0	0	0	0	112	E534 I537 V729 Q730 S731 Y736 L737	E534-A733 HydrophobicContact CG-CB 4.04Å; I537-A733 HydrophobicContact CD1-CB 4.18Å; V729-A733 PolarHBondContact O-N 2.97Å; Q730-A733 WeakPolarHBondContact O-CB 3.28Å; Q730-A733 PolarHBondContact O-N 2.95Å; S731-A733 VanDerWaalsContact C-N 3.3Å; S731-A733 PolarHBondContact O-N 3.27Å; A733-Y736 VanDerWaalsContact O-CB 3.28Å; A733-Y736 WeakPolarHBondContact O-CB 3.35Å; A733-Y736 PolarHBondContact O-N 2.89Å; A733-L737 PolarHBondContact O-N 3.1Å
734	V	96.1	Very high	94.4	Very high	9 Å²	9	7 Å²	7	6%	0.055	4%	0.037	C	C	.	.	H	α-helix	trans	-65.6	-39.7	171.3	177.8	0	0	0	0	111.2	R489 R490 Q730 S731 S732 Y736 L737 H738	R489-V734 HydrophobicContact CB-CG1 4.08Å; R489-V734 HydrophobicContact CB-CG2 4.47Å; R489-V734 WeakPolarHBondContact O-CG1 3.29Å; R490-V734 HydrophobicContact CB-CG2 4.42Å; R490-V734 HydrophobicContact CG-CG2 3.73Å; Q730-V734 PolarHBondContact O-N 3Å; S731-V734 WeakPolarHBondContact O-CB 3.45Å; S731-V734 PolarHBondContact O-N 3.2Å; S732-V734 VanDerWaalsContact C-N 3.34Å; V734-Y736 VanDerWaalsContact C-N 3.26Å; V734-Y736 PolarHBondContact O-N 2.93Å; V734-L737 PolarHBondContact O-N 3.16Å; V734-H738 PolarHBondContact O-N 3.46Å
735	D	97.8	Very high	94.9	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-58.5	-41.5	172.6	-72.4	-3.8	0	0	0	111.4	R489 T704 L707 C709 S731 S732 L737 H738 V739 F792	R489-D735 IonicContact CZ-OD1 2.64Å; R489-D735 VanDerWaalsContact CZ-OD1 3.28Å; R489-D735 IonicContact NH1-OD1 2.98Å; R489-D735 PolarHBondContact NH1-OD1 2.89Å; R489-D735 IonicContact NH2-OD1 2.75Å; R489-D735 PolarHBondContact NH2-OD1 3.05Å; R489-D735 IonicContact NH2-OD2 2.78Å; T704-D735 WeakPolarHBondContact CB-OD2 3.17Å; T704-D735 PolarHBondContact OG1-OD2 2.78Å; L707-D735 HydrophobicContact CB-CB 4.31Å; L707-D735 WeakPolarHBondContact CB-OD2 3.39Å; L707-D735 HydrophobicContact CD1-CB 3.6Å; L707-D735 HydrophobicContact CG-CB 3.77Å; C709-D735 PolarHBondContact SG-OD1 2.82Å; S731-D735 PolarHBondContact O-N 3.24Å; S732-D735 WeakPolarHBondContact O-CB 3.4Å; S732-D735 PolarHBondContact O-N 3.1Å; D735-L737 PolarHBondContact O-N 2.86Å; D735-H738 PolarHBondContact O-N 3.13Å; D735-V739 VanDerWaalsContact O-CG2 3.25Å; D735-V739 WeakPolarHBondContact O-CG2 3.37Å; D735-V739 PolarHBondContact O-N 3.3Å; D735-F792 HydrophobicContact CB-CZ 3.96Å
736	Y	97.2	Very high	95.4	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-59.8	-46.9	177.3	-166.2	-70.2	0	0	0	111.1	V530 Q533 W536 I537 S732 A733 V734 V739 M740 N785 T788 R789 F792	V530-Y736 HydrophobicContact CG1-CE1 4.12Å; V530-Y736 HydrophobicContact CG2-CE1 4.16Å; Q533-Y736 HydrophobicContact CG-CD1 4.48Å; Q533-Y736 HydrophobicContact CG-CD2 4.4Å; Q533-Y736 HydrophobicContact CG-CG 4.33Å; Q533-Y736 VanDerWaalsContact NE2-CG 3.33Å; W536-Y736 HydrophobicContact CE3-CE2 4.14Å; W536-Y736 HydrophobicContact CZ3-CD2 4.2Å; W536-Y736 AromaticContact CZ3-CE2 3.71Å; W536-Y736 HydrophobicContact CZ3-CE2 3.71Å; I537-Y736 HydrophobicContact CD1-CD2 4.26Å; S732-Y736 PolarHBondContact O-N 3.25Å; A733-Y736 VanDerWaalsContact O-CB 3.28Å; A733-Y736 WeakPolarHBondContact O-CB 3.35Å; A733-Y736 PolarHBondContact O-N 2.89Å; V734-Y736 VanDerWaalsContact C-N 3.26Å; V734-Y736 PolarHBondContact O-N 2.93Å; Y736-V739 PolarHBondContact O-N 3.17Å; Y736-M740 HydrophobicContact CD1-CG 3.93Å; Y736-M740 HydrophobicContact CD1-SD 3.67Å; Y736-M740 HydrophobicContact CE1-CG 3.89Å; Y736-M740 HydrophobicContact CE1-SD 3.44Å; Y736-M740 WeakPolarHBondContact CE1-SD 3.08Å; Y736-M740 WeakPolarHBondContact O-CG 3.31Å; Y736-M740 PolarHBondContact O-N 3.36Å; Y736-N785 PolarHBondContact OH-OD1 3.28Å; Y736-T788 HydrophobicContact CD1-CG2 3.56Å; Y736-T788 HydrophobicContact CD2-CG2 3.66Å; Y736-T788 HydrophobicContact CE1-CG2 3.63Å; Y736-T788 HydrophobicContact CE2-CG2 3.73Å; Y736-T788 HydrophobicContact CG-CG2 3.59Å; Y736-R789 HydrophobicContact CE2-CG 3.87Å; Y736-R789 WeakPolarHBondContact OH-CD 3.29Å; Y736-R789 WeakPolarHBondContact OH-CG 3.48Å; Y736-R789 PolarHBondContact OH-NE 3.45Å; Y736-F792 HydrophobicContact CD2-CD1 4.33Å; Y736-F792 HydrophobicContact CD2-CD2 4.24Å; Y736-F792 HydrophobicContact CD2-CE1 4.18Å; Y736-F792 HydrophobicContact CD2-CE2 4.09Å; Y736-F792 HydrophobicContact CD2-CG 4.37Å; Y736-F792 HydrophobicContact CD2-CZ 4.08Å; Y736-F792 HydrophobicContact CG-CE2 4.35Å; Y736-F792 HydrophobicContact CG-CZ 4.31Å
737	L	96	Very high	95.7	Very high	20 Å²	20	6.2 Å²	6.2	11%	0.105	3%	0.029	C	C	.	.	H	α-helix	trans	-59.4	-47.8	176.3	178	60.2	0	0	0	111.2	M318 A733 V734 D735 V739 M740 L741 V765	M318-L737 HydrophobicContact SD-CD2 3.94Å; A733-L737 PolarHBondContact O-N 3.1Å; V734-L737 PolarHBondContact O-N 3.16Å; D735-L737 PolarHBondContact O-N 2.86Å; L737-V739 VanDerWaalsContact C-N 3.33Å; L737-V739 PolarHBondContact O-N 3.36Å; L737-M740 WeakPolarHBondContact O-CB 3.11Å; L737-M740 PolarHBondContact O-N 3.26Å; L737-M740 VanDerWaalsContact O-N 3.08Å; L737-L741 HydrophobicContact CD1-CD1 4.47Å; L737-L741 HydrophobicContact CD1-CD2 4.27Å; L737-L741 HydrophobicContact CD1-CG 4.17Å; L737-L741 HydrophobicContact CG-CD1 4.28Å; L737-L741 HydrophobicContact CG-CG 4.37Å; L737-L741 WeakPolarHBondContact O-CG 3.45Å; L737-L741 PolarHBondContact O-N 3.5Å; L737-V765 HydrophobicContact CD1-CG2 3.59Å
738	H	97.7	Very high	95.8	Very high	1 Å²	1	6.6 Å²	6.6	1%	0.005	3%	0.033	C	C	.	.	H	α-helix	trans	-59.7	-42.5	178.9	-66.7	166	0	0	0	112.5	V310 L707 V734 D735 M740 L741 V742	V310-H738 HydrophobicContact CG1-CB 3.81Å; L707-H738 HydrophobicContact CD1-CB 4.4Å; V734-H738 PolarHBondContact O-N 3.46Å; D735-H738 PolarHBondContact O-N 3.13Å; H738-M740 VanDerWaalsContact C-N 3.3Å; H738-M740 PolarHBondContact O-N 2.99Å; H738-L741 PolarHBondContact O-N 2.92Å; H738-V742 WeakPolarHBondContact O-CG2 3.31Å; H738-V742 PolarHBondContact O-N 3.15Å
739	V	97.8	Very high	95.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-60.5	-42	175.1	176.8	0	0	0	0	110.6	F60 V310 L707 D735 Y736 L737 S743 T788 F791 F792	F60-V739 HydrophobicContact CD1-CG1 3.83Å; F60-V739 HydrophobicContact CD2-CG1 4.45Å; F60-V739 HydrophobicContact CE1-CG1 3.31Å; F60-V739 HydrophobicContact CE2-CG1 4.02Å; F60-V739 HydrophobicContact CG-CG1 4.38Å; F60-V739 HydrophobicContact CZ-CG1 3.4Å; F60-V739 VanDerWaalsContact CZ-CG1 3.4Å; V310-V739 HydrophobicContact CG1-CB 4.41Å; V310-V739 HydrophobicContact CG1-CG2 3.82Å; L707-V739 HydrophobicContact CD1-CG2 4.28Å; L707-V739 HydrophobicContact CD2-CG2 4.13Å; D735-V739 VanDerWaalsContact O-CG2 3.25Å; D735-V739 WeakPolarHBondContact O-CG2 3.37Å; D735-V739 PolarHBondContact O-N 3.3Å; Y736-V739 PolarHBondContact O-N 3.17Å; L737-V739 VanDerWaalsContact C-N 3.33Å; L737-V739 PolarHBondContact O-N 3.36Å; V739-S743 VanDerWaalsContact O-CB 3.23Å; V739-S743 WeakPolarHBondContact O-CB 3.34Å; V739-S743 PolarHBondContact O-N 3.25Å; V739-T788 HydrophobicContact CB-CG2 3.93Å; V739-T788 HydrophobicContact CG1-CG2 3.76Å; V739-T788 WeakPolarHBondContact CG1-OG1 3.19Å; V739-F791 HydrophobicContact CG1-CD1 4.01Å; V739-F791 HydrophobicContact CG2-CD1 3.92Å; V739-F791 HydrophobicContact CG2-CE1 3.85Å; V739-F792 HydrophobicContact CG2-CE2 4.3Å
740	M	96.8	Very high	95.5	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.005	7%	0.069	C	C	.	.	H	α-helix	trans	-62.5	-46.3	175.4	-72.1	-178.3	64.8	0	0	112.9	V530 Y736 L737 H738 V742 S743 M744 V765 L781 T784 T788 F808	V530-M740 HydrophobicContact CG2-CE 4.4Å; V530-M740 HydrophobicContact CG2-SD 3.99Å; Y736-M740 HydrophobicContact CD1-CG 3.93Å; Y736-M740 HydrophobicContact CD1-SD 3.67Å; Y736-M740 HydrophobicContact CE1-CG 3.89Å; Y736-M740 HydrophobicContact CE1-SD 3.44Å; Y736-M740 WeakPolarHBondContact CE1-SD 3.08Å; Y736-M740 WeakPolarHBondContact O-CG 3.31Å; Y736-M740 PolarHBondContact O-N 3.36Å; L737-M740 WeakPolarHBondContact O-CB 3.11Å; L737-M740 PolarHBondContact O-N 3.26Å; L737-M740 VanDerWaalsContact O-N 3.08Å; H738-M740 VanDerWaalsContact C-N 3.3Å; H738-M740 PolarHBondContact O-N 2.99Å; M740-V742 VanDerWaalsContact C-N 3.35Å; M740-V742 PolarHBondContact O-N 3.42Å; M740-S743 PolarHBondContact O-N 3.01Å; M740-M744 WeakPolarHBondContact O-CB 3.48Å; M740-M744 PolarHBondContact O-N 2.99Å; M740-V765 HydrophobicContact CE-CB 4.2Å; M740-V765 HydrophobicContact CE-CG2 3.85Å; M740-V765 HydrophobicContact SD-CG2 4.32Å; M740-L781 HydrophobicContact CE-CD1 4Å; M740-T784 HydrophobicContact CB-CG2 3.8Å; M740-T784 HydrophobicContact CG-CG2 3.94Å; M740-T784 WeakPolarHBondContact O-CG2 3.33Å; M740-T788 HydrophobicContact CG-CG2 4.24Å; M740-F808 HydrophobicContact CE-CE2 4.39Å; M740-F808 HydrophobicContact CE-CZ 3.65Å
741	L	96.8	Very high	95.2	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.01	7%	0.069	C	C	.	.	H	α-helix	trans	-61.7	-44.6	-179.4	-64.2	-179	0	0	0	111.2	G314 E317 M318 L737 H738 R745 F757 V765 Y767	G314-L741 WeakPolarHBondContact O-CD1 3.39Å; E317-L741 HydrophobicContact CB-CB 4.28Å; E317-L741 HydrophobicContact CB-CD1 4.24Å; M318-L741 HydrophobicContact CB-CD1 3.96Å; L737-L741 HydrophobicContact CD1-CD1 4.47Å; L737-L741 HydrophobicContact CD1-CD2 4.27Å; L737-L741 HydrophobicContact CD1-CG 4.17Å; L737-L741 HydrophobicContact CG-CD1 4.28Å; L737-L741 HydrophobicContact CG-CG 4.37Å; L737-L741 WeakPolarHBondContact O-CG 3.45Å; L737-L741 PolarHBondContact O-N 3.5Å; H738-L741 PolarHBondContact O-N 2.92Å; L741-R745 WeakPolarHBondContact O-CB 3.39Å; L741-R745 PolarHBondContact O-N 3.43Å; L741-F757 HydrophobicContact CD2-CD2 3.58Å; L741-F757 HydrophobicContact CD2-CE2 3.5Å; L741-F757 VanDerWaalsContact CD2-CE2 3.5Å; L741-F757 HydrophobicContact CD2-CG 4.38Å; L741-F757 HydrophobicContact CD2-CZ 4.23Å; L741-V765 HydrophobicContact CD2-CG1 4.38Å; L741-Y767 WeakPolarHBondContact CD2-OH 3.41Å
742	V	97.5	Very high	94.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-66.9	-44	178.6	174.1	0	0	0	0	111.6	I63 A64 V310 M313 H738 M740 R745 W746	I63-V742 HydrophobicContact CD1-CG1 3.89Å; I63-V742 HydrophobicContact CG1-CG1 3.74Å; A64-V742 HydrophobicContact CB-CG1 4.02Å; V310-V742 HydrophobicContact CG1-CG2 4.12Å; V310-V742 HydrophobicContact CG2-CG1 4.48Å; M313-V742 HydrophobicContact CB-CG2 3.77Å; M313-V742 HydrophobicContact CG-CG2 3.87Å; H738-V742 WeakPolarHBondContact O-CG2 3.31Å; H738-V742 PolarHBondContact O-N 3.15Å; M740-V742 VanDerWaalsContact C-N 3.35Å; M740-V742 PolarHBondContact O-N 3.42Å; V742-R745 PolarHBondContact O-N 3.26Å; V742-W746 PolarHBondContact O-N 3.09Å
743	S	96.3	Very high	94.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-60.1	-47.8	175.8	175.5	0	0	0	0	111.6	V739 M740 R745 W746 F747 T784	V739-S743 VanDerWaalsContact O-CB 3.23Å; V739-S743 WeakPolarHBondContact O-CB 3.34Å; V739-S743 PolarHBondContact O-N 3.25Å; M740-S743 PolarHBondContact O-N 3.01Å; S743-R745 VanDerWaalsContact C-N 3.33Å; S743-R745 PolarHBondContact O-N 3.07Å; S743-W746 WeakPolarHBondContact O-CB 3.44Å; S743-W746 PolarHBondContact O-N 2.97Å; S743-F747 VanDerWaalsContact O-CD2 3.27Å; S743-F747 WeakPolarHBondContact O-CD2 3.47Å; S743-F747 PolarHBondContact O-N 3.16Å; S743-T784 WeakPolarHBondContact OG-CA 3.21Å; S743-T784 WeakPolarHBondContact OG-CB 3.37Å; S743-T784 PolarHBondContact OG-OG1 3.26Å
744	M	96	Very high	94.7	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-64.3	-40.5	-179.9	-170.8	66	-173.3	0	0	111	M740 W746 F747 C748 Y767 A777 A780 L781	M740-M744 WeakPolarHBondContact O-CB 3.48Å; M740-M744 PolarHBondContact O-N 2.99Å; M744-W746 VanDerWaalsContact C-N 3.32Å; M744-W746 PolarHBondContact O-N 3.45Å; M744-F747 PolarHBondContact O-N 2.84Å; M744-C748 PolarHBondContact O-N 2.9Å; M744-C748 PolarHBondContact O-SG 3.4Å; M744-Y767 HydrophobicContact CB-CE1 4.32Å; M744-Y767 HydrophobicContact CB-CE2 4.33Å; M744-Y767 WeakPolarHBondContact CB-OH 3.34Å; M744-Y767 HydrophobicContact CG-CD1 4.34Å; M744-Y767 HydrophobicContact CG-CD2 4.4Å; M744-Y767 HydrophobicContact CG-CE1 3.77Å; M744-Y767 HydrophobicContact CG-CE2 3.81Å; M744-Y767 VanDerWaalsContact CG-CZ 3.47Å; M744-A777 HydrophobicContact CE-CB 4.04Å; M744-A780 HydrophobicContact CE-CB 4.05Å; M744-A780 HydrophobicContact SD-CB 3.92Å; M744-L781 HydrophobicContact SD-CB 4.25Å; M744-L781 HydrophobicContact SD-CD1 4.23Å
745	R	95.4	Very high	94.7	Very high	33 Å²	33	20.9 Å²	20.9	13%	0.125	12%	0.115	C	C	.	.	H	α-helix	trans	-57.6	-45.5	173.6	-177.4	175.2	-173.8	72.9	6.3	111.7	D194 E317 L741 V742 S743 C748 Q749	D194-R745 IonicContact OD2-CZ 3.99Å; D194-R745 IonicContact OD2-NH1 3.78Å; D194-R745 PolarHBondContact OD2-NH1 3.48Å; E317-R745 WeakPolarHBondContact OE1-CD 3.28Å; E317-R745 IonicContact OE1-CZ 3.58Å; E317-R745 IonicContact OE1-NE 3.65Å; E317-R745 PolarHBondContact OE1-NE 2.52Å; E317-R745 IonicContact OE1-NH1 2.87Å; E317-R745 PolarHBondContact OE1-NH1 3.24Å; E317-R745 IonicContact OE2-NH1 2.77Å; L741-R745 WeakPolarHBondContact O-CB 3.39Å; L741-R745 PolarHBondContact O-N 3.43Å; V742-R745 PolarHBondContact O-N 3.26Å; S743-R745 VanDerWaalsContact C-N 3.33Å; S743-R745 PolarHBondContact O-N 3.07Å; R745-C748 PolarHBondContact O-N 3.27Å; R745-Q749 WeakPolarHBondContact O-CG 3.43Å; R745-Q749 PolarHBondContact O-N 3.44Å
746	W	95.2	Very high	94.5	Very high	17 Å²	17	21.2 Å²	21.2	6%	0.064	12%	0.116	C	C	.	.	H	α-helix	trans	-61.1	-46.1	176.6	171.9	69.4	0	0	0	112	P49 H59 I63 V742 S743 M744 C748 Q749 F750 L787	P49-W746 HydrophobicContact CB-CH2 3.54Å; P49-W746 HydrophobicContact CB-CZ2 3.72Å; P49-W746 HydrophobicContact CG-CH2 3.54Å; P49-W746 HydrophobicContact CG-CZ2 4.05Å; P49-W746 HydrophobicContact CG-CZ3 4.06Å; H59-W746 AromaticContact CE1-CD2 4Å; H59-W746 AromaticContact CE1-CE2 3.82Å; H59-W746 AromaticContact CE1-CE3 3.99Å; H59-W746 AromaticContact CE1-CH2 3.57Å; H59-W746 AromaticContact CE1-CZ2 3.62Å; H59-W746 AromaticContact CE1-CZ3 3.78Å; H59-W746 AromaticContact NE2-CE3 3.95Å; H59-W746 AromaticContact NE2-CH2 3.97Å; H59-W746 AromaticContact NE2-CZ3 3.75Å; I63-W746 HydrophobicContact CB-CB 4.29Å; I63-W746 HydrophobicContact CB-CG 4.21Å; I63-W746 HydrophobicContact CD1-CB 4.11Å; I63-W746 HydrophobicContact CD1-CG 4.35Å; I63-W746 HydrophobicContact CG2-CB 4.38Å; I63-W746 HydrophobicContact CG2-CD2 4.17Å; I63-W746 HydrophobicContact CG2-CG 3.79Å; V742-W746 PolarHBondContact O-N 3.09Å; S743-W746 WeakPolarHBondContact O-CB 3.44Å; S743-W746 PolarHBondContact O-N 2.97Å; M744-W746 VanDerWaalsContact C-N 3.32Å; M744-W746 PolarHBondContact O-N 3.45Å; W746-C748 VanDerWaalsContact C-N 3.32Å; W746-C748 PolarHBondContact O-N 2.89Å; W746-Q749 PolarHBondContact O-N 2.85Å; W746-F750 WeakPolarHBondContact O-CB 3.48Å; W746-F750 PolarHBondContact O-N 3.18Å; W746-L787 HydrophobicContact CZ3-CD1 4.3Å
747	F	93.7	Very high	94.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.3	-41	174.8	-81.1	-62.3	0	0	0	112.6	F48 P49 S743 M744 Q749 F750 Y751 A780 T784 L787	F48-F747 HydrophobicContact CE2-CZ 4.02Å; F48-F747 HydrophobicContact CZ-CZ 4.24Å; P49-F747 HydrophobicContact CG-CD1 4.11Å; P49-F747 HydrophobicContact CG-CE1 3.72Å; S743-F747 VanDerWaalsContact O-CD2 3.27Å; S743-F747 WeakPolarHBondContact O-CD2 3.47Å; S743-F747 PolarHBondContact O-N 3.16Å; M744-F747 PolarHBondContact O-N 2.84Å; F747-Q749 VanDerWaalsContact C-N 3.33Å; F747-Q749 PolarHBondContact O-N 3.43Å; F747-F750 PolarHBondContact O-N 3.22Å; F747-Y751 AromaticContact CD1-CD2 3.96Å; F747-Y751 HydrophobicContact CD1-CD2 3.96Å; F747-Y751 AromaticContact CD1-CE2 3.65Å; F747-Y751 HydrophobicContact CD1-CE2 3.65Å; F747-Y751 HydrophobicContact CE1-CE2 4.11Å; F747-Y751 WeakPolarHBondContact O-CB 3.49Å; F747-Y751 PolarHBondContact O-N 3.23Å; F747-A780 HydrophobicContact CB-CB 3.85Å; F747-A780 HydrophobicContact CD2-CB 4.43Å; F747-A780 HydrophobicContact CG-CB 4.07Å; F747-T784 WeakPolarHBondContact CD2-OG1 3.45Å; F747-L787 HydrophobicContact CE2-CD1 3.99Å; F747-L787 HydrophobicContact CZ-CD1 4.03Å
748	C	93.5	Very high	94.4	Very high	19 Å²	19	20.4 Å²	20.4	13%	0.128	11%	0.112	C	C	.	.	H	α-helix	trans	-62.6	-41.3	177.4	-68	0	0	0	0	112.1	M744 R745 W746 G752 I753	M744-C748 PolarHBondContact O-N 2.9Å; M744-C748 PolarHBondContact O-SG 3.4Å; R745-C748 PolarHBondContact O-N 3.27Å; W746-C748 VanDerWaalsContact C-N 3.32Å; W746-C748 PolarHBondContact O-N 2.89Å; C748-G752 CarbonylContact O-C 3.53Å; C748-G752 VanDerWaalsContact O-CA 3.27Å; C748-G752 WeakPolarHBondContact O-CA 3.25Å; C748-G752 PolarHBondContact O-N 3.23Å; C748-I753 HydrophobicContact CB-CB 4.22Å; C748-I753 PolarHBondContact O-N 3.03Å
749	Q	91.5	Very high	94.2	Very high	107 Å²	107	20.4 Å²	20.4	50%	0.5	11%	0.112	S	C	.	.	H	α-helix	trans	-67.4	-46.1	176.2	-70.6	172.4	-3.7	0	0	111.8	R745 W746 F747 Y751	R745-Q749 WeakPolarHBondContact O-CG 3.43Å; R745-Q749 PolarHBondContact O-N 3.44Å; W746-Q749 PolarHBondContact O-N 2.85Å; F747-Q749 VanDerWaalsContact C-N 3.33Å; F747-Q749 PolarHBondContact O-N 3.43Å; Q749-Y751 PolarHBondContact O-N 3.33Å
750	F	89.6	Confident	94	Very high	61 Å²	61	20.8 Å²	20.8	27%	0.268	11%	0.114	S	C	.	.	H	α-helix	trans	-64.7	-41.7	-176.7	-171.2	-87.5	0	0	0	112.2	P49 W746 F747	P49-F750 HydrophobicContact CB-CD1 3.93Å; P49-F750 HydrophobicContact CB-CD2 4.21Å; P49-F750 HydrophobicContact CB-CE1 3.68Å; P49-F750 HydrophobicContact CB-CE2 3.97Å; P49-F750 HydrophobicContact CB-CG 4.2Å; P49-F750 HydrophobicContact CB-CZ 3.71Å; P49-F750 HydrophobicContact CG-CD1 3.83Å; P49-F750 HydrophobicContact CG-CE1 3.95Å; P49-F750 HydrophobicContact CG-CG 4.25Å; P49-F750 HydrophobicContact CG-CZ 4.47Å; W746-F750 WeakPolarHBondContact O-CB 3.48Å; W746-F750 PolarHBondContact O-N 3.18Å; F747-F750 PolarHBondContact O-N 3.22Å
751	Y	87.1	Confident	93.4	Very high	32 Å²	32	21.1 Å²	21.1	13%	0.125	12%	0.116	C	C	.	.	H	α-helix	trans	-98.7	-0.1	-177.2	-68.4	-56.1	0	0	0	114.6	Y47 P49 F747 Q749 I753 F855	Y47-Y751 PolarHBondContact O-OH 2.88Å; P49-Y751 VanDerWaalsContact CD-OH 3.22Å; P49-Y751 WeakPolarHBondContact CD-OH 3.48Å; P49-Y751 HydrophobicContact CG-CE2 3.84Å; P49-Y751 WeakPolarHBondContact CG-OH 3.3Å; F747-Y751 AromaticContact CD1-CD2 3.96Å; F747-Y751 HydrophobicContact CD1-CD2 3.96Å; F747-Y751 AromaticContact CD1-CE2 3.65Å; F747-Y751 HydrophobicContact CD1-CE2 3.65Å; F747-Y751 HydrophobicContact CE1-CE2 4.11Å; F747-Y751 WeakPolarHBondContact O-CB 3.49Å; F747-Y751 PolarHBondContact O-N 3.23Å; Q749-Y751 PolarHBondContact O-N 3.33Å; Y751-I753 VanDerWaalsContact C-N 3.26Å; Y751-I753 PolarHBondContact O-N 2.95Å; Y751-F855 AromaticContact CD1-CD1 3.49Å; Y751-F855 HydrophobicContact CD1-CD1 3.49Å; Y751-F855 VanDerWaalsContact CD1-CD1 3.49Å; Y751-F855 AromaticContact CD1-CE1 3.52Å; Y751-F855 HydrophobicContact CD1-CE1 3.52Å; Y751-F855 HydrophobicContact CD2-CD1 4.41Å; Y751-F855 AromaticContact CD2-CE1 3.63Å; Y751-F855 HydrophobicContact CD2-CE1 3.63Å; Y751-F855 AromaticContact CE1-CD1 3.23Å; Y751-F855 HydrophobicContact CE1-CD1 3.23Å; Y751-F855 AromaticContact CE1-CE1 3.44Å; Y751-F855 HydrophobicContact CE1-CE1 3.44Å; Y751-F855 VanDerWaalsContact CE1-CE1 3.44Å; Y751-F855 HydrophobicContact CE1-CG 4.47Å; Y751-F855 HydrophobicContact CE2-CD1 4.14Å; Y751-F855 AromaticContact CE2-CE1 3.46Å; Y751-F855 HydrophobicContact CE2-CE1 3.46Å; Y751-F855 VanDerWaalsContact CE2-CE1 3.46Å; Y751-F855 HydrophobicContact CE2-CZ 4.34Å; Y751-F855 HydrophobicContact CG-CD1 4.09Å; Y751-F855 AromaticContact CG-CE1 3.63Å; Y751-F855 HydrophobicContact CG-CE1 3.63Å; Y751-F855 AromaticContact CZ-CD1 3.56Å; Y751-F855 AromaticContact CZ-CE1 3.37Å
752	G	90.1	Very high	92.4	Very high	57 Å²	57	27.5 Å²	27.5	59%	0.588	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.6	31.5	-176.3	0	0	0	0	0	113.6	C748 Q754	C748-G752 CarbonylContact O-C 3.53Å; C748-G752 VanDerWaalsContact O-CA 3.27Å; C748-G752 WeakPolarHBondContact O-CA 3.25Å; C748-G752 PolarHBondContact O-N 3.23Å; G752-Q754 PolarHBondContact O-N 3.05Å
753	I	92.7	Very high	91.6	Very high	10 Å²	10	30 Å²	30	5%	0.051	16%	0.159	C	C	.	.			trans	-71.4	121.4	-180	-54.5	171.3	0	0	0	108.2	C748 Y751 A755 V769 D773 V776 A777 A780	C748-I753 HydrophobicContact CB-CB 4.22Å; C748-I753 PolarHBondContact O-N 3.03Å; Y751-I753 VanDerWaalsContact C-N 3.26Å; Y751-I753 PolarHBondContact O-N 2.95Å; I753-A755 VanDerWaalsContact C-N 3.35Å; I753-A755 HydrophobicContact CG2-CB 4Å; I753-A755 PolarHBondContact O-N 3.27Å; I753-V769 HydrophobicContact CG2-CG1 4.22Å; I753-D773 HydrophobicContact CG2-CB 3.96Å; I753-V776 HydrophobicContact CD1-CG1 3.84Å; I753-V776 HydrophobicContact CG1-CG1 3.94Å; I753-A777 HydrophobicContact CG2-CB 3.79Å; I753-A780 HydrophobicContact CD1-CB 3.88Å
754	Q	93.8	Very high	91.1	Very high	59 Å²	59	30.8 Å²	30.8	28%	0.276	16%	0.163	S	C	.	.			trans	-79.8	87.7	173.9	-169.5	179.7	34.7	0	0	109.9	G752 V769 S770 D773	G752-Q754 PolarHBondContact O-N 3.05Å; Q754-V769 WeakPolarHBondContact O-CA 3.4Å; Q754-S770 PolarHBondContact O-N 3.47Å; Q754-S770 PolarHBondContact OE1-OG 3.41Å; Q754-D773 WeakPolarHBondContact CB-OD2 3.03Å; Q754-D773 PolarHBondContact N-OD2 3.33Å
755	A	95.2	Very high	91	Very high	19 Å²	19	30.9 Å²	30.9	16%	0.157	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	149.9	178.6	0	0	0	0	0	111.5	I753 L768 V769	I753-A755 VanDerWaalsContact C-N 3.35Å; I753-A755 HydrophobicContact CG2-CB 4Å; I753-A755 PolarHBondContact O-N 3.27Å; A755-L768 CarbonylContact C-O 3.51Å; A755-L768 VanDerWaalsContact CA-O 3.32Å; A755-L768 WeakPolarHBondContact CA-O 3.21Å; A755-V769 HydrophobicContact CB-CB 4.49Å; A755-V769 HydrophobicContact CB-CG1 4.37Å; A755-V769 HydrophobicContact CB-CG2 3.88Å
756	R	95.1	Very high	90.9	Very high	6 Å²	6	29.5 Å²	29.5	2%	0.023	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	137.4	173.2	179.3	168.6	178.6	165	-17.3	110	Q189 S191 I192 Q193 D194 S758 Y767 L768	Q189-R756 PolarHBondContact O-NH2 3.01Å; S191-R756 PolarHBondContact O-NH1 3.33Å; I192-R756 VanDerWaalsContact O-CD 3.23Å; I192-R756 WeakPolarHBondContact O-CD 3.45Å; Q193-R756 PolarHBondContact O-NH1 3.02Å; D194-R756 HydrophobicContact CB-CB 4.41Å; D194-R756 HydrophobicContact CB-CG 4.29Å; R756-S758 PolarHBondContact O-N 2.87Å; R756-Y767 CarbonylContact O-C 3.59Å; R756-Y767 WeakPolarHBondContact O-CA 3.15Å; R756-L768 PolarHBondContact N-O 3.29Å; R756-L768 PolarHBondContact O-N 2.91Å
757	F	96.1	Very high	91	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.018	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	125	172.3	178.2	-111.1	0	0	0	110.2	M318 L741 I759 V765 Y767	M318-F757 HydrophobicContact CG-CE1 4.49Å; L741-F757 HydrophobicContact CD2-CD2 3.58Å; L741-F757 HydrophobicContact CD2-CE2 3.5Å; L741-F757 VanDerWaalsContact CD2-CE2 3.5Å; L741-F757 HydrophobicContact CD2-CG 4.38Å; L741-F757 HydrophobicContact CD2-CZ 4.23Å; F757-I759 VanDerWaalsContact CZ-C 3.45Å; F757-V765 HydrophobicContact CE2-CG1 4.22Å; F757-Y767 HydrophobicContact CB-CD1 4.36Å; F757-Y767 HydrophobicContact CB-CE1 4.06Å; F757-Y767 HydrophobicContact CD2-CE1 4.07Å
758	S	95	Very high	91.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-64.4	-177.6	-171.1	0	0	0	0	110.7	S321 Y322 F525 R756 R766	S321-S758 CarbonylContact C-O 3.59Å; S321-S758 VanDerWaalsContact CA-O 3.25Å; S321-S758 WeakPolarHBondContact CA-O 3.42Å; S321-S758 VanDerWaalsContact CB-O 3.28Å; S321-S758 WeakPolarHBondContact CB-O 3.41Å; Y322-S758 PolarHBondContact N-O 3.28Å; Y322-S758 VanDerWaalsContact O-CA 3.27Å; Y322-S758 WeakPolarHBondContact O-CA 3.48Å; Y322-S758 WeakPolarHBondContact O-CB 3.43Å; Y322-S758 PolarHBondContact O-OG 2.94Å; F525-S758 WeakPolarHBondContact CE1-OG 3.48Å; R756-S758 PolarHBondContact O-N 2.87Å; S758-R766 WeakPolarHBondContact CA-O 3.48Å; S758-R766 VanDerWaalsContact CB-O 3.3Å; S758-R766 WeakPolarHBondContact CB-O 3.46Å; S758-R766 PolarHBondContact N-O 3.39Å
759	I	93.7	Very high	91.2	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	158.1	175.4	-166.1	162.8	0	0	0	110.3	L323 W496 M497 F757 I761 R766 L817	L323-I759 HydrophobicContact CD1-CD1 4.34Å; L323-I759 HydrophobicContact CD2-CB 4.01Å; L323-I759 HydrophobicContact CD2-CG2 3.88Å; W496-I759 HydrophobicContact CB-CD1 3.47Å; W496-I759 VanDerWaalsContact CB-CD1 3.47Å; W496-I759 HydrophobicContact CG-CD1 4.46Å; M497-I759 HydrophobicContact CE-CG1 4.48Å; M497-I759 HydrophobicContact CG-CD1 4.45Å; F757-I759 VanDerWaalsContact CZ-C 3.45Å; I759-I761 HydrophobicContact CD1-CD1 4.41Å; I759-I761 HydrophobicContact CD1-CG1 4.05Å; I759-I761 HydrophobicContact CG1-CG1 4.02Å; I759-I761 HydrophobicContact CG2-CD1 4.08Å; I759-I761 HydrophobicContact CG2-CG1 4.06Å; I759-R766 HydrophobicContact CG2-CB 4.43Å; I759-R766 PolarHBondContact N-O 2.85Å; I759-R766 PolarHBondContact O-N 3.45Å; I759-L817 HydrophobicContact CG2-CD2 4.45Å
760	S	92	Very high	91.4	Very high	8 Å²	8	23.9 Å²	23.9	6%	0.056	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127.5	162	177.7	0	0	0	0	109.2	M497 E764	M497-S760 WeakPolarHBondContact CE-O 3.36Å; S760-E764 CarbonylContact C-O 3.49Å; S760-E764 WeakPolarHBondContact CA-O 3.4Å; S760-E764 WeakPolarHBondContact CB-O 3.44Å; S760-E764 PolarHBondContact OG-O 2.94Å
761	I	84.2	Confident	91.5	Very high	7 Å²	7	23.4 Å²	23.4	4%	0.036	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	103.1	-178.4	-56.3	171.1	0	0	0	106.2	W496 I759 D763 E764	W496-I761 WeakPolarHBondContact O-CD1 3.45Å; I759-I761 HydrophobicContact CD1-CD1 4.41Å; I759-I761 HydrophobicContact CD1-CG1 4.05Å; I759-I761 HydrophobicContact CG1-CG1 4.02Å; I759-I761 HydrophobicContact CG2-CD1 4.08Å; I759-I761 HydrophobicContact CG2-CG1 4.06Å; I761-D763 PolarHBondContact O-N 3.46Å; I761-D763 VanDerWaalsContact O-N 3.1Å; I761-E764 HydrophobicContact CB-CB 4.48Å; I761-E764 PolarHBondContact N-O 2.93Å; I761-E764 VanDerWaalsContact O-CB 3.24Å; I761-E764 WeakPolarHBondContact O-CB 3.35Å; I761-E764 PolarHBondContact O-N 2.92Å
762	H	77.6	Confident	91.6	Very high	136 Å²	136	28.7 Å²	28.7	63%	0.63	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	-109.1	-173	-49.9	-56	0	0	0	112.6
763	D	78.8	Confident	91.7	Very high	52 Å²	52	26.7 Å²	26.7	28%	0.278	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-3	179.2	39.5	-1.5	0	0	0	113.2	D529 V530 I761	D529-D763 WeakPolarHBondContact OD1-CB 3.37Å; V530-D763 HydrophobicContact CB-CB 4.46Å; V530-D763 PolarHBondContact N-O 3.38Å; I761-D763 PolarHBondContact O-N 3.46Å; I761-D763 VanDerWaalsContact O-N 3.1Å
764	E	87.5	Confident	91.6	Very high	18 Å²	18	27.5 Å²	27.5	8%	0.084	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	135.3	178.6	-167.1	-177.1	159.4	0	0	111.2	S760 I761 R766	S760-E764 CarbonylContact C-O 3.49Å; S760-E764 WeakPolarHBondContact CA-O 3.4Å; S760-E764 WeakPolarHBondContact CB-O 3.44Å; S760-E764 PolarHBondContact OG-O 2.94Å; I761-E764 HydrophobicContact CB-CB 4.48Å; I761-E764 PolarHBondContact N-O 2.93Å; I761-E764 VanDerWaalsContact O-CB 3.24Å; I761-E764 WeakPolarHBondContact O-CB 3.35Å; I761-E764 PolarHBondContact O-N 2.92Å; E764-R766 HydrophobicContact CG-CG 4.24Å; E764-R766 IonicContact OE1-CZ 2.77Å; E764-R766 IonicContact OE1-NE 3.39Å; E764-R766 PolarHBondContact OE1-NE 3.29Å; E764-R766 IonicContact OE1-NH2 2.73Å; E764-R766 PolarHBondContact OE1-NH2 2.94Å
765	V	92.9	Very high	91.3	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.018	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	124.9	173.9	-174.8	0	0	0	0	110	G527 S528 L737 M740 L741 F757 Y767	G527-V765 WeakPolarHBondContact CA-O 3.22Å; S528-V765 PolarHBondContact N-O 2.84Å; S528-V765 PolarHBondContact O-N 3.3Å; S528-V765 VanDerWaalsContact O-N 3.1Å; L737-V765 HydrophobicContact CD1-CG2 3.59Å; M740-V765 HydrophobicContact CE-CB 4.2Å; M740-V765 HydrophobicContact CE-CG2 3.85Å; M740-V765 HydrophobicContact SD-CG2 4.32Å; L741-V765 HydrophobicContact CD2-CG1 4.38Å; F757-V765 HydrophobicContact CE2-CG1 4.22Å; V765-Y767 HydrophobicContact CG1-CD2 4.23Å; V765-Y767 HydrophobicContact CG1-CE2 3.47Å; V765-Y767 VanDerWaalsContact CG1-CE2 3.47Å
766	R	94.6	Very high	91	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.015	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	134.8	-176.6	-64.9	-80.7	178.4	-178.1	4	112.1	S758 I759 E764 E812 L817 R818	S758-R766 WeakPolarHBondContact CA-O 3.48Å; S758-R766 VanDerWaalsContact CB-O 3.3Å; S758-R766 WeakPolarHBondContact CB-O 3.46Å; S758-R766 PolarHBondContact N-O 3.39Å; I759-R766 HydrophobicContact CG2-CB 4.43Å; I759-R766 PolarHBondContact N-O 2.85Å; I759-R766 PolarHBondContact O-N 3.45Å; E764-R766 HydrophobicContact CG-CG 4.24Å; E764-R766 IonicContact OE1-CZ 2.77Å; E764-R766 IonicContact OE1-NE 3.39Å; E764-R766 PolarHBondContact OE1-NE 3.29Å; E764-R766 IonicContact OE1-NH2 2.73Å; E764-R766 PolarHBondContact OE1-NH2 2.94Å; R766-E812 IonicContact CZ-OE2 3Å; R766-E812 IonicContact NH1-OE2 3.26Å; R766-E812 PolarHBondContact NH1-OE2 3.22Å; R766-E812 IonicContact NH2-OE2 3.44Å; R766-E812 PolarHBondContact NH2-OE2 3.38Å; R766-L817 HydrophobicContact CB-CD1 4.37Å; R766-L817 HydrophobicContact CG-CD1 3.76Å; R766-R818 PolarHBondContact NH2-O 3.4Å; R766-R818 VanDerWaalsContact NH2-O 3.16Å
767	Y	96.5	Very high	90.8	Very high	12 Å²	12	26.3 Å²	26.3	5%	0.047	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	140.1	173.5	-68.5	-90.9	0	0	0	110.3	F525 V526 L741 M744 R756 F757 V765 L781	F525-Y767 CarbonylContact C-O 3.55Å; F525-Y767 VanDerWaalsContact CA-O 3.29Å; F525-Y767 WeakPolarHBondContact CA-O 3.48Å; V526-Y767 PolarHBondContact N-O 3.43Å; V526-Y767 PolarHBondContact O-N 3.07Å; L741-Y767 WeakPolarHBondContact CD2-OH 3.41Å; M744-Y767 HydrophobicContact CB-CE1 4.32Å; M744-Y767 HydrophobicContact CB-CE2 4.33Å; M744-Y767 WeakPolarHBondContact CB-OH 3.34Å; M744-Y767 HydrophobicContact CG-CD1 4.34Å; M744-Y767 HydrophobicContact CG-CD2 4.4Å; M744-Y767 HydrophobicContact CG-CE1 3.77Å; M744-Y767 HydrophobicContact CG-CE2 3.81Å; M744-Y767 VanDerWaalsContact CG-CZ 3.47Å; R756-Y767 CarbonylContact O-C 3.59Å; R756-Y767 WeakPolarHBondContact O-CA 3.15Å; F757-Y767 HydrophobicContact CB-CD1 4.36Å; F757-Y767 HydrophobicContact CB-CE1 4.06Å; F757-Y767 HydrophobicContact CD2-CE1 4.07Å; V765-Y767 HydrophobicContact CG1-CD2 4.23Å; V765-Y767 HydrophobicContact CG1-CE2 3.47Å; V765-Y767 VanDerWaalsContact CG1-CE2 3.47Å; Y767-L781 HydrophobicContact CE2-CD1 3.96Å
768	L	96.3	Very high	90.6	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	118.2	165.6	-176.3	67.7	0	0	0	108.3	I192 Y322 P324 A519 Y523 F525 A755 R756	I192-L768 HydrophobicContact CG2-CD2 3.96Å; Y322-L768 HydrophobicContact CD1-CD2 4.09Å; Y322-L768 HydrophobicContact CE1-CD2 3.82Å; P324-L768 HydrophobicContact CG-CD1 4.16Å; P324-L768 HydrophobicContact CG-CD2 4.01Å; A519-L768 HydrophobicContact CB-CD1 3.74Å; Y523-L768 HydrophobicContact CD1-CD2 4.49Å; Y523-L768 HydrophobicContact CD1-CG 4.1Å; F525-L768 HydrophobicContact CD1-CB 4.48Å; F525-L768 HydrophobicContact CD1-CD1 4.12Å; F525-L768 HydrophobicContact CE1-CB 4.35Å; F525-L768 HydrophobicContact CE1-CD1 3.9Å; F525-L768 HydrophobicContact CZ-CD1 4.34Å; A755-L768 CarbonylContact C-O 3.51Å; A755-L768 VanDerWaalsContact CA-O 3.32Å; A755-L768 WeakPolarHBondContact CA-O 3.21Å; R756-L768 PolarHBondContact N-O 3.29Å; R756-L768 PolarHBondContact O-N 2.91Å
769	V	95.9	Very high	90.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	143.6	-171.5	-171	0	0	0	0	110.1	Y523 R524 V526 I753 Q754 A755 D773 A777	Y523-V769 CarbonylContact C-O 3.59Å; Y523-V769 VanDerWaalsContact CA-O 3.23Å; Y523-V769 WeakPolarHBondContact CA-O 3.08Å; R524-V769 PolarHBondContact N-O 3.21Å; R524-V769 PolarHBondContact O-N 3.13Å; V526-V769 HydrophobicContact CB-CG2 3.82Å; V526-V769 HydrophobicContact CG2-CB 3.94Å; V526-V769 HydrophobicContact CG2-CG2 3.65Å; I753-V769 HydrophobicContact CG2-CG1 4.22Å; Q754-V769 WeakPolarHBondContact O-CA 3.4Å; A755-V769 HydrophobicContact CB-CB 4.49Å; A755-V769 HydrophobicContact CB-CG1 4.37Å; A755-V769 HydrophobicContact CB-CG2 3.88Å; V769-D773 HydrophobicContact CG1-CB 3.92Å; V769-A777 HydrophobicContact CB-CB 4.32Å; V769-A777 HydrophobicContact CG1-CB 3.62Å; V769-A777 HydrophobicContact CG2-CB 3.81Å
770	S	94.8	Very high	90.2	Very high	12 Å²	12	26.2 Å²	26.2	8%	0.084	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	141	169.5	-173.8	0	0	0	0	111.9	Q754 K772 D773 K774	Q754-S770 PolarHBondContact O-N 3.47Å; Q754-S770 PolarHBondContact OE1-OG 3.41Å; S770-K772 PolarHBondContact O-N 3.05Å; S770-K772 VanDerWaalsContact O-N 3.13Å; S770-K772 WeakPolarHBondContact OG-CG 3.47Å; S770-D773 PolarHBondContact O-N 2.99Å; S770-K774 PolarHBondContact O-N 3.49Å
771	E	91	Very high	90.2	Very high	51 Å²	51	25.9 Å²	25.9	24%	0.238	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-30.8	-178.2	-174.4	79.7	-142.4	0	0	112.6	G522 R524 K774	G522-E771 WeakPolarHBondContact O-CB 3.33Å; G522-E771 PolarHBondContact O-N 2.83Å; R524-E771 WeakPolarHBondContact CD-OE2 3.42Å; R524-E771 VanDerWaalsContact CG-OE2 3.25Å; R524-E771 WeakPolarHBondContact CG-OE2 3.2Å; R524-E771 IonicContact CZ-OE1 2.77Å; R524-E771 IonicContact CZ-OE2 3.9Å; R524-E771 IonicContact NE-OE1 2.61Å; R524-E771 PolarHBondContact NE-OE1 3.48Å; R524-E771 IonicContact NE-OE2 3.87Å; R524-E771 PolarHBondContact NE-OE2 3.03Å; R524-E771 IonicContact NH2-OE1 3.59Å; R524-E771 PolarHBondContact NH2-OE1 2.91Å; R524-E771 IonicContact NH2-OE2 3.12Å; E771-K774 WeakPolarHBondContact O-CD 3.45Å; E771-K774 WeakPolarHBondContact O-CG 3.37Å; E771-K774 PolarHBondContact O-NZ 2.98Å; E771-K774 IonicContact OE1-NZ 3.26Å; E771-K774 PolarHBondContact OE1-NZ 2.89Å
772	K	90.6	Very high	90.5	Very high	142 Å²	142	25.5 Å²	25.5	62%	0.617	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-32.4	175.4	50.4	157.8	-171.4	171.8	0	112.9	S770	S770-K772 PolarHBondContact O-N 3.05Å; S770-K772 VanDerWaalsContact O-N 3.13Å; S770-K772 WeakPolarHBondContact OG-CG 3.47Å
773	D	90.9	Very high	91.1	Very high	15 Å²	15	19.3 Å²	19.3	8%	0.08	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-6.6	-170.4	-56.6	-24.7	0	0	0	112.7	I753 Q754 V769 S770 Y775 V776 A777	I753-D773 HydrophobicContact CG2-CB 3.96Å; Q754-D773 WeakPolarHBondContact CB-OD2 3.03Å; Q754-D773 PolarHBondContact N-OD2 3.33Å; V769-D773 HydrophobicContact CG1-CB 3.92Å; S770-D773 PolarHBondContact O-N 2.99Å; D773-Y775 VanDerWaalsContact C-N 3.26Å; D773-Y775 PolarHBondContact O-N 3.13Å; D773-V776 PolarHBondContact O-N 2.94Å; D773-A777 PolarHBondContact O-N 3.42Å
774	K	91.3	Very high	91.9	Very high	27 Å²	27	16.9 Å²	16.9	12%	0.117	8%	0.076	C	C	.	.	H	α-helix	trans	-49.6	-39.4	-172.9	72.2	-169	-178.9	-124.8	0	114.9	R524 V526 S770 E771 A778 I813	R524-K774 HydrophobicContact CB-CB 4.39Å; R524-K774 HydrophobicContact CG-CD 3.97Å; V526-K774 HydrophobicContact CG2-CB 4.05Å; S770-K774 PolarHBondContact O-N 3.49Å; E771-K774 WeakPolarHBondContact O-CD 3.45Å; E771-K774 WeakPolarHBondContact O-CG 3.37Å; E771-K774 PolarHBondContact O-NZ 2.98Å; E771-K774 IonicContact OE1-NZ 3.26Å; E771-K774 PolarHBondContact OE1-NZ 2.89Å; K774-A778 WeakPolarHBondContact O-CB 3.5Å; K774-A778 PolarHBondContact O-N 2.94Å; K774-I813 HydrophobicContact CB-CG2 4.19Å; K774-I813 HydrophobicContact CD-CG2 3.93Å; K774-I813 HydrophobicContact CG-CD1 4.5Å; K774-I813 HydrophobicContact CG-CG2 4.26Å
775	Y	88.2	Confident	92.2	Very high	52 Å²	52	16 Å²	16	20%	0.204	7%	0.072	C	C	.	.	H	α-helix	trans	-79.5	-35.2	-179.6	-61.6	-60.3	0	0	0	112.8	D773 A778 L779 I813 L845 L848 I851	D773-Y775 VanDerWaalsContact C-N 3.26Å; D773-Y775 PolarHBondContact O-N 3.13Å; Y775-A778 PolarHBondContact O-N 3.16Å; Y775-L779 PolarHBondContact O-N 2.91Å; Y775-I813 HydrophobicContact CD1-CD1 3.61Å; Y775-I813 HydrophobicContact CE1-CD1 3.79Å; Y775-L845 HydrophobicContact CD1-CD2 3.8Å; Y775-L845 HydrophobicContact CG-CD2 4.48Å; Y775-L848 HydrophobicContact CD1-CD1 3.51Å; Y775-L848 HydrophobicContact CD2-CD1 4.01Å; Y775-L848 HydrophobicContact CE1-CD1 3.67Å; Y775-L848 HydrophobicContact CE2-CD1 4.14Å; Y775-L848 HydrophobicContact CG-CD1 3.7Å; Y775-I851 VanDerWaalsContact CB-CD1 3.49Å
776	V	87.7	Confident	92.1	Very high	7 Å²	7	16.9 Å²	16.9	4%	0.042	8%	0.077	C	C	.	.	H	α-helix	trans	-65.6	-43.9	174.2	179.6	0	0	0	0	109.3	I753 D773 A778 L779 A780 T854 F855	I753-V776 HydrophobicContact CD1-CG1 3.84Å; I753-V776 HydrophobicContact CG1-CG1 3.94Å; D773-V776 PolarHBondContact O-N 2.94Å; V776-A778 PolarHBondContact O-N 3.43Å; V776-L779 PolarHBondContact O-N 3.44Å; V776-A780 WeakPolarHBondContact O-CB 3.4Å; V776-A780 PolarHBondContact O-N 3.41Å; V776-T854 HydrophobicContact CG2-CG2 4.3Å; V776-F855 HydrophobicContact CG1-CE1 3.83Å; V776-F855 HydrophobicContact CG1-CE2 4.35Å; V776-F855 HydrophobicContact CG1-CZ 3.6Å
777	A	91.8	Very high	92.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.5	-40.2	173.5	0	0	0	0	0	112.5	V526 M744 I753 V769 D773 L779 A780 L781	V526-A777 HydrophobicContact CG1-CB 4.5Å; M744-A777 HydrophobicContact CE-CB 4.04Å; I753-A777 HydrophobicContact CG2-CB 3.79Å; V769-A777 HydrophobicContact CB-CB 4.32Å; V769-A777 HydrophobicContact CG1-CB 3.62Å; V769-A777 HydrophobicContact CG2-CB 3.81Å; D773-A777 PolarHBondContact O-N 3.42Å; A777-L779 VanDerWaalsContact C-N 3.32Å; A777-L779 PolarHBondContact O-N 3.11Å; A777-A780 PolarHBondContact O-N 3.45Å; A777-L781 PolarHBondContact O-N 3.12Å
778	A	91.6	Very high	92.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.1	-41.4	176.3	0	0	0	0	0	111.7	V526 K774 Y775 V776 L781 Q782 M811 I813 L845	V526-A778 HydrophobicContact CG1-CB 3.84Å; K774-A778 WeakPolarHBondContact O-CB 3.5Å; K774-A778 PolarHBondContact O-N 2.94Å; Y775-A778 PolarHBondContact O-N 3.16Å; V776-A778 PolarHBondContact O-N 3.43Å; A778-L781 PolarHBondContact O-N 3.35Å; A778-Q782 WeakPolarHBondContact O-CG 3.49Å; A778-Q782 PolarHBondContact O-N 3.22Å; A778-Q782 VanDerWaalsContact O-N 3.08Å; A778-M811 HydrophobicContact CB-CB 4.32Å; A778-M811 HydrophobicContact CB-CE 3.97Å; A778-M811 HydrophobicContact CB-CG 4.41Å; A778-I813 HydrophobicContact CB-CD1 4.06Å; A778-L845 HydrophobicContact CB-CD1 3.88Å; A778-L845 HydrophobicContact CB-CD2 3.97Å
779	L	88.4	Confident	92	Very high	2 Å²	2	17 Å²	17	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-68.6	-40	174.7	-169.3	70.3	0	0	0	112.1	Y775 V776 A777 L781 Q782 Y783 L846 I851 F855	Y775-L779 PolarHBondContact O-N 2.91Å; V776-L779 PolarHBondContact O-N 3.44Å; A777-L779 VanDerWaalsContact C-N 3.32Å; A777-L779 PolarHBondContact O-N 3.11Å; L779-L781 VanDerWaalsContact C-N 3.27Å; L779-L781 PolarHBondContact O-N 3.48Å; L779-Q782 WeakPolarHBondContact O-CB 3.44Å; L779-Q782 PolarHBondContact O-N 2.79Å; L779-Y783 HydrophobicContact CD1-CE2 4.11Å; L779-Y783 HydrophobicContact CD2-CD2 4.47Å; L779-Y783 HydrophobicContact CD2-CE2 3.68Å; L779-Y783 HydrophobicContact CG-CD2 3.98Å; L779-Y783 HydrophobicContact CG-CE2 3.57Å; L779-Y783 WeakPolarHBondContact O-CD2 3.21Å; L779-Y783 PolarHBondContact O-N 2.94Å; L779-L846 HydrophobicContact CD1-CD2 4.18Å; L779-L846 HydrophobicContact CD1-CG 4.48Å; L779-L846 HydrophobicContact CD2-CD2 4.25Å; L779-I851 HydrophobicContact CD2-CG2 4.11Å; L779-F855 HydrophobicContact CD2-CE2 3.6Å; L779-F855 HydrophobicContact CD2-CZ 4.1Å
780	A	91.8	Very high	92	Very high	1 Å²	1	18 Å²	18	1%	0.008	9%	0.085	C	C	.	.	H	α-helix	trans	-60.2	-37.5	174.6	0	0	0	0	0	112	M744 F747 I753 V776 A777 Y783 T784	M744-A780 HydrophobicContact CE-CB 4.05Å; M744-A780 HydrophobicContact SD-CB 3.92Å; F747-A780 HydrophobicContact CB-CB 3.85Å; F747-A780 HydrophobicContact CD2-CB 4.43Å; F747-A780 HydrophobicContact CG-CB 4.07Å; I753-A780 HydrophobicContact CD1-CB 3.88Å; V776-A780 WeakPolarHBondContact O-CB 3.4Å; V776-A780 PolarHBondContact O-N 3.41Å; A777-A780 PolarHBondContact O-N 3.45Å; A780-Y783 PolarHBondContact O-N 3.02Å; A780-T784 VanDerWaalsContact O-CB 3.32Å; A780-T784 WeakPolarHBondContact O-CB 3.45Å; A780-T784 PolarHBondContact O-N 3.36Å; A780-T784 PolarHBondContact O-OG1 3.43Å
781	L	92.8	Very high	92.1	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	8%	0.082	C	C	.	.	H	α-helix	trans	-69.7	-39.6	175.8	-166.5	59.2	0	0	0	111.5	M740 M744 Y767 A777 A778 L779 Y783 T784 N785 F808 M811	M740-L781 HydrophobicContact CE-CD1 4Å; M744-L781 HydrophobicContact SD-CB 4.25Å; M744-L781 HydrophobicContact SD-CD1 4.23Å; Y767-L781 HydrophobicContact CE2-CD1 3.96Å; A777-L781 PolarHBondContact O-N 3.12Å; A778-L781 PolarHBondContact O-N 3.35Å; L779-L781 VanDerWaalsContact C-N 3.27Å; L779-L781 PolarHBondContact O-N 3.48Å; L781-Y783 VanDerWaalsContact C-N 3.34Å; L781-Y783 PolarHBondContact O-N 3.49Å; L781-T784 HydrophobicContact CD1-CG2 4.36Å; L781-T784 WeakPolarHBondContact O-CB 3.13Å; L781-T784 PolarHBondContact O-N 3.28Å; L781-N785 PolarHBondContact O-N 3.41Å; L781-F808 HydrophobicContact CD2-CE2 4.49Å; L781-F808 HydrophobicContact CG-CE2 3.87Å; L781-F808 WeakPolarHBondContact O-CE2 3.4Å; L781-M811 HydrophobicContact CB-CE 3.93Å; L781-M811 HydrophobicContact CB-SD 4.29Å; L781-M811 HydrophobicContact CD2-CE 3.6Å; L781-M811 HydrophobicContact CD2-SD 4.19Å; L781-M811 HydrophobicContact CG-CE 4.2Å; L781-M811 HydrophobicContact CG-SD 4.4Å
782	Q	90.8	Very high	92.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-57.2	-46.2	171.8	-76.2	-73.6	20.2	0	0	112.1	A778 L779 T784 N785 L786 F807 F808 M811 L845	A778-Q782 WeakPolarHBondContact O-CG 3.49Å; A778-Q782 PolarHBondContact O-N 3.22Å; A778-Q782 VanDerWaalsContact O-N 3.08Å; L779-Q782 WeakPolarHBondContact O-CB 3.44Å; L779-Q782 PolarHBondContact O-N 2.79Å; Q782-T784 VanDerWaalsContact C-N 3.35Å; Q782-N785 PolarHBondContact O-N 3.5Å; Q782-L786 PolarHBondContact O-N 3.34Å; Q782-L786 VanDerWaalsContact O-N 3.14Å; Q782-F807 HydrophobicContact CB-CD1 4.25Å; Q782-F808 PolarHBondContact NE2-O 3.48Å; Q782-F808 VanDerWaalsContact NE2-O 3.14Å; Q782-M811 HydrophobicContact CG-CG 3.64Å; Q782-M811 HydrophobicContact CG-SD 3.98Å; Q782-L845 HydrophobicContact CG-CD1 4.5Å
783	Y	90.1	Very high	92.6	Very high	6 Å²	6	8.4 Å²	8.4	2%	0.024	4%	0.042	C	C	.	.	H	α-helix	trans	-68.2	-34.3	176.2	-74.6	-43	0	0	0	113.4	F48 L779 A780 L781 N785 L786 L787	F48-Y783 AromaticContact CD2-CD1 3.88Å; F48-Y783 HydrophobicContact CD2-CD1 3.88Å; F48-Y783 HydrophobicContact CD2-CD2 4.22Å; F48-Y783 HydrophobicContact CD2-CE1 4.1Å; F48-Y783 HydrophobicContact CD2-CE2 4.4Å; F48-Y783 AromaticContact CD2-CG 3.96Å; F48-Y783 HydrophobicContact CD2-CG 3.96Å; F48-Y783 AromaticContact CE2-CD1 3.82Å; F48-Y783 HydrophobicContact CE2-CD1 3.82Å; F48-Y783 HydrophobicContact CE2-CD2 4.43Å; F48-Y783 HydrophobicContact CE2-CE1 4.48Å; F48-Y783 AromaticContact CE2-CG 3.82Å; F48-Y783 HydrophobicContact CE2-CG 3.82Å; L779-Y783 HydrophobicContact CD1-CE2 4.11Å; L779-Y783 HydrophobicContact CD2-CD2 4.47Å; L779-Y783 HydrophobicContact CD2-CE2 3.68Å; L779-Y783 HydrophobicContact CG-CD2 3.98Å; L779-Y783 HydrophobicContact CG-CE2 3.57Å; L779-Y783 WeakPolarHBondContact O-CD2 3.21Å; L779-Y783 PolarHBondContact O-N 2.94Å; A780-Y783 PolarHBondContact O-N 3.02Å; L781-Y783 VanDerWaalsContact C-N 3.34Å; L781-Y783 PolarHBondContact O-N 3.49Å; Y783-N785 VanDerWaalsContact C-N 3.32Å; Y783-N785 PolarHBondContact O-N 2.96Å; Y783-L786 HydrophobicContact CD1-CD2 4.14Å; Y783-L786 WeakPolarHBondContact O-CB 3.47Å; Y783-L786 PolarHBondContact O-N 3.02Å; Y783-L787 WeakPolarHBondContact O-CB 3.21Å; Y783-L787 WeakPolarHBondContact O-CG 3.33Å; Y783-L787 PolarHBondContact O-N 2.97Å
784	T	94.1	Very high	92.8	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-58	-46.7	172.9	-72.2	0	0	0	0	110.9	M740 S743 F747 A780 L781 Q782 L786 L787 T788	M740-T784 HydrophobicContact CB-CG2 3.8Å; M740-T784 HydrophobicContact CG-CG2 3.94Å; M740-T784 WeakPolarHBondContact O-CG2 3.33Å; S743-T784 WeakPolarHBondContact OG-CA 3.21Å; S743-T784 WeakPolarHBondContact OG-CB 3.37Å; S743-T784 PolarHBondContact OG-OG1 3.26Å; F747-T784 WeakPolarHBondContact CD2-OG1 3.45Å; A780-T784 VanDerWaalsContact O-CB 3.32Å; A780-T784 WeakPolarHBondContact O-CB 3.45Å; A780-T784 PolarHBondContact O-N 3.36Å; A780-T784 PolarHBondContact O-OG1 3.43Å; L781-T784 HydrophobicContact CD1-CG2 4.36Å; L781-T784 WeakPolarHBondContact O-CB 3.13Å; L781-T784 PolarHBondContact O-N 3.28Å; Q782-T784 VanDerWaalsContact C-N 3.35Å; T784-L786 PolarHBondContact O-N 2.96Å; T784-L787 PolarHBondContact O-N 3.33Å; T784-T788 WeakPolarHBondContact O-CB 3.26Å; T784-T788 PolarHBondContact O-N 3.35Å; T784-T788 PolarHBondContact O-OG1 3.39Å
785	N	93.5	Very high	93	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-65.3	-40.2	177.5	-172.9	66.6	0	0	0	113	Y736 L781 Q782 Y783 T788 R789 A806 F808	Y736-N785 PolarHBondContact OH-OD1 3.28Å; L781-N785 PolarHBondContact O-N 3.41Å; Q782-N785 PolarHBondContact O-N 3.5Å; Y783-N785 VanDerWaalsContact C-N 3.32Å; Y783-N785 PolarHBondContact O-N 2.96Å; N785-T788 PolarHBondContact O-N 3.2Å; N785-R789 WeakPolarHBondContact O-CB 3.35Å; N785-R789 WeakPolarHBondContact O-CG 3.42Å; N785-R789 PolarHBondContact O-N 3.45Å; N785-A806 PolarHBondContact ND2-O 3.45Å; N785-F808 HydrophobicContact CB-CD2 3.82Å; N785-F808 HydrophobicContact CB-CE1 4.43Å; N785-F808 HydrophobicContact CB-CE2 3.29Å; N785-F808 HydrophobicContact CB-CZ 3.63Å
786	L	92.6	Very high	93.2	Very high	22 Å²	22	8 Å²	8	12%	0.115	5%	0.047	C	C	.	.	H	α-helix	trans	-56.3	-51.5	172.9	169.1	66.9	0	0	0	111.3	F41 Q782 Y783 T784 R789 A790 L801 A806 F807	F41-L786 HydrophobicContact CE2-CD2 4.31Å; Q782-L786 PolarHBondContact O-N 3.34Å; Q782-L786 VanDerWaalsContact O-N 3.14Å; Y783-L786 HydrophobicContact CD1-CD2 4.14Å; Y783-L786 WeakPolarHBondContact O-CB 3.47Å; Y783-L786 PolarHBondContact O-N 3.02Å; T784-L786 PolarHBondContact O-N 2.96Å; L786-R789 PolarHBondContact O-N 3.42Å; L786-A790 VanDerWaalsContact O-CB 3.26Å; L786-A790 WeakPolarHBondContact O-CB 3.38Å; L786-A790 PolarHBondContact O-N 2.93Å; L786-L801 HydrophobicContact CD1-CD2 3.88Å; L786-A806 VanDerWaalsContact CA-O 3.25Å; L786-A806 WeakPolarHBondContact CA-O 3.43Å; L786-A806 HydrophobicContact CD1-CB 3.85Å; L786-A806 PolarHBondContact N-O 3.44Å; L786-F807 HydrophobicContact CB-CE1 4.36Å; L786-F807 HydrophobicContact CD2-CE1 4.24Å; L786-F807 HydrophobicContact CD2-CZ 4.15Å
787	L	93.9	Very high	93.4	Very high	8 Å²	8	8.1 Å²	8.1	4%	0.042	5%	0.051	C	C	.	.	H	α-helix	trans	-63	-44.2	179.9	-77.6	-178.2	0	0	0	111.8	F48 L51 L56 F60 W746 F747 Y783 T784 A790 F791	F48-L787 HydrophobicContact CE1-CD2 4.32Å; F48-L787 HydrophobicContact CE2-CG 4.46Å; F48-L787 HydrophobicContact CZ-CD1 3.79Å; F48-L787 HydrophobicContact CZ-CD2 3.68Å; F48-L787 HydrophobicContact CZ-CG 3.76Å; L51-L787 HydrophobicContact CD2-CD2 4.16Å; L56-L787 HydrophobicContact CD2-CD2 3.67Å; F60-L787 HydrophobicContact CE2-CB 4.27Å; F60-L787 HydrophobicContact CZ-CB 3.89Å; W746-L787 HydrophobicContact CZ3-CD1 4.3Å; F747-L787 HydrophobicContact CE2-CD1 3.99Å; F747-L787 HydrophobicContact CZ-CD1 4.03Å; Y783-L787 WeakPolarHBondContact O-CB 3.21Å; Y783-L787 WeakPolarHBondContact O-CG 3.33Å; Y783-L787 PolarHBondContact O-N 2.97Å; T784-L787 PolarHBondContact O-N 3.33Å; L787-A790 PolarHBondContact O-N 3.23Å; L787-F791 VanDerWaalsContact O-CB 3.28Å; L787-F791 WeakPolarHBondContact O-CB 3.34Å; L787-F791 PolarHBondContact O-N 2.92Å
788	T	96.1	Very high	93.4	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-60.4	-48.8	178.1	-59.8	0	0	0	0	111.2	Y736 V739 M740 T784 N785 A790 F791 F792	Y736-T788 HydrophobicContact CD1-CG2 3.56Å; Y736-T788 HydrophobicContact CD2-CG2 3.66Å; Y736-T788 HydrophobicContact CE1-CG2 3.63Å; Y736-T788 HydrophobicContact CE2-CG2 3.73Å; Y736-T788 HydrophobicContact CG-CG2 3.59Å; V739-T788 HydrophobicContact CB-CG2 3.93Å; V739-T788 HydrophobicContact CG1-CG2 3.76Å; V739-T788 WeakPolarHBondContact CG1-OG1 3.19Å; M740-T788 HydrophobicContact CG-CG2 4.24Å; T784-T788 WeakPolarHBondContact O-CB 3.26Å; T784-T788 PolarHBondContact O-N 3.35Å; T784-T788 PolarHBondContact O-OG1 3.39Å; N785-T788 PolarHBondContact O-N 3.2Å; T788-A790 PolarHBondContact O-N 2.71Å; T788-F791 PolarHBondContact O-N 3.45Å; T788-F792 HydrophobicContact CG2-CD2 4.14Å; T788-F792 HydrophobicContact CG2-CE2 4.17Å; T788-F792 WeakPolarHBondContact O-CD2 3.45Å; T788-F792 PolarHBondContact O-N 2.85Å
789	R	95.1	Very high	93.4	Very high	11 Å²	11	17.3 Å²	17.3	4%	0.042	9%	0.087	C	C	.	.	H	α-helix	trans	-64.6	-40.9	178.8	-72	-176.7	172.1	-164.3	-7.8	111.9	V530 D531 W536 Y736 N785 L786 F791 F792 A793 L801 V805	V530-R789 VanDerWaalsContact CG1-NH2 3.29Å; D531-R789 PolarHBondContact O-NH2 3.22Å; W536-R789 HydrophobicContact CH2-CB 3.79Å; W536-R789 HydrophobicContact CH2-CG 3.82Å; W536-R789 HydrophobicContact CZ2-CB 4.03Å; W536-R789 HydrophobicContact CZ2-CG 4.14Å; W536-R789 HydrophobicContact CZ3-CB 4.49Å; W536-R789 HydrophobicContact CZ3-CG 4.05Å; Y736-R789 HydrophobicContact CE2-CG 3.87Å; Y736-R789 WeakPolarHBondContact OH-CD 3.29Å; Y736-R789 WeakPolarHBondContact OH-CG 3.48Å; Y736-R789 PolarHBondContact OH-NE 3.45Å; N785-R789 WeakPolarHBondContact O-CB 3.35Å; N785-R789 WeakPolarHBondContact O-CG 3.42Å; N785-R789 PolarHBondContact O-N 3.45Å; L786-R789 PolarHBondContact O-N 3.42Å; R789-F791 VanDerWaalsContact C-N 3.34Å; R789-F791 PolarHBondContact O-N 2.76Å; R789-F792 PolarHBondContact O-N 2.93Å; R789-A793 WeakPolarHBondContact O-CB 3.46Å; R789-A793 PolarHBondContact O-N 3.49Å; R789-L801 HydrophobicContact CB-CD1 3.87Å; R789-L801 HydrophobicContact CB-CD2 3.79Å; R789-L801 HydrophobicContact CB-CG 4.49Å; R789-V805 WeakPolarHBondContact CD-O 3.48Å; R789-V805 PolarHBondContact NE-O 3.05Å; R789-V805 VanDerWaalsContact NH1-C 3.3Å; R789-V805 PolarHBondContact NH1-O 2.85Å
790	A	94.9	Very high	93.4	Very high	20 Å²	20	20.5 Å²	20.5	17%	0.165	11%	0.109	C	C	.	.	H	α-helix	trans	-63.1	-41.1	175.9	0	0	0	0	0	111.8	L56 L786 L787 T788 A793 V794 L801	L56-A790 HydrophobicContact CD1-CB 3.56Å; L786-A790 VanDerWaalsContact O-CB 3.26Å; L786-A790 WeakPolarHBondContact O-CB 3.38Å; L786-A790 PolarHBondContact O-N 2.93Å; L787-A790 PolarHBondContact O-N 3.23Å; T788-A790 PolarHBondContact O-N 2.71Å; A790-A793 PolarHBondContact O-N 2.86Å; A790-V794 WeakPolarHBondContact O-CB 3.42Å; A790-V794 WeakPolarHBondContact O-CG2 3.39Å; A790-V794 PolarHBondContact O-N 3.24Å; A790-L801 HydrophobicContact CB-CD2 4.36Å
791	F	96.6	Very high	93.4	Very high	3 Å²	3	22.6 Å²	22.6	1%	0.013	12%	0.12	C	C	.	.	H	α-helix	trans	-66.2	-41.2	177.9	173.9	-126.5	0	0	0	112.4	L56 K57 F60 V706 L707 V739 L787 T788 R789 S795	L56-F791 HydrophobicContact CB-CB 4.47Å; L56-F791 HydrophobicContact CB-CD2 4.27Å; K57-F791 HydrophobicContact CB-CE2 4.29Å; K57-F791 HydrophobicContact CG-CD2 4.41Å; K57-F791 HydrophobicContact CG-CE2 3.96Å; F60-F791 HydrophobicContact CB-CE1 4.37Å; F60-F791 HydrophobicContact CB-CE2 4.5Å; F60-F791 HydrophobicContact CB-CZ 4.28Å; F60-F791 HydrophobicContact CD2-CB 3.73Å; F60-F791 AromaticContact CD2-CD1 3.7Å; F60-F791 HydrophobicContact CD2-CD1 3.7Å; F60-F791 AromaticContact CD2-CD2 3.82Å; F60-F791 HydrophobicContact CD2-CD2 3.82Å; F60-F791 HydrophobicContact CD2-CE1 4.22Å; F60-F791 HydrophobicContact CD2-CE2 4.34Å; F60-F791 AromaticContact CD2-CG 3.47Å; F60-F791 HydrophobicContact CD2-CG 3.47Å; F60-F791 VanDerWaalsContact CD2-CG 3.47Å; F60-F791 HydrophobicContact CE2-CB 3.52Å; F60-F791 HydrophobicContact CE2-CD1 4.07Å; F60-F791 HydrophobicContact CE2-CD2 4.49Å; F60-F791 AromaticContact CE2-CG 3.8Å; F60-F791 HydrophobicContact CE2-CG 3.8Å; F60-F791 HydrophobicContact CG-CD1 4.2Å; F60-F791 HydrophobicContact CG-CE1 4.34Å; F60-F791 HydrophobicContact CG-CG 4.36Å; V706-F791 HydrophobicContact CG1-CD1 3.79Å; V706-F791 HydrophobicContact CG1-CE1 3.34Å; V706-F791 HydrophobicContact CG1-CZ 3.77Å; L707-F791 HydrophobicContact CD2-CE1 3.87Å; L707-F791 HydrophobicContact CD2-CZ 4.22Å; V739-F791 HydrophobicContact CG1-CD1 4.01Å; V739-F791 HydrophobicContact CG2-CD1 3.92Å; V739-F791 HydrophobicContact CG2-CE1 3.85Å; L787-F791 VanDerWaalsContact O-CB 3.28Å; L787-F791 WeakPolarHBondContact O-CB 3.34Å; L787-F791 PolarHBondContact O-N 2.92Å; T788-F791 PolarHBondContact O-N 3.45Å; R789-F791 VanDerWaalsContact C-N 3.34Å; R789-F791 PolarHBondContact O-N 2.76Å; F791-S795 WeakPolarHBondContact CE2-OG 3.25Å; F791-S795 VanDerWaalsContact O-CB 3.22Å; F791-S795 WeakPolarHBondContact O-CB 3.3Å; F791-S795 PolarHBondContact O-N 3.15Å; F791-S795 PolarHBondContact O-OG 3.32Å
792	F	96.8	Very high	93.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.5	-48.5	172.9	-93.1	-116.3	0	0	0	111.7	W536 I537 L540 V706 S732 D735 Y736 V739 T788 R789 S795 L796	W536-F792 HydrophobicContact CH2-CB 3.7Å; W536-F792 HydrophobicContact CH2-CG 4.47Å; W536-F792 HydrophobicContact CZ3-CB 3.97Å; W536-F792 HydrophobicContact CZ3-CD1 4.22Å; W536-F792 HydrophobicContact CZ3-CG 4.27Å; I537-F792 HydrophobicContact CD1-CE1 4.06Å; I537-F792 HydrophobicContact CG1-CD1 4.28Å; I537-F792 HydrophobicContact CG1-CE1 4.21Å; L540-F792 HydrophobicContact CD2-CB 4.07Å; V706-F792 HydrophobicContact CB-CD2 4.48Å; V706-F792 HydrophobicContact CB-CE1 4.41Å; V706-F792 HydrophobicContact CB-CE2 4.26Å; V706-F792 HydrophobicContact CB-CZ 4.2Å; V706-F792 HydrophobicContact CG1-CD2 3.95Å; V706-F792 HydrophobicContact CG1-CE2 3.86Å; V706-F792 HydrophobicContact CG1-CG 4.47Å; V706-F792 HydrophobicContact CG1-CZ 4.3Å; V706-F792 HydrophobicContact CG2-CB 4.4Å; V706-F792 HydrophobicContact CG2-CD1 3.64Å; V706-F792 HydrophobicContact CG2-CD2 4.09Å; V706-F792 HydrophobicContact CG2-CE1 3.76Å; V706-F792 HydrophobicContact CG2-CE2 4.2Å; V706-F792 HydrophobicContact CG2-CG 3.8Å; V706-F792 HydrophobicContact CG2-CZ 4.03Å; S732-F792 WeakPolarHBondContact O-CZ 3.06Å; D735-F792 HydrophobicContact CB-CZ 3.96Å; Y736-F792 HydrophobicContact CD2-CD1 4.33Å; Y736-F792 HydrophobicContact CD2-CD2 4.24Å; Y736-F792 HydrophobicContact CD2-CE1 4.18Å; Y736-F792 HydrophobicContact CD2-CE2 4.09Å; Y736-F792 HydrophobicContact CD2-CG 4.37Å; Y736-F792 HydrophobicContact CD2-CZ 4.08Å; Y736-F792 HydrophobicContact CG-CE2 4.35Å; Y736-F792 HydrophobicContact CG-CZ 4.31Å; V739-F792 HydrophobicContact CG2-CE2 4.3Å; T788-F792 HydrophobicContact CG2-CD2 4.14Å; T788-F792 HydrophobicContact CG2-CE2 4.17Å; T788-F792 WeakPolarHBondContact O-CD2 3.45Å; T788-F792 PolarHBondContact O-N 2.85Å; R789-F792 PolarHBondContact O-N 2.93Å; F792-S795 PolarHBondContact O-N 2.92Å; F792-L796 PolarHBondContact O-N 3.24Å
793	A	95.4	Very high	93	Very high	1 Å²	1	31 Å²	31	1%	0.008	16%	0.16	C	C	.	.	H	α-helix	trans	-58.4	-52.6	178	0	0	0	0	0	111.8	R789 A790 S795 L796 G797 L798	R789-A793 WeakPolarHBondContact O-CB 3.46Å; R789-A793 PolarHBondContact O-N 3.49Å; A790-A793 PolarHBondContact O-N 2.86Å; A793-S795 VanDerWaalsContact C-N 3.29Å; A793-S795 PolarHBondContact O-N 3.3Å; A793-L796 CarbonylContact O-C 3.55Å; A793-L796 PolarHBondContact O-N 3.15Å; A793-L796 VanDerWaalsContact O-N 3.08Å; A793-G797 PolarHBondContact O-N 2.9Å; A793-L798 CarbonylContact C-O 3.55Å; A793-L798 HydrophobicContact CB-CB 4.08Å; A793-L798 WeakPolarHBondContact CB-O 3.48Å; A793-L798 WeakPolarHBondContact O-CA 3.49Å; A793-L798 WeakPolarHBondContact O-CB 3.46Å; A793-L798 PolarHBondContact O-N 3.44Å
794	V	95	Very high	92.7	Very high	35 Å²	35	34.6 Å²	34.6	21%	0.212	19%	0.186	C	C	.	.	H	α-helix	trans	-63.8	-36	-179.1	169.5	0	0	0	0	111.6	L56 A790 L796 G797 L798 Y799	L56-V794 HydrophobicContact CD1-CG2 4.26Å; A790-V794 WeakPolarHBondContact O-CB 3.42Å; A790-V794 WeakPolarHBondContact O-CG2 3.39Å; A790-V794 PolarHBondContact O-N 3.24Å; V794-L796 PolarHBondContact O-N 3.16Å; V794-G797 PolarHBondContact O-N 3.37Å; V794-L798 WeakPolarHBondContact CA-O 3.35Å; V794-L798 PolarHBondContact N-O 3.27Å; V794-Y799 HydrophobicContact CG1-CD1 4.39Å; V794-Y799 HydrophobicContact CG1-CE1 4.19Å; V794-Y799 HydrophobicContact CG2-CD1 4.27Å
795	S	94.9	Very high	92.4	Very high	25 Å²	25	35.1 Å²	35.1	18%	0.175	19%	0.189	C	C	.	.	H	α-helix	trans	-64.2	-27.9	177	-63.7	0	0	0	0	112.9	F791 F792 A793	F791-S795 WeakPolarHBondContact CE2-OG 3.25Å; F791-S795 VanDerWaalsContact O-CB 3.22Å; F791-S795 WeakPolarHBondContact O-CB 3.3Å; F791-S795 PolarHBondContact O-N 3.15Å; F791-S795 PolarHBondContact O-OG 3.32Å; F792-S795 PolarHBondContact O-N 2.92Å; A793-S795 VanDerWaalsContact C-N 3.29Å; A793-S795 PolarHBondContact O-N 3.3Å
796	L	93.7	Very high	92.1	Very high	25 Å²	25	35.3 Å²	35.3	13%	0.131	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	6.7	175.4	-69.8	167.7	0	0	0	113.4	L540 F541 S544 P705 F792 A793 V794 L798	L540-L796 HydrophobicContact CB-CD1 4.27Å; L540-L796 HydrophobicContact CD2-CD1 3.49Å; L540-L796 VanDerWaalsContact CD2-CD1 3.49Å; L540-L796 HydrophobicContact CG-CD1 3.54Å; F541-L796 HydrophobicContact CD1-CD1 3.63Å; F541-L796 HydrophobicContact CD1-CD2 3.92Å; F541-L796 HydrophobicContact CD1-CG 4.45Å; F541-L796 HydrophobicContact CE1-CD1 3.74Å; F541-L796 HydrophobicContact CE1-CD2 4.1Å; S544-L796 WeakPolarHBondContact CB-O 3.46Å; P705-L796 HydrophobicContact CB-CD2 3.54Å; P705-L796 HydrophobicContact CB-CG 4.47Å; P705-L796 HydrophobicContact CG-CD2 4.21Å; F792-L796 PolarHBondContact O-N 3.24Å; A793-L796 CarbonylContact O-C 3.55Å; A793-L796 PolarHBondContact O-N 3.15Å; A793-L796 VanDerWaalsContact O-N 3.08Å; V794-L796 PolarHBondContact O-N 3.16Å; L796-L798 HydrophobicContact CB-CD1 3.69Å
797	G	91.4	Very high	91.8	Very high	11 Å²	11	35.7 Å²	35.7	11%	0.113	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	16.1	177.5	0	0	0	0	0	115.1	A793 V794 Y799	A793-G797 PolarHBondContact O-N 2.9Å; V794-G797 PolarHBondContact O-N 3.37Å; G797-Y799 WeakPolarHBondContact O-CE2 3.4Å
798	L	92.3	Very high	91.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.191	C	C	.	.			trans	-98.8	114.4	172.2	-61	92.7	0	0	0	110	L540 D543 A793 V794 L796	L540-L798 HydrophobicContact CD1-CD1 3.78Å; L540-L798 HydrophobicContact CD1-CD2 3.74Å; L540-L798 HydrophobicContact CD1-CG 4.3Å; L540-L798 HydrophobicContact CG-CD1 4.31Å; D543-L798 HydrophobicContact CB-CD2 4.03Å; A793-L798 CarbonylContact C-O 3.55Å; A793-L798 HydrophobicContact CB-CB 4.08Å; A793-L798 WeakPolarHBondContact CB-O 3.48Å; A793-L798 WeakPolarHBondContact O-CA 3.49Å; A793-L798 WeakPolarHBondContact O-CB 3.46Å; A793-L798 PolarHBondContact O-N 3.44Å; V794-L798 WeakPolarHBondContact CA-O 3.35Å; V794-L798 PolarHBondContact N-O 3.27Å; L796-L798 HydrophobicContact CB-CD1 3.69Å
799	Y	91.1	Very high	90.7	Very high	193 Å²	193	39.1 Å²	39.1	76%	0.757	22%	0.215	S	C	*	.			trans	-97.8	10.1	-173.5	-58.8	-77.4	0	0	0	114.6	V794 G797	V794-Y799 HydrophobicContact CG1-CD1 4.39Å; V794-Y799 HydrophobicContact CG1-CE1 4.19Å; V794-Y799 HydrophobicContact CG2-CD1 4.27Å; G797-Y799 WeakPolarHBondContact O-CE2 3.4Å
800	S	89.3	Confident	90.2	Very high	69 Å²	69	42.6 Å²	42.6	48%	0.483	23%	0.232	S	C	.	.			trans	-133.2	138.9	177	61.5	0	0	0	0	110	H550	H550-S800 PolarHBondContact CE1-O 3.01Å; H550-S800 PolarHBondContact ND1-O 2.9Å
801	L	90.7	Very high	89.8	Confident	44 Å²	44	41.7 Å²	41.7	23%	0.23	22%	0.224	C	C	.	.			trans	-116.3	125.4	177.5	-171.9	71.1	0	0	0	110.8	W536 L786 R789 A790 V805 A806	W536-L801 HydrophobicContact CZ2-CD1 4.14Å; L786-L801 HydrophobicContact CD1-CD2 3.88Å; R789-L801 HydrophobicContact CB-CD1 3.87Å; R789-L801 HydrophobicContact CB-CD2 3.79Å; R789-L801 HydrophobicContact CB-CG 4.49Å; A790-L801 HydrophobicContact CB-CD2 4.36Å; L801-V805 HydrophobicContact CD1-CG2 3.78Å; L801-V805 HydrophobicContact CG-CG2 4.09Å; L801-A806 HydrophobicContact CD2-CB 4.14Å
802	P	90.5	Very high	89.5	Confident	33 Å²	33	42.6 Å²	42.6	21%	0.214	23%	0.229	C	C	.	.			trans	-63.8	142	176.4	-20	30.5	0	0	0	112.4	H550 L560 S804 V805 A806	H550-P802 HydrophobicContact CB-CG 3.54Å; H550-P802 VanDerWaalsContact CG-CD 3.5Å; L560-P802 HydrophobicContact CD1-CG 4.09Å; L560-P802 HydrophobicContact CD2-CB 4.25Å; L560-P802 HydrophobicContact CD2-CG 4.09Å; P802-S804 VanDerWaalsContact C-N 3.27Å; P802-S804 PolarHBondContact O-N 3.47Å; P802-V805 HydrophobicContact CB-CG2 4.08Å; P802-V805 HydrophobicContact CG-CG2 4.23Å; P802-V805 WeakPolarHBondContact O-CG2 3.38Å; P802-V805 PolarHBondContact O-N 3.43Å; P802-A806 PolarHBondContact O-N 2.84Å; P802-A806 VanDerWaalsContact O-N 3.15Å
803	K	84.5	Confident	89.2	Confident	145 Å²	145	43 Å²	43	63%	0.63	23%	0.231	S	C	*	.	H	α-helix	trans	-59.6	-36.3	178.8	-176.4	-176.8	174.9	-173	0	112.6	V805 A806	K803-V805 PolarHBondContact O-N 2.93Å; K803-A806 PolarHBondContact O-N 3.35Å; K803-A806 VanDerWaalsContact O-N 3.16Å
804	S	83.6	Confident	89	Confident	82 Å²	82	43 Å²	43	57%	0.573	23%	0.23	S	C	*	.	H	α-helix	trans	-61.3	-27	-178.5	53.2	0	0	0	0	113.3	P802	P802-S804 VanDerWaalsContact C-N 3.27Å; P802-S804 PolarHBondContact O-N 3.47Å
805	V	88.5	Confident	88.7	Confident	10 Å²	10	45 Å²	45	6%	0.061	23%	0.234	C	C	.	.	H	α-helix	trans	-101.2	-16.7	176.7	-62.6	0	0	0	0	112.4	L560 R789 L801 P802 K803 F807	L560-V805 HydrophobicContact CD2-CG1 3.51Å; R789-V805 WeakPolarHBondContact CD-O 3.48Å; R789-V805 PolarHBondContact NE-O 3.05Å; R789-V805 VanDerWaalsContact NH1-C 3.3Å; R789-V805 PolarHBondContact NH1-O 2.85Å; L801-V805 HydrophobicContact CD1-CG2 3.78Å; L801-V805 HydrophobicContact CG-CG2 4.09Å; P802-V805 HydrophobicContact CB-CG2 4.08Å; P802-V805 HydrophobicContact CG-CG2 4.23Å; P802-V805 WeakPolarHBondContact O-CG2 3.38Å; P802-V805 PolarHBondContact O-N 3.43Å; K803-V805 PolarHBondContact O-N 2.93Å; V805-F807 VanDerWaalsContact C-N 3.27Å; V805-F807 PolarHBondContact O-N 2.88Å; V805-F807 VanDerWaalsContact O-N 3.16Å
806	A	87.1	Confident	88.2	Confident	5 Å²	5	44.2 Å²	44.2	4%	0.041	23%	0.228	C	C	.	.	H	α-helix	trans	-59.3	-34.5	-172.1	0	0	0	0	0	114.6	N785 L786 L801 P802 K803	N785-A806 PolarHBondContact ND2-O 3.45Å; L786-A806 VanDerWaalsContact CA-O 3.25Å; L786-A806 WeakPolarHBondContact CA-O 3.43Å; L786-A806 HydrophobicContact CD1-CB 3.85Å; L786-A806 PolarHBondContact N-O 3.44Å; L801-A806 HydrophobicContact CD2-CB 4.14Å; P802-A806 PolarHBondContact O-N 2.84Å; P802-A806 VanDerWaalsContact O-N 3.15Å; K803-A806 PolarHBondContact O-N 3.35Å; K803-A806 VanDerWaalsContact O-N 3.16Å
807	F	86.5	Confident	87.8	Confident	29 Å²	29	43 Å²	43	13%	0.127	22%	0.222	C	C	.	.	S	Bend	trans	-123.5	155.8	-172.3	-60.7	-76.6	0	0	0	110.7	Q782 L786 V805 K842	Q782-F807 HydrophobicContact CB-CD1 4.25Å; L786-F807 HydrophobicContact CB-CE1 4.36Å; L786-F807 HydrophobicContact CD2-CE1 4.24Å; L786-F807 HydrophobicContact CD2-CZ 4.15Å; V805-F807 VanDerWaalsContact C-N 3.27Å; V805-F807 PolarHBondContact O-N 2.88Å; V805-F807 VanDerWaalsContact O-N 3.16Å; F807-K842 HydrophobicContact CD1-CD 4.01Å; F807-K842 HydrophobicContact CD2-CD 3.94Å; F807-K842 HydrophobicContact CE1-CD 4.11Å; F807-K842 HydrophobicContact CE2-CD 4.07Å; F807-K842 HydrophobicContact CG-CD 3.92Å; F807-K842 HydrophobicContact CZ-CD 4.14Å; F807-K842 VanDerWaalsContact CZ-NZ 3.29Å
808	F	85.9	Confident	87.2	Confident	9 Å²	9	43.5 Å²	43.5	4%	0.039	22%	0.22	C	C	.	.			trans	-60.1	142.2	164.4	-67.6	-74	0	0	0	109.9	S528 D529 V530 M740 L781 Q782 N785 Q810 M811	S528-F808 VanDerWaalsContact OG-CD1 3.24Å; S528-F808 WeakPolarHBondContact OG-CD1 3.48Å; S528-F808 WeakPolarHBondContact OG-CG 3.45Å; D529-F808 WeakPolarHBondContact O-CD1 3.17Å; V530-F808 HydrophobicContact CB-CE1 4.23Å; V530-F808 HydrophobicContact CG2-CE1 3.54Å; V530-F808 HydrophobicContact CG2-CZ 4.04Å; M740-F808 HydrophobicContact CE-CE2 4.39Å; M740-F808 HydrophobicContact CE-CZ 3.65Å; L781-F808 HydrophobicContact CD2-CE2 4.49Å; L781-F808 HydrophobicContact CG-CE2 3.87Å; L781-F808 WeakPolarHBondContact O-CE2 3.4Å; Q782-F808 PolarHBondContact NE2-O 3.48Å; Q782-F808 VanDerWaalsContact NE2-O 3.14Å; N785-F808 HydrophobicContact CB-CD2 3.82Å; N785-F808 HydrophobicContact CB-CE1 4.43Å; N785-F808 HydrophobicContact CB-CE2 3.29Å; N785-F808 HydrophobicContact CB-CZ 3.63Å; F808-Q810 VanDerWaalsContact C-N 3.3Å; F808-Q810 PolarHBondContact O-N 3.49Å; F808-M811 HydrophobicContact CB-SD 4.39Å; F808-M811 HydrophobicContact CD2-SD 3.85Å; F808-M811 HydrophobicContact CG-SD 4.34Å
809	S	82	Confident	86.2	Confident	72 Å²	72	49.3 Å²	49.3	50%	0.503	25%	0.246	S	C	.	.	S	Bend	trans	-56.7	-46.8	173.4	48.8	0	0	0	0	111	D531	D531-S809 WeakPolarHBondContact OD2-CB 3.48Å; D531-S809 PolarHBondContact OD2-OG 3.24Å
810	Q	82.8	Confident	85.3	Confident	84 Å²	84	41.5 Å²	41.5	39%	0.393	22%	0.219	S	C	.	.			trans	-144.7	144.3	177.8	-61.5	-174.3	5.3	0	0	111.7	S528 F808 N839	S528-Q810 WeakPolarHBondContact CB-O 3.35Å; S528-Q810 PolarHBondContact OG-O 2.98Å; F808-Q810 VanDerWaalsContact C-N 3.3Å; F808-Q810 PolarHBondContact O-N 3.49Å; Q810-N839 PolarHBondContact OE1-ND2 3.31Å
811	M	87.5	Confident	84.4	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	127.4	169.2	-73.8	-63.2	-47.3	0	0	109.7	V526 A778 L781 Q782 F808 N839 C840 L845	V526-M811 HydrophobicContact CG1-CE 3.67Å; A778-M811 HydrophobicContact CB-CB 4.32Å; A778-M811 HydrophobicContact CB-CE 3.97Å; A778-M811 HydrophobicContact CB-CG 4.41Å; L781-M811 HydrophobicContact CB-CE 3.93Å; L781-M811 HydrophobicContact CB-SD 4.29Å; L781-M811 HydrophobicContact CD2-CE 3.6Å; L781-M811 HydrophobicContact CD2-SD 4.19Å; L781-M811 HydrophobicContact CG-CE 4.2Å; L781-M811 HydrophobicContact CG-SD 4.4Å; Q782-M811 HydrophobicContact CG-CG 3.64Å; Q782-M811 HydrophobicContact CG-SD 3.98Å; F808-M811 HydrophobicContact CB-SD 4.39Å; F808-M811 HydrophobicContact CD2-SD 3.85Å; F808-M811 HydrophobicContact CG-SD 4.34Å; M811-N839 WeakPolarHBondContact O-CA 3.48Å; M811-C840 WeakPolarHBondContact CB-O 3.26Å; M811-C840 PolarHBondContact N-O 3.18Å; M811-C840 PolarHBondContact O-N 3.06Å; M811-L845 HydrophobicContact CB-CD1 4.48Å; M811-L845 HydrophobicContact CG-CD1 4.25Å
812	E	89.6	Confident	83.3	Confident	23 Å²	23	44 Å²	44	11%	0.107	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	127.4	-179.3	-59.6	-166.6	169.4	0	0	110.6	V526 G527 R766 V821	V526-E812 WeakPolarHBondContact CA-O 3.4Å; G527-E812 PolarHBondContact N-O 3.24Å; G527-E812 VanDerWaalsContact N-O 3.07Å; G527-E812 PolarHBondContact O-N 3.41Å; R766-E812 IonicContact CZ-OE2 3Å; R766-E812 IonicContact NH1-OE2 3.26Å; R766-E812 PolarHBondContact NH1-OE2 3.22Å; R766-E812 IonicContact NH2-OE2 3.44Å; R766-E812 PolarHBondContact NH2-OE2 3.38Å; E812-V821 HydrophobicContact CB-CG2 4.28Å; E812-V821 HydrophobicContact CG-CG2 4.46Å
813	I	91.1	Very high	81.9	Confident	8 Å²	8	44.6 Å²	44.6	4%	0.041	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	112.2	176	-54.6	179.8	0	0	0	108.6	R524 F525 V526 K774 Y775 A778 G837 R838	R524-I813 HydrophobicContact CB-CG2 4.02Å; R524-I813 HydrophobicContact CG-CG2 4.25Å; F525-I813 VanDerWaalsContact O-CA 3.3Å; F525-I813 WeakPolarHBondContact O-CA 3.32Å; V526-I813 HydrophobicContact CG2-CG1 4.35Å; V526-I813 HydrophobicContact CG2-CG2 4.49Å; K774-I813 HydrophobicContact CB-CG2 4.19Å; K774-I813 HydrophobicContact CD-CG2 3.93Å; K774-I813 HydrophobicContact CG-CD1 4.5Å; K774-I813 HydrophobicContact CG-CG2 4.26Å; Y775-I813 HydrophobicContact CD1-CD1 3.61Å; Y775-I813 HydrophobicContact CE1-CD1 3.79Å; A778-I813 HydrophobicContact CB-CD1 4.06Å; I813-G837 CarbonylContact O-C 3.48Å; I813-G837 WeakPolarHBondContact O-CA 3.18Å; I813-R838 PolarHBondContact N-O 3.34Å; I813-R838 PolarHBondContact O-N 2.81Å
814	D	90.6	Very high	80.4	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	162.3	-172.8	-151.8	-18	0	0	0	112.9	R524 F525 V816 R818	R524-D814 CarbonylContact C-O 3.57Å; R524-D814 WeakPolarHBondContact CA-O 3.25Å; F525-D814 PolarHBondContact N-O 3.33Å; F525-D814 PolarHBondContact O-N 2.93Å; D814-V816 WeakPolarHBondContact CB-O 3.39Å; D814-V816 PolarHBondContact OD1-N 3.39Å; D814-R818 IonicContact OD1-NH2 2.95Å; D814-R818 PolarHBondContact OD1-NH2 3.33Å; D814-R818 IonicContact OD2-CZ 2.79Å; D814-R818 IonicContact OD2-NE 3.43Å; D814-R818 PolarHBondContact OD2-NE 3.31Å; D814-R818 IonicContact OD2-NH2 3.67Å; D814-R818 PolarHBondContact OD2-NH2 3.05Å
815	R	88.5	Confident	79	Confident	77 Å²	77	43.4 Å²	43.4	29%	0.291	22%	0.219	S	C	.	.	S	Bend	trans	-83.3	-24.1	166	-99.8	174.4	-170.5	-161.7	4.9	112.5	K518 A519 L835	K518-R815 CarbonylContact C-O 3.59Å; K518-R815 VanDerWaalsContact CA-O 3.29Å; K518-R815 WeakPolarHBondContact CA-O 3.45Å; A519-R815 PolarHBondContact N-O 3.29Å; R815-L835 HydrophobicContact CB-CD2 3.93Å
816	V	86.3	Confident	77.2	Confident	8 Å²	8	46 Å²	46	5%	0.048	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-115.4	144.2	-175.9	-174.9	0	0	0	0	109.9	G515 I517 K518 D814 R818 L835	G515-V816 VanDerWaalsContact O-CG1 3.25Å; G515-V816 WeakPolarHBondContact O-CG1 3.22Å; I517-V816 WeakPolarHBondContact O-CA 3.13Å; K518-V816 HydrophobicContact CG-CG2 4.18Å; D814-V816 WeakPolarHBondContact CB-O 3.39Å; D814-V816 PolarHBondContact OD1-N 3.39Å; V816-R818 PolarHBondContact O-N 2.75Å; V816-L835 HydrophobicContact CG2-CD1 3.72Å; V816-L835 HydrophobicContact CG2-CD2 3.77Å; V816-L835 HydrophobicContact CG2-CG 4.3Å
817	L	84.9	Confident	75.2	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.005	23%	0.233	C	C	.	.			trans	-78.5	111	170.7	-170.8	70	0	0	0	109.4	L323 K514 I517 F525 I759 R766	L323-L817 HydrophobicContact CD2-CD2 4.32Å; K514-L817 CarbonylContact C-O 3.52Å; K514-L817 VanDerWaalsContact CB-O 3.25Å; K514-L817 WeakPolarHBondContact CB-O 3.47Å; I517-L817 HydrophobicContact CB-CB 3.87Å; I517-L817 HydrophobicContact CB-CD2 4.26Å; I517-L817 HydrophobicContact CG2-CB 3.83Å; I517-L817 HydrophobicContact CG2-CD2 4.06Å; I517-L817 PolarHBondContact O-N 3.25Å; F525-L817 HydrophobicContact CE2-CB 4.32Å; I759-L817 HydrophobicContact CG2-CD2 4.45Å; R766-L817 HydrophobicContact CB-CD1 4.37Å; R766-L817 HydrophobicContact CG-CD1 3.76Å
818	R	78.6	Confident	73.1	Confident	21 Å²	21	52.9 Å²	52.9	8%	0.079	27%	0.269	C	S	.	.			trans	-150.7	162.9	175.4	53.2	-178.3	162.7	-179.8	-4.1	110.2	R766 D814 V816 S820 V821 S823 L835	R766-R818 PolarHBondContact NH2-O 3.4Å; R766-R818 VanDerWaalsContact NH2-O 3.16Å; D814-R818 IonicContact OD1-NH2 2.95Å; D814-R818 PolarHBondContact OD1-NH2 3.33Å; D814-R818 IonicContact OD2-CZ 2.79Å; D814-R818 IonicContact OD2-NE 3.43Å; D814-R818 PolarHBondContact OD2-NE 3.31Å; D814-R818 IonicContact OD2-NH2 3.67Å; D814-R818 PolarHBondContact OD2-NH2 3.05Å; V816-R818 PolarHBondContact O-N 2.75Å; R818-S820 WeakPolarHBondContact CD-O 3.45Å; R818-S820 WeakPolarHBondContact CG-O 3.3Å; R818-V821 VanDerWaalsContact CZ-O 3.28Å; R818-V821 PolarHBondContact NH1-O 2.7Å; R818-S823 PolarHBondContact NH1-O 3.19Å; R818-L835 PolarHBondContact NH2-O 3.27Å
819	K	70.6	Confident	71	Confident	122 Å²	122	56.1 Å²	56.1	53%	0.53	29%	0.287	S	S	.	.	S	Bend	trans	-65.5	-39.6	-175	-165.7	-164.1	-176	172.1	0	113.1	N501	N501-K819 WeakPolarHBondContact ND2-CD 3.26Å
820	S	73.3	Confident	69.1	Low	29 Å²	29	53.8 Å²	53.8	20%	0.203	27%	0.27	C	S	.	.			trans	-142	142.6	175.6	162.9	0	0	0	0	108.4	R818 E822 S823	R818-S820 WeakPolarHBondContact CD-O 3.45Å; R818-S820 WeakPolarHBondContact CG-O 3.3Å; S820-E822 PolarHBondContact O-N 3.23Å; S820-E822 PolarHBondContact OG-N 3.31Å; S820-S823 VanDerWaalsContact O-CB 3.24Å; S820-S823 WeakPolarHBondContact O-CB 3.47Å; S820-S823 PolarHBondContact O-N 3.24Å; S820-S823 PolarHBondContact O-OG 3.25Å; S820-S823 VanDerWaalsContact O-OG 3.06Å
821	V	70.5	Confident	66.6	Low	16 Å²	16	57.6 Å²	57.6	10%	0.097	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-31.3	177.7	176.7	0	0	0	0	112.5	E812 R818 S823 G837 N839	E812-V821 HydrophobicContact CB-CG2 4.28Å; E812-V821 HydrophobicContact CG-CG2 4.46Å; R818-V821 VanDerWaalsContact CZ-O 3.28Å; R818-V821 PolarHBondContact NH1-O 2.7Å; V821-S823 PolarHBondContact O-N 3.18Å; V821-G837 VanDerWaalsContact CG1-CA 3.43Å; V821-G837 WeakPolarHBondContact CG1-O 3.39Å; V821-N839 WeakPolarHBondContact CG2-OD1 3.41Å
822	E	67.2	Low	64.2	Low	149 Å²	149	61 Å²	61	70%	0.696	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-6.1	-179.8	-63.5	166.7	-172	0	0	112.7	S820 D824	S820-E822 PolarHBondContact O-N 3.23Å; S820-E822 PolarHBondContact OG-N 3.31Å; E822-D824 PolarHBondContact O-N 3.07Å
823	S	61.5	Low	61.6	Low	46 Å²	46	63.5 Å²	63.5	32%	0.322	34%	0.343	S	S	.	.			trans	-74.8	98.9	177	-50.5	0	0	0	0	108.8	R818 S820 V821 F825	R818-S823 PolarHBondContact NH1-O 3.19Å; S820-S823 VanDerWaalsContact O-CB 3.24Å; S820-S823 WeakPolarHBondContact O-CB 3.47Å; S820-S823 PolarHBondContact O-N 3.24Å; S820-S823 PolarHBondContact O-OG 3.25Å; S820-S823 VanDerWaalsContact O-OG 3.06Å; V821-S823 PolarHBondContact O-N 3.18Å; S823-F825 PolarHBondContact O-N 3.2Å
824	D	51.8	Low	59.2	Low	135 Å²	135	69.2 Å²	69.2	72%	0.722	38%	0.379	S	S	*	.			trans	-73.2	57.7	172.3	-76.1	-22.5	0	0	0	111	E822	E822-D824 PolarHBondContact O-N 3.07Å
825	F	54.5	Low	57.3	Low	66 Å²	66	70.4 Å²	70.4	29%	0.289	39%	0.385	S	S	.	.			trans	-117.8	96.1	168.8	-86.3	-86.5	0	0	0	107.7	P502 V504 V507 E512 S823	P502-F825 HydrophobicContact CB-CD1 4.41Å; P502-F825 HydrophobicContact CG-CB 3.99Å; P502-F825 HydrophobicContact CG-CD1 4.42Å; P502-F825 HydrophobicContact CG-CG 4.09Å; V504-F825 HydrophobicContact CG2-CE2 4.15Å; V507-F825 HydrophobicContact CG2-CE1 4.23Å; E512-F825 WeakPolarHBondContact OE1-CD1 3.44Å; S823-F825 PolarHBondContact O-N 3.2Å
826	I	50	Low	55.7	Low	66 Å²	66	72.8 Å²	72.8	34%	0.338	40%	0.402	S	S	.	.			trans	-112.8	131.6	175	-53.7	171.1	0	0	0	105.1	L828 T830 L835	I826-L828 PolarHBondContact O-N 3.48Å; I826-T830 HydrophobicContact CG2-CG2 4.02Å; I826-T830 WeakPolarHBondContact CG2-OG1 3.5Å; I826-L835 HydrophobicContact CD1-CD1 4.07Å; I826-L835 HydrophobicContact CG1-CD1 4.24Å; I826-L835 HydrophobicContact CG2-CD1 4.16Å
827	P	46.4	Very low	54.2	Low	10 Å²	10	73 Å²	73	7%	0.065	41%	0.405	C	S	.	.			trans	-49.7	133.5	173.8	-24.7	32	0	0	0	110.4	Y332 L516 D829 T830	Y332-P827 HydrophobicContact CD2-CB 4.44Å; L516-P827 HydrophobicContact CD2-CB 4.49Å; L516-P827 HydrophobicContact CD2-CG 3.91Å; P827-D829 PolarHBondContact O-N 3.36Å; P827-T830 PolarHBondContact O-N 3.25Å; P827-T830 PolarHBondContact O-OG1 3.24Å
828	L	41.8	Very low	53.6	Low	168 Å²	168	78.6 Å²	78.6	88%	0.88	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.2	-21.9	-173.2	-94.5	142.8	0	0	0	115.1	I826	I826-L828 PolarHBondContact O-N 3.48Å
829	D	41.8	Very low	53.3	Low	76 Å²	76	79 Å²	79	41%	0.406	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	1.1	-176.3	27.4	-28.3	0	0	0	113.8	P827 I831	P827-D829 PolarHBondContact O-N 3.36Å; D829-I831 VanDerWaalsContact C-N 3.33Å; D829-I831 PolarHBondContact O-N 3.31Å
830	T	41.2	Very low	53.3	Low	23 Å²	23	73.3 Å²	73.3	14%	0.141	41%	0.406	C	S	.	.			trans	-95.4	49.2	177.2	-29.3	0	0	0	0	112.1	I826 P827 G832	I826-T830 HydrophobicContact CG2-CG2 4.02Å; I826-T830 WeakPolarHBondContact CG2-OG1 3.5Å; P827-T830 PolarHBondContact O-N 3.25Å; P827-T830 PolarHBondContact O-OG1 3.24Å; T830-G832 PolarHBondContact O-N 3.01Å
831	I	31	Very low	53.4	Low	164 Å²	164	74.2 Å²	74.2	84%	0.841	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	107.1	174	-57.2	174.3	0	0	0	107.7	D829	D829-I831 VanDerWaalsContact C-N 3.33Å; D829-I831 PolarHBondContact O-N 3.31Å
832	G	36.5	Very low	53.3	Low	73 Å²	73	74.4 Å²	74.4	75%	0.753	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	136.5	2.9	162.8	0	0	0	0	0	118.7	T830	T830-G832 PolarHBondContact O-N 3.01Å
833	T	36.3	Very low	53.4	Low	74 Å²	74	71.2 Å²	71.2	45%	0.454	40%	0.395	S	S	.	.			trans	-119.8	117.6	169.3	38.9	0	0	0	0	110.8	L835	T833-L835 VanDerWaalsContact C-N 3.3Å; T833-L835 PolarHBondContact O-N 2.71Å
834	T	39.9	Very low	54	Low	128 Å²	128	72.5 Å²	72.5	79%	0.785	40%	0.396	S	S	*	.			trans	-62.7	92.8	170	-14.9	0	0	0	0	107.9	I836	T834-I836 HydrophobicContact CG2-CD1 4.13Å; T834-I836 HydrophobicContact CG2-CG1 4.02Å; T834-I836 PolarHBondContact O-N 3.01Å
835	L	50.8	Low	54.8	Low	27 Å²	27	66 Å²	66	14%	0.141	36%	0.361	C	S	.	.			trans	-80	70.7	179.9	-74.1	169.8	0	0	0	109.5	R815 V816 R818 I826 T833 G837	R815-L835 HydrophobicContact CB-CD2 3.93Å; V816-L835 HydrophobicContact CG2-CD1 3.72Å; V816-L835 HydrophobicContact CG2-CD2 3.77Å; V816-L835 HydrophobicContact CG2-CG 4.3Å; R818-L835 PolarHBondContact NH2-O 3.27Å; I826-L835 HydrophobicContact CD1-CD1 4.07Å; I826-L835 HydrophobicContact CG1-CD1 4.24Å; I826-L835 HydrophobicContact CG2-CD1 4.16Å; T833-L835 VanDerWaalsContact C-N 3.3Å; T833-L835 PolarHBondContact O-N 2.71Å; L835-G837 PolarHBondContact O-N 3.02Å; L835-G837 VanDerWaalsContact O-N 3.13Å
836	I	55.3	Low	55.3	Low	127 Å²	127	63.8 Å²	63.8	65%	0.651	35%	0.352	S	S	*	.			trans	-80.8	91.6	175.5	-49.4	174	0	0	0	107.3	T834	T834-I836 HydrophobicContact CG2-CD1 4.13Å; T834-I836 HydrophobicContact CG2-CG1 4.02Å; T834-I836 PolarHBondContact O-N 3.01Å
837	G	54.9	Low	56.1	Low	11 Å²	11	67.7 Å²	67.7	11%	0.113	37%	0.367	C	S	.	.			trans	-77.3	169.1	158.7	0	0	0	0	0	109.7	I813 V821 L835	I813-G837 CarbonylContact O-C 3.48Å; I813-G837 WeakPolarHBondContact O-CA 3.18Å; V821-G837 VanDerWaalsContact CG1-CA 3.43Å; V821-G837 WeakPolarHBondContact CG1-O 3.39Å; L835-G837 PolarHBondContact O-N 3.02Å; L835-G837 VanDerWaalsContact O-N 3.13Å
838	R	71.6	Confident	56.9	Low	120 Å²	120	69.6 Å²	69.6	45%	0.453	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	131.4	177.9	-172	175.1	177.8	155.9	1.8	110.9	I813 E844	I813-R838 PolarHBondContact N-O 3.34Å; I813-R838 PolarHBondContact O-N 2.81Å; R838-E844 IonicContact NH2-OE1 3.82Å
839	N	73	Confident	57.1	Low	30 Å²	30	71.9 Å²	71.9	16%	0.16	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	129.5	162.8	-68.2	-22.7	0	0	0	108.4	Q810 M811 V821	Q810-N839 PolarHBondContact OE1-ND2 3.31Å; M811-N839 WeakPolarHBondContact O-CA 3.48Å; V821-N839 WeakPolarHBondContact CG2-OD1 3.41Å
840	C	71	Confident	57.4	Low	1 Å²	1	77.9 Å²	77.9	1%	0.007	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	126	178.1	-59.5	0	0	0	0	109.5	M811 L845	M811-C840 WeakPolarHBondContact CB-O 3.26Å; M811-C840 PolarHBondContact N-O 3.18Å; M811-C840 PolarHBondContact O-N 3.06Å; C840-L845 HydrophobicContact CB-CD1 4.5Å; C840-L845 HydrophobicContact CB-CD2 3.86Å; C840-L845 HydrophobicContact CB-CG 3.94Å
841	T	74.1	Confident	57.9	Low	49 Å²	49	77 Å²	77	30%	0.301	38%	0.384	S	S	.	.			trans	-76.9	163	166.2	61.3	0	0	0	0	110.5	E843 E844 L845	T841-E843 VanDerWaalsContact C-N 3.32Å; T841-E843 PolarHBondContact O-N 3.39Å; T841-E844 WeakPolarHBondContact CB-OE2 3.07Å; T841-E844 PolarHBondContact N-OE2 2.97Å; T841-E844 PolarHBondContact O-N 3.05Å; T841-E844 WeakPolarHBondContact OG1-CB 3.38Å; T841-E844 WeakPolarHBondContact OG1-CG 3.39Å; T841-E844 PolarHBondContact OG1-N 3.11Å; T841-E844 PolarHBondContact OG1-OE2 2.95Å; T841-L845 WeakPolarHBondContact O-CG 3.44Å; T841-L845 PolarHBondContact O-N 3.48Å
842	K	69.3	Low	58.7	Low	19 Å²	19	70.9 Å²	70.9	8%	0.083	35%	0.354	C	S	.	.	H	α-helix	trans	-56.5	-46.1	174	164.4	-171.9	168.9	-178.1	0	112	M44 F807 E844 L845 L846	M44-K842 VanDerWaalsContact CE-NZ 3.27Å; M44-K842 WeakPolarHBondContact SD-CE 3.42Å; M44-K842 PolarHBondContact SD-NZ 3.12Å; M44-K842 VanDerWaalsContact SD-NZ 3.39Å; F807-K842 HydrophobicContact CD1-CD 4.01Å; F807-K842 HydrophobicContact CD2-CD 3.94Å; F807-K842 HydrophobicContact CE1-CD 4.11Å; F807-K842 HydrophobicContact CE2-CD 4.07Å; F807-K842 HydrophobicContact CG-CD 3.92Å; F807-K842 HydrophobicContact CZ-CD 4.14Å; F807-K842 VanDerWaalsContact CZ-NZ 3.29Å; K842-E844 VanDerWaalsContact C-N 3.3Å; K842-E844 PolarHBondContact O-N 3.17Å; K842-L845 PolarHBondContact O-N 3.48Å; K842-L846 HydrophobicContact CG-CD1 4.12Å; K842-L846 WeakPolarHBondContact O-CG 3.33Å; K842-L846 PolarHBondContact O-N 2.78Å
843	E	69.4	Low	59.1	Low	82 Å²	82	72.6 Å²	72.6	38%	0.383	34%	0.343	S	S	.	.	H	α-helix	trans	-63.5	-38.5	-178.6	-70.9	70.2	-157.4	0	0	111.1	T841 K847	T841-E843 VanDerWaalsContact C-N 3.32Å; T841-E843 PolarHBondContact O-N 3.39Å; E843-K847 WeakPolarHBondContact O-CG 3.42Å; E843-K847 PolarHBondContact O-N 3.46Å
844	E	72.8	Confident	59.6	Low	73 Å²	73	72.5 Å²	72.5	34%	0.341	34%	0.342	S	S	.	.	H	α-helix	trans	-66.8	-43	174.1	-73.2	172	122.1	0	0	112.4	R838 T841 K842 L846 K847 L848	R838-E844 IonicContact NH2-OE1 3.82Å; T841-E844 WeakPolarHBondContact CB-OE2 3.07Å; T841-E844 PolarHBondContact N-OE2 2.97Å; T841-E844 PolarHBondContact O-N 3.05Å; T841-E844 WeakPolarHBondContact OG1-CB 3.38Å; T841-E844 WeakPolarHBondContact OG1-CG 3.39Å; T841-E844 PolarHBondContact OG1-N 3.11Å; T841-E844 PolarHBondContact OG1-OE2 2.95Å; K842-E844 VanDerWaalsContact C-N 3.3Å; K842-E844 PolarHBondContact O-N 3.17Å; E844-L846 VanDerWaalsContact C-N 3.32Å; E844-L846 PolarHBondContact O-N 2.82Å; E844-K847 PolarHBondContact O-N 3.08Å; E844-L848 PolarHBondContact O-N 2.6Å
845	L	69.1	Low	60	Low	0 Å²	0	66.7 Å²	66.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-57.8	-47.6	177	-72.2	171.4	0	0	0	110.5	Y775 A778 Q782 M811 C840 T841 K842 K847 L848 I851	Y775-L845 HydrophobicContact CD1-CD2 3.8Å; Y775-L845 HydrophobicContact CG-CD2 4.48Å; A778-L845 HydrophobicContact CB-CD1 3.88Å; A778-L845 HydrophobicContact CB-CD2 3.97Å; Q782-L845 HydrophobicContact CG-CD1 4.5Å; M811-L845 HydrophobicContact CB-CD1 4.48Å; M811-L845 HydrophobicContact CG-CD1 4.25Å; C840-L845 HydrophobicContact CB-CD1 4.5Å; C840-L845 HydrophobicContact CB-CD2 3.86Å; C840-L845 HydrophobicContact CB-CG 3.94Å; T841-L845 WeakPolarHBondContact O-CG 3.44Å; T841-L845 PolarHBondContact O-N 3.48Å; K842-L845 PolarHBondContact O-N 3.48Å; L845-K847 VanDerWaalsContact C-N 3.26Å; L845-K847 PolarHBondContact O-N 2.86Å; L845-L848 HydrophobicContact CD2-CD1 4.36Å; L845-L848 WeakPolarHBondContact O-CB 3.48Å; L845-L848 PolarHBondContact O-N 3.25Å; L845-L848 VanDerWaalsContact O-N 3.1Å; L845-I851 HydrophobicContact CB-CD1 4.24Å; L845-I851 HydrophobicContact CD2-CD1 4.34Å; L845-I851 WeakPolarHBondContact O-CD1 3.27Å
846	L	64.8	Low	59.6	Low	19 Å²	19	68.1 Å²	68.1	10%	0.099	32%	0.318	C	S	.	.	H	α-helix	trans	-64.9	-27.8	-179.4	-69.3	168.6	0	0	0	113.7	L39 M44 L779 K842 E844 L848	L39-L846 HydrophobicContact CD1-CB 4.16Å; L39-L846 HydrophobicContact CD1-CD1 4.32Å; L39-L846 HydrophobicContact CD2-CD1 4.44Å; M44-L846 HydrophobicContact CE-CD1 3.61Å; M44-L846 HydrophobicContact CG-CD1 3.96Å; M44-L846 HydrophobicContact CG-CD2 4.43Å; M44-L846 HydrophobicContact SD-CD1 4.09Å; L779-L846 HydrophobicContact CD1-CD2 4.18Å; L779-L846 HydrophobicContact CD1-CG 4.48Å; L779-L846 HydrophobicContact CD2-CD2 4.25Å; K842-L846 HydrophobicContact CG-CD1 4.12Å; K842-L846 WeakPolarHBondContact O-CG 3.33Å; K842-L846 PolarHBondContact O-N 2.78Å; E844-L846 VanDerWaalsContact C-N 3.32Å; E844-L846 PolarHBondContact O-N 2.82Å; L846-L848 VanDerWaalsContact C-N 3.3Å
847	K	67	Low	58.7	Low	148 Å²	148	66.5 Å²	66.5	64%	0.643	31%	0.311	S	S	*	.	H	α-helix	trans	-74.6	-17.3	176.2	-74.3	174.8	-177.1	-178.4	0	113.2	E843 E844 L845 R849	E843-K847 WeakPolarHBondContact O-CG 3.42Å; E843-K847 PolarHBondContact O-N 3.46Å; E844-K847 PolarHBondContact O-N 3.08Å; L845-K847 VanDerWaalsContact C-N 3.26Å; L845-K847 PolarHBondContact O-N 2.86Å; K847-R849 PolarHBondContact O-N 3.12Å
848	L	63.1	Low	57.9	Low	49 Å²	49	73.5 Å²	73.5	26%	0.257	34%	0.341	S	S	.	.			trans	-71.6	101.6	179.5	-70.2	166.8	0	0	0	110.5	Y775 E844 L845 L846 R850 I851	Y775-L848 HydrophobicContact CD1-CD1 3.51Å; Y775-L848 HydrophobicContact CD2-CD1 4.01Å; Y775-L848 HydrophobicContact CE1-CD1 3.67Å; Y775-L848 HydrophobicContact CE2-CD1 4.14Å; Y775-L848 HydrophobicContact CG-CD1 3.7Å; E844-L848 PolarHBondContact O-N 2.6Å; L845-L848 HydrophobicContact CD2-CD1 4.36Å; L845-L848 WeakPolarHBondContact O-CB 3.48Å; L845-L848 PolarHBondContact O-N 3.25Å; L845-L848 VanDerWaalsContact O-N 3.1Å; L846-L848 VanDerWaalsContact C-N 3.3Å; L848-R850 PolarHBondContact O-N 2.81Å; L848-I851 HydrophobicContact CB-CD1 4.09Å; L848-I851 HydrophobicContact CB-CG1 4.12Å; L848-I851 HydrophobicContact CD1-CD1 4.35Å; L848-I851 WeakPolarHBondContact O-CB 3.34Å; L848-I851 PolarHBondContact O-N 3.11Å
849	R	45.5	Very low	56.4	Low	216 Å²	216	69.6 Å²	69.6	82%	0.815	33%	0.334	S	S	*	.	H	α-helix	trans	-43.9	-29.8	178.5	-99.1	-174.7	176.6	-175.8	-0.8	115.5	K847 T852	K847-R849 PolarHBondContact O-N 3.12Å; R849-T852 PolarHBondContact O-OG1 2.77Å
850	R	49.5	Very low	54.5	Low	202 Å²	202	72.3 Å²	72.3	76%	0.762	35%	0.345	S	S	*	.	H	α-helix	trans	-65.3	-41.1	177.2	-86.8	-173.5	178.6	-178.8	0.6	112.2	L848 T852 H853 T854	L848-R850 PolarHBondContact O-N 2.81Å; R850-T852 VanDerWaalsContact C-N 3.32Å; R850-T852 PolarHBondContact O-N 3.35Å; R850-H853 PolarHBondContact O-N 3.39Å; R850-T854 PolarHBondContact O-N 3.08Å; R850-T854 PolarHBondContact O-OG1 3.32Å
851	I	52	Low	52.8	Low	4 Å²	4	77.8 Å²	77.8	2%	0.021	38%	0.381	C	S	.	.	H	α-helix	trans	-63.7	-41.4	-176.9	-58.9	-176.8	0	0	0	110.7	Y775 L779 L845 L848 H853 T854 F855	Y775-I851 VanDerWaalsContact CB-CD1 3.49Å; L779-I851 HydrophobicContact CD2-CG2 4.11Å; L845-I851 HydrophobicContact CB-CD1 4.24Å; L845-I851 HydrophobicContact CD2-CD1 4.34Å; L845-I851 WeakPolarHBondContact O-CD1 3.27Å; L848-I851 HydrophobicContact CB-CD1 4.09Å; L848-I851 HydrophobicContact CB-CG1 4.12Å; L848-I851 HydrophobicContact CD1-CD1 4.35Å; L848-I851 WeakPolarHBondContact O-CB 3.34Å; L848-I851 PolarHBondContact O-N 3.11Å; I851-H853 VanDerWaalsContact C-N 3.25Å; I851-H853 PolarHBondContact O-N 3.41Å; I851-T854 PolarHBondContact O-N 2.98Å; I851-F855 HydrophobicContact CG2-CD2 3.54Å; I851-F855 HydrophobicContact CG2-CE2 3.23Å; I851-F855 HydrophobicContact CG2-CZ 4.37Å; I851-F855 WeakPolarHBondContact O-CD2 3.24Å; I851-F855 PolarHBondContact O-N 3.44Å
852	T	47.4	Very low	50.9	Low	36 Å²	36	84 Å²	84	22%	0.221	40%	0.404	C	S	.	.	H	α-helix	trans	-64.7	-31.4	180	52.6	0	0	0	0	112.7	Y47 R849 R850 S856	Y47-T852 HydrophobicContact CE1-CG2 4.34Å; Y47-T852 HydrophobicContact CE2-CG2 4.46Å; Y47-T852 WeakPolarHBondContact OH-CB 3.14Å; Y47-T852 WeakPolarHBondContact OH-CG2 3.44Å; R849-T852 PolarHBondContact O-OG1 2.77Å; R850-T852 VanDerWaalsContact C-N 3.32Å; R850-T852 PolarHBondContact O-N 3.35Å; T852-S856 WeakPolarHBondContact O-CB 3.48Å; T852-S856 PolarHBondContact O-N 2.99Å; T852-S856 PolarHBondContact O-OG 3.03Å
853	H	43.7	Very low	49.1	Very low	110 Å²	110	87.4 Å²	87.4	51%	0.509	43%	0.427	S	S	.	.	H	α-helix	trans	-77.1	-42.9	174.5	-90.4	-76.3	0	0	0	112.7	R850 I851 F855 S856 D857	R850-H853 PolarHBondContact O-N 3.39Å; I851-H853 VanDerWaalsContact C-N 3.25Å; I851-H853 PolarHBondContact O-N 3.41Å; H853-F855 PolarHBondContact O-N 2.93Å; H853-S856 WeakPolarHBondContact CA-OG 3.46Å; H853-S856 PolarHBondContact O-N 2.86Å; H853-S856 PolarHBondContact O-OG 3.13Å; H853-S856 VanDerWaalsContact O-OG 3.1Å; H853-D857 IonicContact CG-OD2 3.11Å; H853-D857 IonicContact ND1-OD2 2.74Å; H853-D857 PolarHBondContact ND1-OD2 2.97Å; H853-D857 WeakPolarHBondContact O-CB 3.33Å; H853-D857 PolarHBondContact O-N 3Å
854	T	48.2	Very low	47	Very low	71 Å²	71	94.8 Å²	94.8	44%	0.436	45%	0.451	S	S	.	.	H	α-helix	trans	-61.8	-30	179.6	-30.1	0	0	0	0	112.6	V776 R850 I851	V776-T854 HydrophobicContact CG2-CG2 4.3Å; R850-T854 PolarHBondContact O-N 3.08Å; R850-T854 PolarHBondContact O-OG1 3.32Å; I851-T854 PolarHBondContact O-N 2.98Å
855	F	46.6	Very low	44.7	Very low	6 Å²	6	98.7 Å²	98.7	3%	0.026	47%	0.474	C	S	.	.	H	α-helix	trans	-85.5	-20.5	174.2	-68.8	-57.3	0	0	0	114.4	Y47 Y751 V776 L779 I851 H853	Y47-F855 HydrophobicContact CD1-CB 3.52Å; Y47-F855 AromaticContact CD1-CD2 3.96Å; Y47-F855 HydrophobicContact CD1-CD2 3.96Å; Y47-F855 HydrophobicContact CD1-CG 4.04Å; Y47-F855 HydrophobicContact CE1-CB 4.12Å; Y47-F855 HydrophobicContact CG-CD2 4.34Å; Y751-F855 AromaticContact CD1-CD1 3.49Å; Y751-F855 HydrophobicContact CD1-CD1 3.49Å; Y751-F855 VanDerWaalsContact CD1-CD1 3.49Å; Y751-F855 AromaticContact CD1-CE1 3.52Å; Y751-F855 HydrophobicContact CD1-CE1 3.52Å; Y751-F855 HydrophobicContact CD2-CD1 4.41Å; Y751-F855 AromaticContact CD2-CE1 3.63Å; Y751-F855 HydrophobicContact CD2-CE1 3.63Å; Y751-F855 AromaticContact CE1-CD1 3.23Å; Y751-F855 HydrophobicContact CE1-CD1 3.23Å; Y751-F855 AromaticContact CE1-CE1 3.44Å; Y751-F855 HydrophobicContact CE1-CE1 3.44Å; Y751-F855 VanDerWaalsContact CE1-CE1 3.44Å; Y751-F855 HydrophobicContact CE1-CG 4.47Å; Y751-F855 HydrophobicContact CE2-CD1 4.14Å; Y751-F855 AromaticContact CE2-CE1 3.46Å; Y751-F855 HydrophobicContact CE2-CE1 3.46Å; Y751-F855 VanDerWaalsContact CE2-CE1 3.46Å; Y751-F855 HydrophobicContact CE2-CZ 4.34Å; Y751-F855 HydrophobicContact CG-CD1 4.09Å; Y751-F855 AromaticContact CG-CE1 3.63Å; Y751-F855 HydrophobicContact CG-CE1 3.63Å; Y751-F855 AromaticContact CZ-CD1 3.56Å; Y751-F855 AromaticContact CZ-CE1 3.37Å; V776-F855 HydrophobicContact CG1-CE1 3.83Å; V776-F855 HydrophobicContact CG1-CE2 4.35Å; V776-F855 HydrophobicContact CG1-CZ 3.6Å; L779-F855 HydrophobicContact CD2-CE2 3.6Å; L779-F855 HydrophobicContact CD2-CZ 4.1Å; I851-F855 HydrophobicContact CG2-CD2 3.54Å; I851-F855 HydrophobicContact CG2-CE2 3.23Å; I851-F855 HydrophobicContact CG2-CZ 4.37Å; I851-F855 WeakPolarHBondContact O-CD2 3.24Å; I851-F855 PolarHBondContact O-N 3.44Å; H853-F855 PolarHBondContact O-N 2.93Å
856	S	43.6	Very low	42.9	Very low	58 Å²	58	107.9 Å²	107.9	41%	0.406	53%	0.534	S	S	.	.	H	α-helix	trans	-88.9	-23.6	-179.8	65.1	0	0	0	0	113.6	T852 H853	T852-S856 WeakPolarHBondContact O-CB 3.48Å; T852-S856 PolarHBondContact O-N 2.99Å; T852-S856 PolarHBondContact O-OG 3.03Å; H853-S856 WeakPolarHBondContact CA-OG 3.46Å; H853-S856 PolarHBondContact O-N 2.86Å; H853-S856 PolarHBondContact O-OG 3.13Å; H853-S856 VanDerWaalsContact O-OG 3.1Å
857	D	35.8	Very low	41.8	Very low	93 Å²	93	112.3 Å²	112.3	50%	0.497	56%	0.556	S	S	.	*	S	Bend	trans	-103.4	115.8	-166.1	-60.5	-13.1	0	0	0	110.2	H853 A859	H853-D857 IonicContact CG-OD2 3.11Å; H853-D857 IonicContact ND1-OD2 2.74Å; H853-D857 PolarHBondContact ND1-OD2 2.97Å; H853-D857 WeakPolarHBondContact O-CB 3.33Å; H853-D857 PolarHBondContact O-N 3Å; D857-A859 PolarHBondContact O-N 3.16Å
858	E	39.4	Very low	40.5	Very low	158 Å²	158	110.4 Å²	110.4	74%	0.738	55%	0.551	S	S	*	*	S	Bend	trans	70.4	-34.5	172	-62.4	-171.5	155.7	0	0	120.6	F860 C861	E858-F860 PolarHBondContact O-N 3.47Å; E858-C861 PolarHBondContact O-N 3.45Å
859	A	38.6	Very low	39.3	Very low	38 Å²	38	113.8 Å²	113.8	31%	0.314	57%	0.568	S	S	.	*	G	3₁₀ helix	trans	-68.5	-32.6	-175.4	0	0	0	0	0	113.5	D857 C861	D857-A859 PolarHBondContact O-N 3.16Å; A859-C861 VanDerWaalsContact C-N 3.29Å; A859-C861 PolarHBondContact O-N 3.43Å
860	F	34.3	Very low	38.9	Very low	87 Å²	87	107.8 Å²	107.8	38%	0.382	55%	0.553	S	S	.	*	G	3₁₀ helix	trans	-71.3	-19.5	-178.6	-118.3	-86.9	0	0	0	114.1	E858	E858-F860 PolarHBondContact O-N 3.47Å
861	C	33.7	Very low	38.2	Very low	115 Å²	115	101.9 Å²	101.9	78%	0.777	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-88.8	-16.1	-177.1	-76.9	0	0	0	0	113.8	E858 A859	E858-C861 PolarHBondContact O-N 3.45Å; A859-C861 VanDerWaalsContact C-N 3.29Å; A859-C861 PolarHBondContact O-N 3.43Å
862	K	35.6	Very low	37.3	Very low	179 Å²	179	108.5 Å²	108.5	78%	0.778	58%	0.575	S	S	*	*	S	Bend	trans	-95.2	-10.3	-174.7	-73.9	-176.8	178.4	172.1	0	114.9
863	T	31.7	Very low	36.6	Very low	92 Å²	92	113.6 Å²	113.6	56%	0.564	60%	0.6	S	S	*	*			trans	-117.9	57.6	179.4	49.2	0	0	0	0	111.6
864	R	25.3	Very low	36	Very low	237 Å²	237	113.9 Å²	113.9	89%	0.894	61%	0.607	S	S	*	*			trans	-101.1	91.4	154.3	-84.5	-173.1	175.4	-176.6	-0.6	108.1
865	N	24.1	Very low	35	Very low	154 Å²	154	117.5 Å²	117.5	82%	0.824	62%	0.621	S	S	*	*			trans	-118.6	131	140.4	-125.7	-8.9	0	0	0	105.6
866	P	31.8	Very low	34	Very low	193 Å²	193	127.6 Å²	127.6	100%	1.253	68%	0.675	S	S	*	*			trans	-61.3	0	-164.1	25.2	-33.5	0	0	0	114.3

Retrieved 866 of 866 residues in 1398.9 ms (Link to these results)

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