A0A3Q0KRM4_SCHMA Loading...

Cell polarity protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KRM4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 894 aa.

						>A0A3Q0KRM4_SCHMA|A0A3Q0KRM4
MENQKDRNLEFYAEEVRKRQDLEKEKEGEKEFLRTSLRASSRLQAIEKYRRIIKKDEYKRSEVNQAFEDDSKAESSPELTELLCYLRTKMPVPREEKENKFQSSDVTLPTNETTLDLETEQWEWLLNVLSDPNLSKAFLMHDKVAKAYETCKSVMHPKPRYRWPVLAGLAYDTMEAVKERLLTALKNPGQFDAFTLNCISAILNLCSSPLFQNLLIAMDGLANTWLFDADDDFVASESLKLSDDIDRNSISSSYIQKSSVPGCYATLAYDDQGRDSYSEHGVRLKYVILQKTGNEFLGATVRLERNSVLIARIVNGGLACKTNLLHEGDELLSVNGIELLGKDLNTVCDIMASLQGRIVLLVAPALDPYSSVSTKGIIHLRALFTYEPSDDRYIACKELGLGFTKGDIIHVTGRKDPNWWQAYRSDEERGLSGAIGTLAGLIPSPIYQRNRAILRLKYWLTSGTEDIEFEEDSTDSDSTGSTVIKTEKPTNKSKEKKFLGIKFPTLKNTHFSSRSTSPSGRDTNQTDSKSELTSVDTSEGDLTDGVVYTPEDDSRCVMNSTVLSSAYGDRMSGLTKPTDLSSANAINEWSAAGPVWGQHGYNLRTLCARRKRNRRKLSSTNRSSLCLEGLKSWKKDKKHGEYCPFLVPVPDNELQSSDDPVAWLDKEVARGYMIHYSLWTYEPVAQYIPQPLRRRPLVFVGPAHVGRQQILQHLIQREPDRFYQAAIYTTNSNLKTDTKFSYICITEEEFRLKRKQKEFIEWGLFNRDYYGTSKLTVRQLVNEGKICCISLRPDSLRKIRSSGLDPYVIFISPPERVDDLQRLRKNLNLAGNCSNDELKACIETSRKMELRFGHWFDRVIIPETLDTTVTELIRLAIKLEREPTWVPRYWLDLE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	48.4	Very low	60.6	Low	208 Å²	208	142.6 Å²	142.6	100%	1.025	68%	0.675	S	S	*	*				0	-32.9	0	-79.6	-112.5	-85	0	0	112.2
2	E	50.2	Low	62	Low	159 Å²	159	144.7 Å²	144.7	74%	0.743	67%	0.673	S	S	*	*	H	α-helix	trans	-66.3	-46.3	176.3	-81.5	162.4	150.5	0	0	114.1	Q4 K5 D6	E2-Q4 PolarHBondContact O-N 3.49Å; E2-K5 WeakPolarHBondContact O-CB 3.31Å; E2-K5 PolarHBondContact O-N 2.87Å; E2-D6 PolarHBondContact O-N 3.2Å; E2-D6 VanDerWaalsContact O-N 3.14Å
3	N	54.1	Low	63.5	Low	134 Å²	134	138.2 Å²	138.2	72%	0.717	66%	0.66	S	S	*	*	H	α-helix	trans	-60.5	-17.9	179.2	-79.9	-4.1	0	0	0	115.7
4	Q	53.9	Low	64.7	Low	149 Å²	149	137.9 Å²	137.9	70%	0.696	66%	0.658	S	S	*	*	H	α-helix	trans	-93.8	-21	177.7	-154.5	149.7	-0.4	0	0	112	E2 N8	E2-Q4 PolarHBondContact O-N 3.49Å; Q4-N8 PolarHBondContact O-N 2.58Å; Q4-N8 PolarHBondContact O-ND2 3.33Å
5	K	54.3	Low	66.1	Low	134 Å²	134	133.9 Å²	133.9	58%	0.583	64%	0.638	S	S	*	*	H	α-helix	trans	-74.1	-42	168.9	-75.8	-177.6	173.9	-178.3	0	110.7	E2 R7 N8 L9	E2-K5 WeakPolarHBondContact O-CB 3.31Å; E2-K5 PolarHBondContact O-N 2.87Å; K5-R7 PolarHBondContact O-N 3.04Å; K5-N8 PolarHBondContact O-N 3.11Å; K5-N8 VanDerWaalsContact O-N 3.17Å; K5-L9 WeakPolarHBondContact O-CD1 3.45Å; K5-L9 PolarHBondContact O-N 3.49Å
6	D	58.1	Low	67.2	Low	92 Å²	92	128.6 Å²	128.6	49%	0.492	62%	0.617	S	S	.	*	H	α-helix	trans	-64.9	-40.4	-179.3	-68.8	-21.3	0	0	0	112.6	E2 N8 L9 E10	E2-D6 PolarHBondContact O-N 3.2Å; E2-D6 VanDerWaalsContact O-N 3.14Å; D6-N8 VanDerWaalsContact C-N 3.34Å; D6-N8 PolarHBondContact O-N 2.94Å; D6-L9 PolarHBondContact O-N 3.23Å; D6-E10 PolarHBondContact O-N 3.25Å
7	R	59.4	Low	68.3	Low	191 Å²	191	131.2 Å²	131.2	72%	0.721	62%	0.619	S	S	*	*	H	α-helix	trans	-64.9	-34.4	173.4	-75.8	-176.5	172	-177.1	-2	113.6	K5 F11	K5-R7 PolarHBondContact O-N 3.04Å; R7-F11 WeakPolarHBondContact O-CB 3.47Å; R7-F11 PolarHBondContact O-N 3.27Å; R7-F11 VanDerWaalsContact O-N 3.1Å
8	N	67.1	Low	69.2	Low	114 Å²	114	131.7 Å²	131.7	61%	0.61	62%	0.618	S	S	*	*	H	α-helix	trans	-72.8	-32.5	174.8	-79.8	-17.9	0	0	0	111.8	Q4 K5 D6 Y12	Q4-N8 PolarHBondContact O-N 2.58Å; Q4-N8 PolarHBondContact O-ND2 3.33Å; K5-N8 PolarHBondContact O-N 3.11Å; K5-N8 VanDerWaalsContact O-N 3.17Å; D6-N8 VanDerWaalsContact C-N 3.34Å; D6-N8 PolarHBondContact O-N 2.94Å; N8-Y12 WeakPolarHBondContact O-CB 3.45Å; N8-Y12 PolarHBondContact O-N 3.49Å
9	L	71.5	Confident	69.9	Low	118 Å²	118	133.4 Å²	133.4	62%	0.618	62%	0.618	S	S	*	*	H	α-helix	trans	-69.7	-42.1	174.3	-98.9	122.6	0	0	0	112	K5 D6 Y12 A13	K5-L9 WeakPolarHBondContact O-CD1 3.45Å; K5-L9 PolarHBondContact O-N 3.49Å; D6-L9 PolarHBondContact O-N 3.23Å; L9-Y12 PolarHBondContact O-N 3.02Å; L9-A13 WeakPolarHBondContact O-CB 3.48Å; L9-A13 PolarHBondContact O-N 2.91Å
10	E	73.4	Confident	70.7	Confident	136 Å²	136	132.5 Å²	132.5	64%	0.636	61%	0.614	S	S	*	*	H	α-helix	trans	-63.6	-44.2	174.5	-77.8	-179.7	159.5	0	0	111.7	D6 Y12 A13 E14	D6-E10 PolarHBondContact O-N 3.25Å; E10-Y12 VanDerWaalsContact C-N 3.33Å; E10-Y12 PolarHBondContact O-N 2.96Å; E10-A13 PolarHBondContact O-N 3.15Å; E10-E14 PolarHBondContact O-N 3.16Å
11	F	76.7	Confident	71.4	Confident	134 Å²	134	130.5 Å²	130.5	59%	0.588	61%	0.608	S	S	*	*	H	α-helix	trans	-62.9	-40.6	176.6	-164.5	-90.9	0	0	0	111.8	R7 E14 E15	R7-F11 WeakPolarHBondContact O-CB 3.47Å; R7-F11 PolarHBondContact O-N 3.27Å; R7-F11 VanDerWaalsContact O-N 3.1Å; F11-E14 PolarHBondContact O-N 2.87Å; F11-E15 WeakPolarHBondContact O-CB 3.41Å; F11-E15 PolarHBondContact O-N 2.95Å
12	Y	77.4	Confident	73.2	Confident	167 Å²	167	125.2 Å²	125.2	66%	0.655	58%	0.584	S	S	*	*	H	α-helix	trans	-66.1	-38.5	175.2	-171.7	-99	0	0	0	111.9	N8 L9 E10 E15 V16	N8-Y12 WeakPolarHBondContact O-CB 3.45Å; N8-Y12 PolarHBondContact O-N 3.49Å; L9-Y12 PolarHBondContact O-N 3.02Å; E10-Y12 VanDerWaalsContact C-N 3.33Å; E10-Y12 PolarHBondContact O-N 2.96Å; Y12-E15 PolarHBondContact O-N 2.9Å; Y12-V16 HydrophobicContact CD1-CG2 4.03Å; Y12-V16 HydrophobicContact CE1-CG2 3.71Å; Y12-V16 WeakPolarHBondContact O-CB 3.15Å; Y12-V16 WeakPolarHBondContact O-CG2 3.39Å; Y12-V16 PolarHBondContact O-N 2.97Å
13	A	81.1	Confident	74.8	Confident	60 Å²	60	124.1 Å²	124.1	50%	0.496	58%	0.579	S	S	.	*	H	α-helix	trans	-65.4	-40.8	176	0	0	0	0	0	112.3	L9 E10 R17	L9-A13 WeakPolarHBondContact O-CB 3.48Å; L9-A13 PolarHBondContact O-N 2.91Å; E10-A13 PolarHBondContact O-N 3.15Å; A13-R17 WeakPolarHBondContact O-CB 3.25Å; A13-R17 PolarHBondContact O-N 2.93Å
14	E	80.9	Confident	76.4	Confident	135 Å²	135	125 Å²	125	63%	0.631	58%	0.576	S	S	*	*	H	α-helix	trans	-65.2	-41.7	174	-98.1	-176.6	158	0	0	112.6	E10 F11 R17 K18	E10-E14 PolarHBondContact O-N 3.16Å; F11-E14 PolarHBondContact O-N 2.87Å; E14-R17 PolarHBondContact O-N 2.79Å; E14-K18 PolarHBondContact O-N 3.29Å
15	E	84.6	Confident	77.8	Confident	77 Å²	77	124 Å²	124	36%	0.36	57%	0.571	S	S	.	*	H	α-helix	trans	-67.6	-38	179.2	-164.1	67.6	-165.1	0	0	111.8	F11 Y12 R19	F11-E15 WeakPolarHBondContact O-CB 3.41Å; F11-E15 PolarHBondContact O-N 2.95Å; Y12-E15 PolarHBondContact O-N 2.9Å; E15-R19 PolarHBondContact O-N 2.88Å
16	V	83.9	Confident	79.2	Confident	49 Å²	49	123.6 Å²	123.6	30%	0.297	57%	0.57	S	S	.	*	H	α-helix	trans	-65.3	-41.8	173.3	170.5	0	0	0	0	110.7	Y12 R19 Q20	Y12-V16 HydrophobicContact CD1-CG2 4.03Å; Y12-V16 HydrophobicContact CE1-CG2 3.71Å; Y12-V16 WeakPolarHBondContact O-CB 3.15Å; Y12-V16 WeakPolarHBondContact O-CG2 3.39Å; Y12-V16 PolarHBondContact O-N 2.97Å; V16-R19 PolarHBondContact O-N 3.33Å; V16-Q20 WeakPolarHBondContact O-CG 3.46Å; V16-Q20 PolarHBondContact O-N 3.43Å
17	R	85.4	Confident	80.3	Confident	174 Å²	174	125.5 Å²	125.5	66%	0.657	58%	0.575	S	S	*	*	H	α-helix	trans	-62.8	-45.3	177.1	-167.5	179.2	179.6	179.1	1.6	111.7	A13 E14 R19 Q20 D21	A13-R17 WeakPolarHBondContact O-CB 3.25Å; A13-R17 PolarHBondContact O-N 2.93Å; E14-R17 PolarHBondContact O-N 2.79Å; R17-R19 VanDerWaalsContact C-N 3.33Å; R17-R19 PolarHBondContact O-N 3.14Å; R17-Q20 PolarHBondContact O-N 3.2Å; R17-D21 PolarHBondContact O-N 3.1Å
18	K	85	Confident	81.5	Confident	139 Å²	139	118 Å²	118	60%	0.604	56%	0.558	S	S	*	*	H	α-helix	trans	-59.4	-39.9	174	-90.9	179.9	175.7	170.8	0	113	E14 L22	E14-K18 PolarHBondContact O-N 3.29Å; K18-L22 WeakPolarHBondContact O-CB 3.27Å; K18-L22 PolarHBondContact O-N 3.4Å; K18-L22 VanDerWaalsContact O-N 3.07Å
19	R	83.5	Confident	81.8	Confident	165 Å²	165	118.5 Å²	118.5	62%	0.623	56%	0.556	S	S	*	*	H	α-helix	trans	-65	-43	175.2	-92	-168.6	178.2	99.5	-0.2	112.3	E15 V16 R17 L22 E23	E15-R19 PolarHBondContact O-N 2.88Å; V16-R19 PolarHBondContact O-N 3.33Å; R17-R19 VanDerWaalsContact C-N 3.33Å; R17-R19 PolarHBondContact O-N 3.14Å; R19-L22 PolarHBondContact O-N 3.36Å; R19-E23 PolarHBondContact O-N 3.01Å
20	Q	85	Confident	82.1	Confident	114 Å²	114	119.1 Å²	119.1	53%	0.533	55%	0.554	S	S	.	*	H	α-helix	trans	-65.1	-38.6	178.3	-74.1	-178.9	-11.6	0	0	112.3	V16 R17 E23 K24	V16-Q20 WeakPolarHBondContact O-CG 3.46Å; V16-Q20 PolarHBondContact O-N 3.43Å; R17-Q20 PolarHBondContact O-N 3.2Å; Q20-E23 PolarHBondContact O-N 3.29Å; Q20-K24 WeakPolarHBondContact O-CB 3.46Å; Q20-K24 PolarHBondContact O-N 3.09Å
21	D	86.1	Confident	82.2	Confident	91 Å²	91	119.3 Å²	119.3	49%	0.487	56%	0.555	S	S	.	*	H	α-helix	trans	-67.4	-41.6	176.6	-69.7	-23.8	0	0	0	111.3	R17 K24 E25	R17-D21 PolarHBondContact O-N 3.1Å; D21-K24 PolarHBondContact O-N 3.02Å; D21-E25 WeakPolarHBondContact O-CB 3.4Å; D21-E25 PolarHBondContact O-N 2.99Å
22	L	85.9	Confident	81.9	Confident	98 Å²	98	119.7 Å²	119.7	51%	0.513	56%	0.557	S	S	.	*	H	α-helix	trans	-65.8	-35.2	173.5	-83.5	168.8	0	0	0	113.4	K18 R19 K26	K18-L22 WeakPolarHBondContact O-CB 3.27Å; K18-L22 PolarHBondContact O-N 3.4Å; K18-L22 VanDerWaalsContact O-N 3.07Å; R19-L22 PolarHBondContact O-N 3.36Å; L22-K26 WeakPolarHBondContact O-CB 3.45Å; L22-K26 WeakPolarHBondContact O-CG 3.46Å; L22-K26 PolarHBondContact O-N 3.34Å
23	E	84.1	Confident	81.4	Confident	136 Å²	136	116.4 Å²	116.4	64%	0.636	55%	0.55	S	S	*	*	H	α-helix	trans	-68	-42.6	173.8	-102.6	178.8	167	0	0	111.6	R19 Q20 K26 E27	R19-E23 PolarHBondContact O-N 3.01Å; Q20-E23 PolarHBondContact O-N 3.29Å; E23-K26 PolarHBondContact O-N 3.45Å; E23-E27 WeakPolarHBondContact O-CB 3.4Å; E23-E27 PolarHBondContact O-N 3.18Å
24	K	86.8	Confident	80.7	Confident	151 Å²	151	122.9 Å²	122.9	66%	0.657	56%	0.562	S	S	*	*	H	α-helix	trans	-62.5	-40.3	173.1	-89.8	-178.2	174.3	176.5	0	112.6	Q20 D21 E27 G28	Q20-K24 WeakPolarHBondContact O-CB 3.46Å; Q20-K24 PolarHBondContact O-N 3.09Å; D21-K24 PolarHBondContact O-N 3.02Å; K24-E27 PolarHBondContact O-N 3.45Å; K24-G28 PolarHBondContact O-N 2.89Å
25	E	83.6	Confident	80	Confident	129 Å²	129	120.7 Å²	120.7	60%	0.603	56%	0.558	S	S	*	*	H	α-helix	trans	-65.5	-42.3	176.5	-166.4	176.1	-160.4	0	0	110.8	D21 G28 E29	D21-E25 WeakPolarHBondContact O-CB 3.4Å; D21-E25 PolarHBondContact O-N 2.99Å; E25-G28 PolarHBondContact O-N 3.46Å; E25-E29 PolarHBondContact O-N 2.97Å
26	K	83.7	Confident	78.8	Confident	126 Å²	126	119.6 Å²	119.6	55%	0.548	56%	0.559	S	S	.	*	H	α-helix	trans	-66	-37	172.9	-80.4	-179.6	178.7	175.8	0	113.4	L22 E23 K30	L22-K26 WeakPolarHBondContact O-CB 3.45Å; L22-K26 WeakPolarHBondContact O-CG 3.46Å; L22-K26 PolarHBondContact O-N 3.34Å; E23-K26 PolarHBondContact O-N 3.45Å; K26-K30 VanDerWaalsContact O-CB 3.29Å; K26-K30 WeakPolarHBondContact O-CB 3.48Å; K26-K30 VanDerWaalsContact O-CG 3.23Å; K26-K30 WeakPolarHBondContact O-CG 3.32Å; K26-K30 PolarHBondContact O-N 3.23Å
27	E	81.7	Confident	77.4	Confident	131 Å²	131	122.5 Å²	122.5	61%	0.612	57%	0.572	S	S	*	*	H	α-helix	trans	-66.9	-41.4	173.4	-82.2	-173.8	156.6	0	0	110.9	E23 K24 K30 E31	E23-E27 WeakPolarHBondContact O-CB 3.4Å; E23-E27 PolarHBondContact O-N 3.18Å; K24-E27 PolarHBondContact O-N 3.45Å; E27-K30 CarbonylContact O-C 3.58Å; E27-K30 PolarHBondContact O-N 2.86Å; E27-E31 WeakPolarHBondContact O-CB 3.5Å; E27-E31 PolarHBondContact O-N 3.46Å
28	G	83.4	Confident	76	Confident	35 Å²	35	124.5 Å²	124.5	36%	0.361	58%	0.579	S	S	.	*	H	α-helix	trans	-62.1	-44	173.2	0	0	0	0	0	112.8	K24 E25 E31 F32	K24-G28 PolarHBondContact O-N 2.89Å; E25-G28 PolarHBondContact O-N 3.46Å; G28-E31 PolarHBondContact O-N 2.86Å; G28-F32 WeakPolarHBondContact O-CB 3.09Å; G28-F32 PolarHBondContact O-N 3.4Å
29	E	74.5	Confident	74.7	Confident	123 Å²	123	121.3 Å²	121.3	58%	0.575	58%	0.579	S	S	*	*	H	α-helix	trans	-63.6	-41.3	172.5	-85.7	-168.1	146.2	0	0	112	E25 F32 L33	E25-E29 PolarHBondContact O-N 2.97Å; E29-F32 PolarHBondContact O-N 2.84Å; E29-L33 VanDerWaalsContact O-CB 3.27Å; E29-L33 WeakPolarHBondContact O-CB 3.16Å; E29-L33 WeakPolarHBondContact O-CD1 3.31Å; E29-L33 VanDerWaalsContact O-CG 3.28Å; E29-L33 WeakPolarHBondContact O-CG 3.3Å; E29-L33 PolarHBondContact O-N 3Å
30	K	77.5	Confident	73.7	Confident	131 Å²	131	115.1 Å²	115.1	57%	0.57	56%	0.561	S	S	*	*	H	α-helix	trans	-69.7	-39.1	178	-78.5	174.6	-177.1	173.9	0	112.2	K26 E27 L33 R34	K26-K30 VanDerWaalsContact O-CB 3.29Å; K26-K30 WeakPolarHBondContact O-CB 3.48Å; K26-K30 VanDerWaalsContact O-CG 3.23Å; K26-K30 WeakPolarHBondContact O-CG 3.32Å; K26-K30 PolarHBondContact O-N 3.23Å; E27-K30 CarbonylContact O-C 3.58Å; E27-K30 PolarHBondContact O-N 2.86Å; K30-L33 PolarHBondContact O-N 2.99Å; K30-R34 VanDerWaalsContact O-CB 3.29Å; K30-R34 WeakPolarHBondContact O-CB 3.22Å; K30-R34 VanDerWaalsContact O-CG 3.29Å; K30-R34 WeakPolarHBondContact O-CG 3.26Å; K30-R34 PolarHBondContact O-N 2.93Å
31	E	75.2	Confident	72.7	Confident	141 Å²	141	114.2 Å²	114.2	66%	0.659	57%	0.568	S	S	*	*	H	α-helix	trans	-65.5	-44.5	173.1	-99.2	-171.2	149.9	0	0	110.6	E27 G28 R34 T35	E27-E31 WeakPolarHBondContact O-CB 3.5Å; E27-E31 PolarHBondContact O-N 3.46Å; G28-E31 PolarHBondContact O-N 2.86Å; E31-R34 PolarHBondContact O-N 2.89Å; E31-T35 WeakPolarHBondContact O-CB 3.4Å; E31-T35 PolarHBondContact O-N 2.86Å; E31-T35 PolarHBondContact O-OG1 2.96Å
32	F	70.8	Confident	71.7	Confident	141 Å²	141	118.8 Å²	118.8	62%	0.618	58%	0.578	S	S	*	*	H	α-helix	trans	-60.3	-46.2	173.5	-178.1	-100.9	0	0	0	111.1	G28 E29 R34 T35 S36	G28-F32 WeakPolarHBondContact O-CB 3.09Å; G28-F32 PolarHBondContact O-N 3.4Å; E29-F32 PolarHBondContact O-N 2.84Å; F32-R34 PolarHBondContact O-N 3.42Å; F32-T35 PolarHBondContact O-OG1 2.91Å; F32-S36 WeakPolarHBondContact O-CA 3.4Å; F32-S36 WeakPolarHBondContact O-CB 3.45Å; F32-S36 PolarHBondContact O-N 3.45Å
33	L	67.7	Low	70.8	Confident	99 Å²	99	117.7 Å²	117.7	52%	0.518	57%	0.572	S	S	.	*	H	α-helix	trans	-62.2	-41.3	175	-80.7	160.4	0	0	0	111.7	E29 K30 L37	E29-L33 VanDerWaalsContact O-CB 3.27Å; E29-L33 WeakPolarHBondContact O-CB 3.16Å; E29-L33 WeakPolarHBondContact O-CD1 3.31Å; E29-L33 VanDerWaalsContact O-CG 3.28Å; E29-L33 WeakPolarHBondContact O-CG 3.3Å; E29-L33 PolarHBondContact O-N 3Å; K30-L33 PolarHBondContact O-N 2.99Å; L33-L37 WeakPolarHBondContact O-CB 3.21Å; L33-L37 WeakPolarHBondContact O-CD1 3.45Å; L33-L37 WeakPolarHBondContact O-CG 3.47Å; L33-L37 PolarHBondContact O-N 3.49Å
34	R	66	Low	70	Confident	195 Å²	195	116.9 Å²	116.9	74%	0.736	57%	0.569	S	S	*	*	H	α-helix	trans	-69.8	-41.9	179.2	-81.6	177.6	171	175.5	-1.1	113.1	K30 E31 F32	K30-R34 VanDerWaalsContact O-CB 3.29Å; K30-R34 WeakPolarHBondContact O-CB 3.22Å; K30-R34 VanDerWaalsContact O-CG 3.29Å; K30-R34 WeakPolarHBondContact O-CG 3.26Å; K30-R34 PolarHBondContact O-N 2.93Å; E31-R34 PolarHBondContact O-N 2.89Å; F32-R34 PolarHBondContact O-N 3.42Å
35	T	66.8	Low	69.3	Low	90 Å²	90	112 Å²	112	55%	0.552	56%	0.556	S	S	*	*	H	α-helix	trans	-74.2	-39.7	176	39.3	0	0	0	0	110.9	E31 F32 R38 A39	E31-T35 WeakPolarHBondContact O-CB 3.4Å; E31-T35 PolarHBondContact O-N 2.86Å; E31-T35 PolarHBondContact O-OG1 2.96Å; F32-T35 PolarHBondContact O-OG1 2.91Å; T35-R38 PolarHBondContact O-N 3.29Å; T35-A39 WeakPolarHBondContact O-CB 3.1Å; T35-A39 PolarHBondContact O-N 3.04Å
36	S	57.9	Low	68.6	Low	54 Å²	54	109.6 Å²	109.6	38%	0.378	55%	0.547	S	S	.	.	H	α-helix	trans	-71.4	-35.1	-179.7	-163.1	0	0	0	0	112.6	F32 R38 S40	F32-S36 WeakPolarHBondContact O-CA 3.4Å; F32-S36 WeakPolarHBondContact O-CB 3.45Å; F32-S36 PolarHBondContact O-N 3.45Å; S36-R38 VanDerWaalsContact C-N 3.32Å; S36-R38 PolarHBondContact O-N 3.09Å; S36-S40 WeakPolarHBondContact O-CB 3.18Å; S36-S40 PolarHBondContact O-N 3.34Å
37	L	54.3	Low	67.9	Low	110 Å²	110	107.8 Å²	107.8	58%	0.576	54%	0.54	S	S	*	.	H	α-helix	trans	-66.3	-30.1	172.8	-87.3	156.9	0	0	0	113.2	L33 L43	L33-L37 WeakPolarHBondContact O-CB 3.21Å; L33-L37 WeakPolarHBondContact O-CD1 3.45Å; L33-L37 WeakPolarHBondContact O-CG 3.47Å; L33-L37 PolarHBondContact O-N 3.49Å; L37-L43 HydrophobicContact CD2-CD1 3.75Å; L37-L43 WeakPolarHBondContact O-CD1 3.48Å
38	R	57.2	Low	67.5	Low	215 Å²	215	108.6 Å²	108.6	81%	0.811	54%	0.541	S	S	*	.	H	α-helix	trans	-94.7	-27.7	178.8	-74.7	-175.5	177.1	168.9	-0.2	114.3	T35 S36 Q44	T35-R38 PolarHBondContact O-N 3.29Å; S36-R38 VanDerWaalsContact C-N 3.32Å; S36-R38 PolarHBondContact O-N 3.09Å; R38-Q44 PolarHBondContact O-NE2 3.28Å; R38-Q44 VanDerWaalsContact O-NE2 3.13Å
39	A	57.7	Low	66.6	Low	73 Å²	73	114.6 Å²	114.6	60%	0.603	55%	0.554	S	S	*	*	H	α-helix	trans	-94.7	-5.5	179	0	0	0	0	0	113.4	T35 S41	T35-A39 WeakPolarHBondContact O-CB 3.1Å; T35-A39 PolarHBondContact O-N 3.04Å; A39-S41 PolarHBondContact O-N 2.86Å
40	S	62.8	Low	66.4	Low	35 Å²	35	116.6 Å²	116.6	25%	0.245	56%	0.557	C	S	.	*			trans	-60.8	104.3	174.8	175.1	0	0	0	0	110.2	S36 R42 L43 Q44	S36-S40 WeakPolarHBondContact O-CB 3.18Å; S36-S40 PolarHBondContact O-N 3.34Å; S40-R42 PolarHBondContact O-N 2.8Å; S40-R42 PolarHBondContact OG-N 2.71Å; S40-L43 PolarHBondContact O-N 3.27Å; S40-L43 PolarHBondContact OG-N 3.04Å; S40-Q44 PolarHBondContact O-N 2.91Å
41	S	63.8	Low	65.9	Low	95 Å²	95	117.7 Å²	117.7	66%	0.664	56%	0.557	S	S	*	*	H	α-helix	trans	-48.3	-31.7	169.8	175.2	0	0	0	0	111.4	A39 A45	A39-S41 PolarHBondContact O-N 2.86Å; S41-A45 WeakPolarHBondContact O-CB 3.41Å; S41-A45 PolarHBondContact O-N 2.84Å
42	R	65.2	Low	65.3	Low	187 Å²	187	114.8 Å²	114.8	71%	0.706	55%	0.546	S	S	*	.	H	α-helix	trans	-69.1	-45.1	175.1	-174.1	177.8	175.7	160.1	0.2	112.9	S40 A45 I46	S40-R42 PolarHBondContact O-N 2.8Å; S40-R42 PolarHBondContact OG-N 2.71Å; R42-A45 PolarHBondContact O-N 2.64Å; R42-I46 HydrophobicContact CG-CD1 4.16Å; R42-I46 VanDerWaalsContact O-CG1 3.26Å; R42-I46 WeakPolarHBondContact O-CG1 3.47Å; R42-I46 PolarHBondContact O-N 2.82Å
43	L	66.6	Low	64.7	Low	75 Å²	75	112.8 Å²	112.8	39%	0.393	54%	0.54	S	S	.	.	H	α-helix	trans	-70.6	-36.9	176.2	-78.5	169.2	0	0	0	111.7	L37 S40 A45 I46 E47	L37-L43 HydrophobicContact CD2-CD1 3.75Å; L37-L43 WeakPolarHBondContact O-CD1 3.48Å; S40-L43 PolarHBondContact O-N 3.27Å; S40-L43 PolarHBondContact OG-N 3.04Å; L43-A45 VanDerWaalsContact C-N 3.33Å; L43-I46 PolarHBondContact O-N 2.91Å; L43-E47 VanDerWaalsContact O-CB 3.31Å; L43-E47 WeakPolarHBondContact O-CB 3.24Å; L43-E47 PolarHBondContact O-N 2.98Å
44	Q	67.9	Low	64.3	Low	119 Å²	119	115.9 Å²	115.9	56%	0.556	55%	0.549	S	S	*	.	H	α-helix	trans	-63.4	-39.6	171.4	-72.1	-175.9	1.4	0	0	111.7	R38 S40 E47 K48	R38-Q44 PolarHBondContact O-NE2 3.28Å; R38-Q44 VanDerWaalsContact O-NE2 3.13Å; S40-Q44 PolarHBondContact O-N 2.91Å; Q44-E47 PolarHBondContact O-N 3.4Å; Q44-K48 VanDerWaalsContact O-CB 3.24Å; Q44-K48 WeakPolarHBondContact O-CB 3.12Å; Q44-K48 PolarHBondContact O-N 3.04Å
45	A	71	Confident	63.7	Low	47 Å²	47	114.7 Å²	114.7	39%	0.388	55%	0.549	S	S	.	.	H	α-helix	trans	-65.4	-40.2	174.4	0	0	0	0	0	112.4	S41 R42 L43 K48 Y49	S41-A45 WeakPolarHBondContact O-CB 3.41Å; S41-A45 PolarHBondContact O-N 2.84Å; R42-A45 PolarHBondContact O-N 2.64Å; L43-A45 VanDerWaalsContact C-N 3.33Å; A45-K48 PolarHBondContact O-N 3.4Å; A45-Y49 WeakPolarHBondContact O-CB 3.46Å; A45-Y49 PolarHBondContact O-N 3.03Å
46	I	68.7	Low	62.6	Low	80 Å²	80	115.3 Å²	115.3	41%	0.41	55%	0.549	S	S	.	.	H	α-helix	trans	-67.4	-41	175.6	-69.3	164.8	0	0	0	111.4	R42 L43 K48 Y49 R50	R42-I46 HydrophobicContact CG-CD1 4.16Å; R42-I46 VanDerWaalsContact O-CG1 3.26Å; R42-I46 WeakPolarHBondContact O-CG1 3.47Å; R42-I46 PolarHBondContact O-N 2.82Å; L43-I46 PolarHBondContact O-N 2.91Å; I46-K48 VanDerWaalsContact C-N 3.35Å; I46-Y49 PolarHBondContact O-N 3.09Å; I46-R50 WeakPolarHBondContact O-CB 3.45Å; I46-R50 PolarHBondContact O-N 3.19Å
47	E	69.8	Low	61.8	Low	87 Å²	87	120 Å²	120	41%	0.407	57%	0.565	S	S	.	*	H	α-helix	trans	-66.7	-37.5	175.6	-169	68.6	-165	0	0	111.2	L43 Q44 R50 R51	L43-E47 VanDerWaalsContact O-CB 3.31Å; L43-E47 WeakPolarHBondContact O-CB 3.24Å; L43-E47 PolarHBondContact O-N 2.98Å; Q44-E47 PolarHBondContact O-N 3.4Å; E47-R50 PolarHBondContact O-N 3.43Å; E47-R51 WeakPolarHBondContact O-CG 3.18Å; E47-R51 PolarHBondContact O-N 2.89Å; E47-R51 IonicContact OE1-NH2 3.32Å
48	K	72.1	Confident	61.2	Low	148 Å²	148	124.8 Å²	124.8	64%	0.643	58%	0.577	S	S	*	*	H	α-helix	trans	-65.1	-44.1	173.3	-149.5	176.2	-171.4	-175.4	0	110.6	Q44 A45 I46 R51 I52	Q44-K48 VanDerWaalsContact O-CB 3.24Å; Q44-K48 WeakPolarHBondContact O-CB 3.12Å; Q44-K48 PolarHBondContact O-N 3.04Å; A45-K48 PolarHBondContact O-N 3.4Å; I46-K48 VanDerWaalsContact C-N 3.35Å; K48-R51 PolarHBondContact O-N 3.45Å; K48-I52 WeakPolarHBondContact O-CD1 3.44Å; K48-I52 VanDerWaalsContact O-CG1 3.24Å; K48-I52 WeakPolarHBondContact O-CG1 3.22Å; K48-I52 PolarHBondContact O-N 2.98Å
49	Y	66.3	Low	60.1	Low	162 Å²	162	122.1 Å²	122.1	64%	0.635	57%	0.572	S	S	*	*	H	α-helix	trans	-62.1	-43.1	172.6	-107.2	-89.1	0	0	0	112.4	A45 I46 R51 I52 I53	A45-Y49 WeakPolarHBondContact O-CB 3.46Å; A45-Y49 PolarHBondContact O-N 3.03Å; I46-Y49 PolarHBondContact O-N 3.09Å; Y49-R51 VanDerWaalsContact C-N 3.32Å; Y49-R51 PolarHBondContact O-N 3.18Å; Y49-I52 PolarHBondContact O-N 3.2Å; Y49-I53 HydrophobicContact CD1-CD1 4.43Å; Y49-I53 VanDerWaalsContact O-CG1 3.25Å; Y49-I53 WeakPolarHBondContact O-CG1 3.24Å; Y49-I53 PolarHBondContact O-N 2.89Å
50	R	69.2	Low	58.9	Low	165 Å²	165	129.4 Å²	129.4	62%	0.623	58%	0.583	S	S	*	*	H	α-helix	trans	-62.4	-36.3	174.8	-95.4	-176.5	169	-179.1	-2	112.8	I46 E47 K54	I46-R50 WeakPolarHBondContact O-CB 3.45Å; I46-R50 PolarHBondContact O-N 3.19Å; E47-R50 PolarHBondContact O-N 3.43Å; R50-K54 VanDerWaalsContact O-CB 3.27Å; R50-K54 WeakPolarHBondContact O-CB 3.33Å; R50-K54 WeakPolarHBondContact O-CG 3.33Å; R50-K54 PolarHBondContact O-N 2.85Å
51	R	66.8	Low	57.3	Low	153 Å²	153	133.1 Å²	133.1	58%	0.577	61%	0.609	S	S	*	*	H	α-helix	trans	-72.6	-31.3	175.2	-74.4	179.4	-162	153.8	6.5	112.9	E47 K48 Y49 K55	E47-R51 WeakPolarHBondContact O-CG 3.18Å; E47-R51 PolarHBondContact O-N 2.89Å; E47-R51 IonicContact OE1-NH2 3.32Å; K48-R51 PolarHBondContact O-N 3.45Å; Y49-R51 VanDerWaalsContact C-N 3.32Å; Y49-R51 PolarHBondContact O-N 3.18Å; R51-K55 VanDerWaalsContact O-CB 3.28Å; R51-K55 WeakPolarHBondContact O-CB 3.33Å; R51-K55 VanDerWaalsContact O-CG 3.29Å; R51-K55 WeakPolarHBondContact O-CG 3.27Å; R51-K55 PolarHBondContact O-N 3.07Å; R51-K55 VanDerWaalsContact O-N 3.11Å
52	I	63.9	Low	56.1	Low	81 Å²	81	136.2 Å²	136.2	42%	0.415	61%	0.614	S	S	.	*	H	α-helix	trans	-68.3	-52	172.8	-67.8	161.9	0	0	0	108.7	K48 Y49 K54 K55 D56	K48-I52 WeakPolarHBondContact O-CD1 3.44Å; K48-I52 VanDerWaalsContact O-CG1 3.24Å; K48-I52 WeakPolarHBondContact O-CG1 3.22Å; K48-I52 PolarHBondContact O-N 2.98Å; Y49-I52 PolarHBondContact O-N 3.2Å; I52-K54 PolarHBondContact O-N 3.39Å; I52-K55 PolarHBondContact O-N 3.37Å; I52-D56 VanDerWaalsContact CG2-OD2 3.24Å; I52-D56 WeakPolarHBondContact CG2-OD2 3.49Å; I52-D56 WeakPolarHBondContact O-CB 3.47Å; I52-D56 VanDerWaalsContact O-CG 3.26Å; I52-D56 PolarHBondContact O-N 3.06Å
53	I	58.1	Low	54.7	Low	99 Å²	99	133.3 Å²	133.3	51%	0.508	62%	0.616	S	S	.	*	H	α-helix	trans	-59.2	-42.3	177.5	-64.2	164.5	0	0	0	112	Y49 K55 D56 E57	Y49-I53 HydrophobicContact CD1-CD1 4.43Å; Y49-I53 VanDerWaalsContact O-CG1 3.25Å; Y49-I53 WeakPolarHBondContact O-CG1 3.24Å; Y49-I53 PolarHBondContact O-N 2.89Å; I53-K55 VanDerWaalsContact C-N 3.32Å; I53-K55 PolarHBondContact O-N 3.47Å; I53-D56 PolarHBondContact O-N 3.02Å; I53-E57 PolarHBondContact O-N 3.19Å
54	K	59	Low	53.4	Low	163 Å²	163	136.3 Å²	136.3	71%	0.709	63%	0.632	S	S	*	*	H	α-helix	trans	-71.6	-19.6	175.7	-81.1	-173.6	172.6	-173.2	0	114.6	R50 I52	R50-K54 VanDerWaalsContact O-CB 3.27Å; R50-K54 WeakPolarHBondContact O-CB 3.33Å; R50-K54 WeakPolarHBondContact O-CG 3.33Å; R50-K54 PolarHBondContact O-N 2.85Å; I52-K54 PolarHBondContact O-N 3.39Å
55	K	52.8	Low	52.1	Low	170 Å²	170	137.9 Å²	137.9	74%	0.739	64%	0.64	S	S	*	*	H	α-helix	trans	-89.7	-24.7	174.3	-82	-177.9	172.2	-172.5	0	112.1	R51 I52 I53	R51-K55 VanDerWaalsContact O-CB 3.28Å; R51-K55 WeakPolarHBondContact O-CB 3.33Å; R51-K55 VanDerWaalsContact O-CG 3.29Å; R51-K55 WeakPolarHBondContact O-CG 3.27Å; R51-K55 PolarHBondContact O-N 3.07Å; R51-K55 VanDerWaalsContact O-N 3.11Å; I52-K55 PolarHBondContact O-N 3.37Å; I53-K55 VanDerWaalsContact C-N 3.32Å; I53-K55 PolarHBondContact O-N 3.47Å
56	D	43.7	Very low	50.9	Low	103 Å²	103	139.2 Å²	139.2	55%	0.551	65%	0.651	S	S	*	*	H	α-helix	trans	-86.8	-10.5	-177.5	-68.9	-19.7	0	0	0	113.9	I52 I53 Y58 K59	I52-D56 VanDerWaalsContact CG2-OD2 3.24Å; I52-D56 WeakPolarHBondContact CG2-OD2 3.49Å; I52-D56 WeakPolarHBondContact O-CB 3.47Å; I52-D56 VanDerWaalsContact O-CG 3.26Å; I52-D56 PolarHBondContact O-N 3.06Å; I53-D56 PolarHBondContact O-N 3.02Å; D56-Y58 PolarHBondContact O-N 3.12Å; D56-K59 PolarHBondContact O-N 3.25Å
57	E	41.1	Very low	49.4	Very low	153 Å²	153	144.5 Å²	144.5	72%	0.715	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	-1.9	172.9	-84.4	-177.7	162	0	0	114.6	I53	I53-E57 PolarHBondContact O-N 3.19Å
58	Y	41.3	Very low	47.8	Very low	210 Å²	210	147.2 Å²	147.2	82%	0.824	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.8	8.7	178.9	-84.9	-83.1	0	0	0	116.2	D56	D56-Y58 PolarHBondContact O-N 3.12Å
59	K	34.4	Very low	46	Very low	159 Å²	159	147.2 Å²	147.2	69%	0.691	69%	0.691	S	S	*	*			trans	-126.6	90	178.1	-78.1	-169.6	172.8	-165.2	0	113.8	D56 S61	D56-K59 PolarHBondContact O-N 3.25Å; K59-S61 PolarHBondContact O-N 3.07Å
60	R	32.1	Very low	44.6	Very low	226 Å²	226	146.9 Å²	146.9	85%	0.853	70%	0.7	S	S	*	*			trans	-20.3	117.6	149.8	-134.5	172.6	-172.8	162.2	0.5	113	E62	R60-E62 PolarHBondContact O-N 3.23Å; R60-E62 VanDerWaalsContact O-N 3.1Å
61	S	30.7	Very low	42.9	Very low	113 Å²	113	144.1 Å²	144.1	79%	0.79	71%	0.706	S	S	*	*			trans	15.5	81.5	149.9	54.1	0	0	0	0	115.8	K59	K59-S61 PolarHBondContact O-N 3.07Å
62	E	37.5	Very low	41.6	Very low	161 Å²	161	145.5 Å²	145.5	75%	0.752	72%	0.716	S	S	*	*			trans	-94.5	131.3	166.1	-84.1	175.1	-176.2	0	0	109.6	R60	R60-E62 PolarHBondContact O-N 3.23Å; R60-E62 VanDerWaalsContact O-N 3.1Å
63	V	35.3	Very low	40.3	Very low	125 Å²	125	146.6 Å²	146.6	76%	0.758	74%	0.738	S	S	*	*			trans	-56.5	139.8	-175.4	174.8	0	0	0	0	111	Q65	V63-Q65 PolarHBondContact O-N 3Å
64	N	38.9	Very low	39.9	Very low	138 Å²	138	149.2 Å²	149.2	74%	0.738	75%	0.748	S	S	*	*			trans	-67.9	96.6	-177.7	-145.6	7.9	0	0	0	110.2	A66	N64-A66 PolarHBondContact O-N 3.41Å; N64-A66 VanDerWaalsContact O-N 3.09Å
65	Q	41.8	Very low	39.6	Very low	152 Å²	152	145.3 Å²	145.3	71%	0.71	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-72.5	11.4	-179.5	-74.2	-175.5	-13.7	0	0	114.7	V63 F67	V63-Q65 PolarHBondContact O-N 3Å; Q65-F67 PolarHBondContact O-N 3Å; Q65-F67 VanDerWaalsContact O-N 3.17Å
66	A	44.5	Very low	40.1	Very low	75 Å²	75	137.8 Å²	137.8	62%	0.62	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-74.2	0.1	179.7	0	0	0	0	0	114.1	N64	N64-A66 PolarHBondContact O-N 3.41Å; N64-A66 VanDerWaalsContact O-N 3.09Å
67	F	39.3	Very low	41.3	Very low	191 Å²	191	136.9 Å²	136.9	84%	0.838	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-136.1	29.3	-175.4	-76.3	-85.2	0	0	0	113.1	Q65	Q65-F67 PolarHBondContact O-N 3Å; Q65-F67 VanDerWaalsContact O-N 3.17Å
68	E	35.8	Very low	42.6	Very low	145 Å²	145	136 Å²	136	68%	0.678	71%	0.706	S	S	*	*			trans	-81.9	132.9	168.1	-72.7	-164.5	179.4	0	0	111.5	D70	E68-D70 VanDerWaalsContact C-N 3.29Å; E68-D70 PolarHBondContact O-N 2.74Å
69	D	33.7	Very low	43.9	Very low	147 Å²	147	126.8 Å²	126.8	79%	0.786	67%	0.67	S	S	*	*			trans	-72.7	68	-167.2	-159.6	10.9	0	0	0	111.4	S71	D69-S71 VanDerWaalsContact C-N 3.27Å; D69-S71 PolarHBondContact O-N 3.48Å; D69-S71 PolarHBondContact O-OG 3.13Å
70	D	36.9	Very low	45.6	Very low	155 Å²	155	121.9 Å²	121.9	83%	0.829	65%	0.654	S	S	*	*			trans	-77.3	84.1	173.9	-97.1	-19.4	0	0	0	110.5	E68 K72	E68-D70 VanDerWaalsContact C-N 3.29Å; E68-D70 PolarHBondContact O-N 2.74Å; D70-K72 PolarHBondContact O-N 2.95Å
71	S	33.4	Very low	47.6	Very low	107 Å²	107	117.8 Å²	117.8	75%	0.748	64%	0.644	S	S	*	*			trans	-69.4	59.4	172.8	35.2	0	0	0	0	112.3	D69	D69-S71 VanDerWaalsContact C-N 3.27Å; D69-S71 PolarHBondContact O-N 3.48Å; D69-S71 PolarHBondContact O-OG 3.13Å
72	K	38.5	Very low	49.6	Very low	182 Å²	182	116 Å²	116	79%	0.791	63%	0.626	S	S	*	*			trans	-129.2	109.4	164.2	-73.2	-178.8	-177.6	170.4	0	109.2	D70 E74	D70-K72 PolarHBondContact O-N 2.95Å; K72-E74 PolarHBondContact O-N 2.83Å
73	A	38.3	Very low	51.3	Low	105 Å²	105	109.4 Å²	109.4	87%	0.868	60%	0.596	S	S	*	*			trans	-62	93.6	-178.6	0	0	0	0	0	111.3	S75	A73-S75 PolarHBondContact O-N 3.48Å
74	E	49.7	Very low	53.1	Low	153 Å²	153	107.1 Å²	107.1	72%	0.715	58%	0.584	S	S	*	*			trans	-77.1	95.6	165.1	-71.1	-177.3	164.1	0	0	108.1	K72 L139	K72-E74 PolarHBondContact O-N 2.83Å; E74-L139 VanDerWaalsContact O-CD1 3.27Å; E74-L139 WeakPolarHBondContact O-CD1 3.36Å; E74-L139 VanDerWaalsContact O-CD2 3.24Å; E74-L139 WeakPolarHBondContact O-CD2 3.49Å
75	S	52.5	Low	54.9	Low	82 Å²	82	106.9 Å²	106.9	57%	0.573	57%	0.574	S	S	*	*			trans	-72.6	133.9	168.6	53.1	0	0	0	0	109.9	A73	A73-S75 PolarHBondContact O-N 3.48Å
76	S	61.7	Low	56.1	Low	12 Å²	12	100.7 Å²	100.7	8%	0.084	55%	0.545	C	S	.	.			trans	-56	120.7	171.7	158.6	0	0	0	0	109.6	E78 L79 T80	S76-E78 PolarHBondContact O-N 3.04Å; S76-L79 PolarHBondContact O-N 2.84Å; S76-L79 PolarHBondContact OG-N 3.08Å; S76-T80 PolarHBondContact O-N 3.43Å; S76-T80 VanDerWaalsContact O-N 3.14Å; S76-T80 PolarHBondContact O-OG1 3.14Å; S76-T80 VanDerWaalsContact O-OG1 3.07Å
77	P	69.2	Low	57.4	Low	84 Å²	84	104.5 Å²	104.5	55%	0.545	54%	0.544	S	S	.	.	H	α-helix	trans	-59.8	-34.8	-179.5	23.3	-32.2	0	0	0	111.5	T80 E81	P77-T80 VanDerWaalsContact C-OG1 3.27Å; P77-T80 VanDerWaalsContact CA-OG1 3.24Å; P77-T80 WeakPolarHBondContact CA-OG1 3.31Å; P77-T80 PolarHBondContact O-N 3.2Å; P77-T80 PolarHBondContact O-OG1 3.09Å; P77-E81 WeakPolarHBondContact O-CB 3.49Å; P77-E81 WeakPolarHBondContact O-CG 3.41Å; P77-E81 PolarHBondContact O-N 3.24Å
78	E	68.5	Low	58.8	Low	135 Å²	135	100.6 Å²	100.6	63%	0.631	54%	0.536	S	S	*	.	H	α-helix	trans	-68.8	-41.8	-178.8	-62	173.2	174.9	0	0	112.3	S76 T80 E81 L82	S76-E78 PolarHBondContact O-N 3.04Å; E78-T80 VanDerWaalsContact C-N 3.35Å; E78-E81 PolarHBondContact O-N 3.22Å; E78-L82 WeakPolarHBondContact O-CB 3.35Å; E78-L82 PolarHBondContact O-N 2.61Å
79	L	69.9	Low	60.2	Low	15 Å²	15	100.1 Å²	100.1	8%	0.079	53%	0.531	C	S	.	.	H	α-helix	trans	-66.4	-40.3	174.5	-168.5	91.1	0	0	0	110.5	S76 L82 L83 F138	S76-L79 PolarHBondContact O-N 2.84Å; S76-L79 PolarHBondContact OG-N 3.08Å; L79-L82 PolarHBondContact O-N 3.08Å; L79-L83 HydrophobicContact CD2-CD1 4.2Å; L79-L83 HydrophobicContact CG-CD1 4.23Å; L79-L83 WeakPolarHBondContact O-CB 3.39Å; L79-L83 VanDerWaalsContact O-CG 3.25Å; L79-L83 WeakPolarHBondContact O-CG 3.38Å; L79-L83 PolarHBondContact O-N 3.34Å; L79-F138 HydrophobicContact CD1-CD2 3.81Å; L79-F138 HydrophobicContact CD1-CE2 4.01Å; L79-F138 HydrophobicContact CD1-CG 4.08Å; L79-F138 HydrophobicContact CD1-CZ 4.45Å
80	T	70.1	Confident	61.4	Low	56 Å²	56	96 Å²	96	34%	0.344	51%	0.508	S	S	.	.	H	α-helix	trans	-67.7	-35.6	175.9	44.1	0	0	0	0	112.8	S76 P77 E78 C84	S76-T80 PolarHBondContact O-N 3.43Å; S76-T80 VanDerWaalsContact O-N 3.14Å; S76-T80 PolarHBondContact O-OG1 3.14Å; S76-T80 VanDerWaalsContact O-OG1 3.07Å; P77-T80 VanDerWaalsContact C-OG1 3.27Å; P77-T80 VanDerWaalsContact CA-OG1 3.24Å; P77-T80 WeakPolarHBondContact CA-OG1 3.31Å; P77-T80 PolarHBondContact O-N 3.2Å; P77-T80 PolarHBondContact O-OG1 3.09Å; E78-T80 VanDerWaalsContact C-N 3.35Å; T80-C84 VanDerWaalsContact O-CB 3.3Å; T80-C84 WeakPolarHBondContact O-CB 3.47Å; T80-C84 PolarHBondContact O-N 3.16Å; T80-C84 PolarHBondContact O-SG 3.3Å
81	E	73.3	Confident	62.1	Low	140 Å²	140	92.7 Å²	92.7	65%	0.654	50%	0.495	S	S	*	.	H	α-helix	trans	-67.5	-42.1	173.1	-81.1	-177.3	179.2	0	0	111.6	P77 E78 C84 Y85	P77-E81 WeakPolarHBondContact O-CB 3.49Å; P77-E81 WeakPolarHBondContact O-CG 3.41Å; P77-E81 PolarHBondContact O-N 3.24Å; E78-E81 PolarHBondContact O-N 3.22Å; E81-C84 PolarHBondContact O-N 3.43Å; E81-Y85 VanDerWaalsContact O-CB 3.27Å; E81-Y85 WeakPolarHBondContact O-CB 3.24Å; E81-Y85 PolarHBondContact O-N 2.69Å
82	L	73.8	Confident	63.1	Low	76 Å²	76	93.5 Å²	93.5	40%	0.398	50%	0.495	S	S	.	.	H	α-helix	trans	-62.7	-45.7	174.4	-177.4	69.8	0	0	0	111.3	E78 L79 C84 Y85 L86	E78-L82 WeakPolarHBondContact O-CB 3.35Å; E78-L82 PolarHBondContact O-N 2.61Å; L79-L82 PolarHBondContact O-N 3.08Å; L82-C84 VanDerWaalsContact C-N 3.34Å; L82-C84 PolarHBondContact O-N 3.11Å; L82-Y85 PolarHBondContact O-N 2.79Å; L82-L86 HydrophobicContact CD1-CD1 4.3Å; L82-L86 HydrophobicContact CD1-CG 4.43Å; L82-L86 HydrophobicContact CG-CD1 3.95Å; L82-L86 HydrophobicContact CG-CG 4.45Å; L82-L86 WeakPolarHBondContact O-CB 3.35Å; L82-L86 WeakPolarHBondContact O-CG 3.26Å; L82-L86 PolarHBondContact O-N 3.29Å
83	L	72.9	Confident	63.3	Low	23 Å²	23	90.2 Å²	90.2	12%	0.12	49%	0.493	C	S	.	.	H	α-helix	trans	-62.5	-40.3	175.9	-76.8	170.1	0	0	0	111.6	L79 R87 L129	L79-L83 HydrophobicContact CD2-CD1 4.2Å; L79-L83 HydrophobicContact CG-CD1 4.23Å; L79-L83 WeakPolarHBondContact O-CB 3.39Å; L79-L83 VanDerWaalsContact O-CG 3.25Å; L79-L83 WeakPolarHBondContact O-CG 3.38Å; L79-L83 PolarHBondContact O-N 3.34Å; L83-R87 WeakPolarHBondContact O-CB 3.23Å; L83-R87 VanDerWaalsContact O-CG 3.23Å; L83-R87 WeakPolarHBondContact O-CG 3.48Å; L83-R87 PolarHBondContact O-N 2.82Å; L83-L129 HydrophobicContact CD2-CB 3.71Å
84	C	72.3	Confident	63.2	Low	76 Å²	76	95.9 Å²	95.9	51%	0.514	49%	0.491	S	S	.	.	H	α-helix	trans	-64.5	-45.1	173.2	-78.8	0	0	0	0	111.7	T80 E81 L82 R87 T88	T80-C84 VanDerWaalsContact O-CB 3.3Å; T80-C84 WeakPolarHBondContact O-CB 3.47Å; T80-C84 PolarHBondContact O-N 3.16Å; T80-C84 PolarHBondContact O-SG 3.3Å; E81-C84 PolarHBondContact O-N 3.43Å; L82-C84 VanDerWaalsContact C-N 3.34Å; L82-C84 PolarHBondContact O-N 3.11Å; C84-R87 PolarHBondContact O-N 3.09Å; C84-T88 WeakPolarHBondContact O-CG2 3.3Å; C84-T88 PolarHBondContact O-N 3.39Å
85	Y	76.3	Confident	62.6	Low	134 Å²	134	97.1 Å²	97.1	53%	0.525	50%	0.497	S	S	.	.	H	α-helix	trans	-60.4	-47.7	177.9	178.9	-95.7	0	0	0	111.7	E81 L82 R87 T88 K89	E81-Y85 VanDerWaalsContact O-CB 3.27Å; E81-Y85 WeakPolarHBondContact O-CB 3.24Å; E81-Y85 PolarHBondContact O-N 2.69Å; L82-Y85 PolarHBondContact O-N 2.79Å; Y85-R87 VanDerWaalsContact C-N 3.32Å; Y85-R87 PolarHBondContact O-N 3.19Å; Y85-T88 PolarHBondContact O-N 2.58Å; Y85-T88 VanDerWaalsContact O-N 3.09Å; Y85-T88 PolarHBondContact O-OG1 3.29Å; Y85-K89 HydrophobicContact CE1-CG 4.23Å; Y85-K89 PolarHBondContact O-N 3.13Å; Y85-K89 WeakPolarHBondContact OH-CE 3.41Å
86	L	68.3	Low	61.8	Low	22 Å²	22	101.4 Å²	101.4	12%	0.115	51%	0.508	C	S	.	.	H	α-helix	trans	-63.1	-38.5	178.1	-70.2	171.1	0	0	0	111.7	L82 T88 K89 W122 L125 L126 L129	L82-L86 HydrophobicContact CD1-CD1 4.3Å; L82-L86 HydrophobicContact CD1-CG 4.43Å; L82-L86 HydrophobicContact CG-CD1 3.95Å; L82-L86 HydrophobicContact CG-CG 4.45Å; L82-L86 WeakPolarHBondContact O-CB 3.35Å; L82-L86 WeakPolarHBondContact O-CG 3.26Å; L82-L86 PolarHBondContact O-N 3.29Å; L86-T88 VanDerWaalsContact C-N 3.3Å; L86-T88 PolarHBondContact O-N 3.35Å; L86-K89 PolarHBondContact O-N 3.42Å; L86-W122 HydrophobicContact CD2-CZ3 4.01Å; L86-L125 HydrophobicContact CD1-CD2 4.26Å; L86-L125 HydrophobicContact CD2-CD2 4.32Å; L86-L126 HydrophobicContact CB-CD2 4.49Å; L86-L129 HydrophobicContact CD1-CD1 3.3Å
87	R	70.1	Confident	60.5	Low	155 Å²	155	109.1 Å²	109.1	59%	0.585	54%	0.54	S	S	*	.	H	α-helix	trans	-63.9	-32.4	173.5	-76.3	174.2	-179.4	179.5	1.7	113.2	L83 C84 Y85 K89 L126	L83-R87 WeakPolarHBondContact O-CB 3.23Å; L83-R87 VanDerWaalsContact O-CG 3.23Å; L83-R87 WeakPolarHBondContact O-CG 3.48Å; L83-R87 PolarHBondContact O-N 2.82Å; C84-R87 PolarHBondContact O-N 3.09Å; Y85-R87 VanDerWaalsContact C-N 3.32Å; Y85-R87 PolarHBondContact O-N 3.19Å; R87-K89 VanDerWaalsContact C-N 3.3Å; R87-K89 PolarHBondContact O-N 3.45Å; R87-L126 HydrophobicContact CG-CD2 4.05Å
88	T	70.2	Confident	58.9	Low	109 Å²	109	112.8 Å²	112.8	67%	0.669	55%	0.55	S	S	*	.	H	α-helix	trans	-75.3	-15.9	176.9	60.6	0	0	0	0	114.4	C84 Y85 L86	C84-T88 WeakPolarHBondContact O-CG2 3.3Å; C84-T88 PolarHBondContact O-N 3.39Å; Y85-T88 PolarHBondContact O-N 2.58Å; Y85-T88 VanDerWaalsContact O-N 3.09Å; Y85-T88 PolarHBondContact O-OG1 3.29Å; L86-T88 VanDerWaalsContact C-N 3.3Å; L86-T88 PolarHBondContact O-N 3.35Å
89	K	63.8	Low	57.2	Low	134 Å²	134	112.8 Å²	112.8	58%	0.583	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-0.7	-180	-75.5	-74.1	-176.4	176.2	0	113.9	Y85 L86 R87	Y85-K89 HydrophobicContact CE1-CG 4.23Å; Y85-K89 PolarHBondContact O-N 3.13Å; Y85-K89 WeakPolarHBondContact OH-CE 3.41Å; L86-K89 PolarHBondContact O-N 3.42Å; R87-K89 VanDerWaalsContact C-N 3.3Å; R87-K89 PolarHBondContact O-N 3.45Å
90	M	59.2	Low	55.5	Low	62 Å²	62	120.7 Å²	120.7	31%	0.305	59%	0.588	S	S	.	*	S	Bend	trans	-70.1	133.6	176.5	-76	-81.6	-76	0	0	111.9	V92 W122 L126	M90-V92 PolarHBondContact O-N 3.25Å; M90-W122 HydrophobicContact SD-CB 4.05Å; M90-L126 HydrophobicContact CG-CD1 4.35Å; M90-L126 HydrophobicContact SD-CD1 4.06Å
91	P	52.7	Low	53.8	Low	85 Å²	85	125.6 Å²	125.6	55%	0.552	61%	0.605	S	S	*	*			trans	-73.3	109	166.1	28.5	-27.5	0	0	0	108.9	T119	P91-T119 HydrophobicContact CG-CG2 4.33Å
92	V	53.4	Low	52	Low	124 Å²	124	126.2 Å²	126.2	75%	0.752	61%	0.608	S	S	*	*			trans	-71.2	125.7	171.9	178.4	0	0	0	0	108.7	M90 R94	M90-V92 PolarHBondContact O-N 3.25Å; V92-R94 PolarHBondContact O-N 3.44Å
93	P	43.8	Very low	50.4	Low	113 Å²	113	127.6 Å²	127.6	73%	0.734	62%	0.624	S	S	*	*			trans	-65.2	118.5	169.2	-10.9	25.1	0	0	0	108.5	E95	P93-E95 PolarHBondContact O-N 2.87Å
94	R	36.6	Very low	48.5	Very low	223 Å²	223	131.3 Å²	131.3	84%	0.842	65%	0.652	S	S	*	*			trans	-69.2	109.7	173.4	-82.6	-178	176.3	168	0.2	109.2	V92 E96	V92-R94 PolarHBondContact O-N 3.44Å; R94-E96 PolarHBondContact O-N 2.92Å; R94-E96 VanDerWaalsContact O-N 3.08Å
95	E	35.5	Very low	46.7	Very low	180 Å²	180	134.8 Å²	134.8	84%	0.841	67%	0.665	S	S	*	*			trans	-68.2	96.4	160.9	-69.6	-174.2	165.6	0	0	109.3	P93 K97	P93-E95 PolarHBondContact O-N 2.87Å; E95-K97 PolarHBondContact O-N 3.3Å
96	E	35.9	Very low	45.1	Very low	172 Å²	172	134.8 Å²	134.8	80%	0.804	68%	0.679	S	S	*	*			trans	-80.4	105.2	165.6	-77	-170.9	175.4	0	0	109.9	R94	R94-E96 PolarHBondContact O-N 2.92Å; R94-E96 VanDerWaalsContact O-N 3.08Å
97	K	35.2	Very low	43.6	Very low	174 Å²	174	139.4 Å²	139.4	76%	0.757	71%	0.708	S	S	*	*			trans	-65.3	125.8	166.9	-72.4	179.8	176.7	177.7	0	110.5	E95	E95-K97 PolarHBondContact O-N 3.3Å
98	E	34.2	Very low	42.2	Very low	160 Å²	160	139.9 Å²	139.9	75%	0.748	72%	0.721	S	S	*	*			trans	72.5	118.7	136.2	-67.9	-178.5	-172	0	0	120
99	N	33.1	Very low	40.7	Very low	135 Å²	135	139.3 Å²	139.3	72%	0.722	72%	0.72	S	S	*	*			trans	89	111.6	133.6	-71.7	-32.6	0	0	0	120.2
100	K	35.7	Very low	39.2	Very low	181 Å²	181	138.9 Å²	138.9	79%	0.787	73%	0.728	S	S	*	*			trans	104.8	112.2	134	-74.6	179	174.7	175.7	0	119.1
101	F	33.6	Very low	38.3	Very low	159 Å²	159	142.6 Å²	142.6	70%	0.697	75%	0.749	S	S	*	*				81.8	102.5	127.7	-91.3	-108.8	0	0	0	119.8
102	Q	36.4	Very low	37.8	Very low	153 Å²	153	146.6 Å²	146.6	72%	0.715	76%	0.761	S	S	*	*				72.9	120.4	121.1	-71.9	-178.5	-4.9	0	0	120.6
103	S	38.4	Very low	37.5	Very low	106 Å²	106	146.4 Å²	146.4	74%	0.741	76%	0.76	S	S	*	*			trans	84.8	110.8	137.6	58.7	0	0	0	0	120.6
104	S	34.8	Very low	37.7	Very low	100 Å²	100	145.5 Å²	145.5	70%	0.699	75%	0.753	S	S	*	*				89.9	118.8	124	63.8	0	0	0	0	120
105	D	33.6	Very low	38.2	Very low	150 Å²	150	140.3 Å²	140.3	80%	0.802	74%	0.741	S	S	*	*			trans	70.5	112.7	144	-61.1	-16.9	0	0	0	118.8
106	V	42.3	Very low	39.1	Very low	133 Å²	133	136.9 Å²	136.9	81%	0.806	73%	0.728	S	S	*	*				167.8	114.2	111.5	163.3	0	0	0	0	109.9
107	T	36.6	Very low	40.1	Very low	120 Å²	120	133.6 Å²	133.6	74%	0.736	72%	0.716	S	S	*	*			trans	5.8	138.3	153.8	35.2	0	0	0	0	123.2
108	L	41.3	Very low	41.4	Very low	164 Å²	164	130.9 Å²	130.9	86%	0.859	71%	0.706	S	S	*	*			trans	129.8	151	140.9	-79.8	154.8	0	0	0	116
109	P	38.4	Very low	42.9	Very low	98 Å²	98	125.4 Å²	125.4	64%	0.636	68%	0.683	S	S	*	*				-125	164.3	-110.7	43.4	-30.5	0	0	0	116.8
110	T	32.7	Very low	44.7	Very low	124 Å²	124	125.3 Å²	125.3	76%	0.761	68%	0.679	S	S	*	*			trans	38.3	99.1	145.9	58.3	0	0	0	0	119.2
111	N	40.5	Very low	46.4	Very low	140 Å²	140	122.6 Å²	122.6	75%	0.749	67%	0.669	S	S	*	*			trans	-163.3	31	156.6	-111.2	4.4	0	0	0	114.4
112	E	42.6	Very low	48.1	Very low	170 Å²	170	120.2 Å²	120.2	79%	0.794	66%	0.655	S	S	*	*			trans	-90.1	-8.1	-173.3	-70.7	-177.4	162.2	0	0	114.7
113	T	46.9	Very low	49.9	Very low	119 Å²	119	118.1 Å²	118.1	73%	0.73	65%	0.646	S	S	*	*	S	Bend	trans	-86.8	-9	-173.5	-11.2	0	0	0	0	115.7
114	T	47.2	Very low	51.9	Low	95 Å²	95	121 Å²	121	58%	0.583	64%	0.64	S	S	*	*	S	Bend	trans	-89.6	-19.7	-178.3	40.1	0	0	0	0	114.2
115	L	47.6	Very low	53.9	Low	113 Å²	113	118.9 Å²	118.9	59%	0.592	62%	0.621	S	S	*	*	H	α-helix	trans	-77.6	-32	-177	-79.1	155	0	0	0	112.6	L117 E118 T119	L115-L117 PolarHBondContact O-N 3.2Å; L115-E118 PolarHBondContact O-N 3.24Å; L115-T119 PolarHBondContact O-N 3.41Å; L115-T119 PolarHBondContact O-OG1 3.4Å
116	D	54.4	Low	56	Low	108 Å²	108	113 Å²	113	58%	0.578	59%	0.589	S	S	*	*	H	α-helix	trans	-69.1	-32.2	-178.2	-70.9	-18.4	0	0	0	112.9	T119 E120	D116-T119 WeakPolarHBondContact CA-OG1 3.34Å; D116-T119 PolarHBondContact O-N 3.25Å; D116-T119 PolarHBondContact O-OG1 3.45Å; D116-E120 PolarHBondContact O-N 3.35Å
117	L	57.4	Low	57.8	Low	104 Å²	104	112.3 Å²	112.3	55%	0.545	58%	0.581	S	S	.	*	H	α-helix	trans	-69.5	-33.2	178.4	-100.4	114.9	0	0	0	113.1	L115 Q121	L115-L117 PolarHBondContact O-N 3.2Å; L117-Q121 WeakPolarHBondContact O-CG 3.35Å; L117-Q121 PolarHBondContact O-N 3Å
118	E	61.6	Low	59.9	Low	116 Å²	116	109.4 Å²	109.4	54%	0.542	56%	0.563	S	S	.	*	H	α-helix	trans	-71.8	-40.5	177.9	-67.8	-174.5	168.8	0	0	110.3	L115 E120 Q121 W122	L115-E118 PolarHBondContact O-N 3.24Å; E118-E120 PolarHBondContact O-N 3.24Å; E118-Q121 PolarHBondContact O-N 2.98Å; E118-W122 PolarHBondContact O-N 3.24Å; E118-W122 VanDerWaalsContact O-N 3.11Å
119	T	66.6	Low	61.5	Low	45 Å²	45	102.9 Å²	102.9	28%	0.276	53%	0.529	S	S	.	.	H	α-helix	trans	-62.6	-40.6	176.3	32.4	0	0	0	0	113.3	P91 L115 D116 Q121 W122 E123	P91-T119 HydrophobicContact CG-CG2 4.33Å; L115-T119 PolarHBondContact O-N 3.41Å; L115-T119 PolarHBondContact O-OG1 3.4Å; D116-T119 WeakPolarHBondContact CA-OG1 3.34Å; D116-T119 PolarHBondContact O-N 3.25Å; D116-T119 PolarHBondContact O-OG1 3.45Å; T119-Q121 VanDerWaalsContact C-N 3.34Å; T119-Q121 PolarHBondContact O-N 2.98Å; T119-W122 PolarHBondContact O-N 3.04Å; T119-E123 WeakPolarHBondContact O-CG 3.28Å; T119-E123 PolarHBondContact O-N 3.19Å
120	E	69.6	Low	63.3	Low	134 Å²	134	100.9 Å²	100.9	63%	0.626	52%	0.517	S	S	*	.	H	α-helix	trans	-63.4	-38	175.5	-74.8	-174.7	172.1	0	0	112.5	D116 E118 E123 W124	D116-E120 PolarHBondContact O-N 3.35Å; E118-E120 PolarHBondContact O-N 3.24Å; E120-E123 PolarHBondContact O-N 3.43Å; E120-W124 WeakPolarHBondContact O-CB 3.47Å; E120-W124 PolarHBondContact O-N 3.45Å
121	Q	71.3	Confident	65.7	Low	124 Å²	124	98 Å²	98	58%	0.579	50%	0.497	S	S	*	.	H	α-helix	trans	-66.9	-39.3	177.4	-72.3	176.5	11.6	0	0	112.2	L117 E118 T119 L125	L117-Q121 WeakPolarHBondContact O-CG 3.35Å; L117-Q121 PolarHBondContact O-N 3Å; E118-Q121 PolarHBondContact O-N 2.98Å; T119-Q121 VanDerWaalsContact C-N 3.34Å; T119-Q121 PolarHBondContact O-N 2.98Å; Q121-L125 WeakPolarHBondContact O-CB 2.97Å; Q121-L125 PolarHBondContact O-N 2.91Å
122	W	70.9	Confident	67.6	Low	108 Å²	108	95.2 Å²	95.2	41%	0.409	49%	0.486	S	S	.	.	H	α-helix	trans	-67.9	-40.2	175.4	-71.9	114.9	0	0	0	112.3	L86 M90 E118 T119 L125 L126	L86-W122 HydrophobicContact CD2-CZ3 4.01Å; M90-W122 HydrophobicContact SD-CB 4.05Å; E118-W122 PolarHBondContact O-N 3.24Å; E118-W122 VanDerWaalsContact O-N 3.11Å; T119-W122 PolarHBondContact O-N 3.04Å; W122-L125 HydrophobicContact CE3-CD2 4.07Å; W122-L125 HydrophobicContact CZ3-CD2 4.02Å; W122-L125 PolarHBondContact O-N 2.88Å; W122-L126 WeakPolarHBondContact O-CB 3.46Å; W122-L126 WeakPolarHBondContact O-CG 3.43Å; W122-L126 PolarHBondContact O-N 3.32Å
123	E	72.5	Confident	69.4	Low	110 Å²	110	92.1 Å²	92.1	51%	0.514	48%	0.475	S	S	.	.	H	α-helix	trans	-64.3	-41.8	174.3	-76.5	-170.7	168.5	0	0	112.1	T119 E120 L126 N127	T119-E123 WeakPolarHBondContact O-CG 3.28Å; T119-E123 PolarHBondContact O-N 3.19Å; E120-E123 PolarHBondContact O-N 3.43Å; E123-L126 PolarHBondContact O-N 3.39Å; E123-N127 WeakPolarHBondContact O-CB 3.44Å; E123-N127 VanDerWaalsContact O-CG 3.32Å; E123-N127 PolarHBondContact O-N 2.87Å; E123-N127 PolarHBondContact O-ND2 3.36Å
124	W	81.7	Confident	71	Confident	165 Å²	165	89 Å²	89	63%	0.625	45%	0.454	S	S	*	.	H	α-helix	trans	-60.2	-48	173.6	175.7	85	0	0	0	111.9	E120 L126 N127 V128	E120-W124 WeakPolarHBondContact O-CB 3.47Å; E120-W124 PolarHBondContact O-N 3.45Å; W124-L126 VanDerWaalsContact C-N 3.33Å; W124-L126 PolarHBondContact O-N 3.26Å; W124-N127 WeakPolarHBondContact O-CB 3.38Å; W124-N127 PolarHBondContact O-N 3.05Å; W124-N127 VanDerWaalsContact O-N 3.16Å; W124-V128 HydrophobicContact CD2-CG2 4.11Å; W124-V128 HydrophobicContact CH2-CG2 4.25Å; W124-V128 HydrophobicContact CZ2-CG2 3.79Å; W124-V128 WeakPolarHBondContact O-CG2 3.3Å; W124-V128 PolarHBondContact O-N 3.11Å
125	L	77	Confident	72.4	Confident	57 Å²	57	86.3 Å²	86.3	30%	0.298	44%	0.439	S	S	.	.	H	α-helix	trans	-60.5	-42.8	178.6	-170.2	89	0	0	0	111.4	L86 Q121 W122 N127 V128 L129	L86-L125 HydrophobicContact CD1-CD2 4.26Å; L86-L125 HydrophobicContact CD2-CD2 4.32Å; Q121-L125 WeakPolarHBondContact O-CB 2.97Å; Q121-L125 PolarHBondContact O-N 2.91Å; W122-L125 HydrophobicContact CE3-CD2 4.07Å; W122-L125 HydrophobicContact CZ3-CD2 4.02Å; W122-L125 PolarHBondContact O-N 2.88Å; L125-N127 VanDerWaalsContact C-N 3.35Å; L125-V128 PolarHBondContact O-N 3.33Å; L125-L129 HydrophobicContact CD2-CD1 4.11Å; L125-L129 HydrophobicContact CG-CD1 3.96Å; L125-L129 WeakPolarHBondContact O-CB 3.29Å; L125-L129 WeakPolarHBondContact O-CG 3.39Å; L125-L129 PolarHBondContact O-N 3.23Å
126	L	77.7	Confident	73.9	Confident	25 Å²	25	87.5 Å²	87.5	13%	0.131	44%	0.439	C	S	.	.	H	α-helix	trans	-63.5	-39.5	175.7	-84.4	163	0	0	0	111.8	L86 R87 M90 W122 E123 W124 S130	L86-L126 HydrophobicContact CB-CD2 4.49Å; R87-L126 HydrophobicContact CG-CD2 4.05Å; M90-L126 HydrophobicContact CG-CD1 4.35Å; M90-L126 HydrophobicContact SD-CD1 4.06Å; W122-L126 WeakPolarHBondContact O-CB 3.46Å; W122-L126 WeakPolarHBondContact O-CG 3.43Å; W122-L126 PolarHBondContact O-N 3.32Å; E123-L126 PolarHBondContact O-N 3.39Å; W124-L126 VanDerWaalsContact C-N 3.33Å; W124-L126 PolarHBondContact O-N 3.26Å; L126-S130 WeakPolarHBondContact O-CB 3.33Å; L126-S130 PolarHBondContact O-N 3.42Å; L126-S130 PolarHBondContact O-OG 2.95Å
127	N	79	Confident	75.1	Confident	120 Å²	120	84.8 Å²	84.8	64%	0.642	43%	0.432	S	S	*	.	H	α-helix	trans	-65.4	-40.7	175.8	-77.3	-28.3	0	0	0	112.1	E123 W124 L125 D131	E123-N127 WeakPolarHBondContact O-CB 3.44Å; E123-N127 VanDerWaalsContact O-CG 3.32Å; E123-N127 PolarHBondContact O-N 2.87Å; E123-N127 PolarHBondContact O-ND2 3.36Å; W124-N127 WeakPolarHBondContact O-CB 3.38Å; W124-N127 PolarHBondContact O-N 3.05Å; W124-N127 VanDerWaalsContact O-N 3.16Å; L125-N127 VanDerWaalsContact C-N 3.35Å; N127-D131 PolarHBondContact O-N 3.48Å
128	V	81.1	Confident	76.1	Confident	59 Å²	59	83.9 Å²	83.9	36%	0.358	42%	0.424	S	S	.	.	H	α-helix	trans	-66.4	-47.2	176.2	173.5	0	0	0	0	111.1	W124 L125 S130 D131 L134	W124-V128 HydrophobicContact CD2-CG2 4.11Å; W124-V128 HydrophobicContact CH2-CG2 4.25Å; W124-V128 HydrophobicContact CZ2-CG2 3.79Å; W124-V128 WeakPolarHBondContact O-CG2 3.3Å; W124-V128 PolarHBondContact O-N 3.11Å; L125-V128 PolarHBondContact O-N 3.33Å; V128-S130 VanDerWaalsContact C-N 3.28Å; V128-S130 PolarHBondContact O-N 3.01Å; V128-D131 WeakPolarHBondContact O-CB 3.34Å; V128-D131 PolarHBondContact O-N 3.17Å; V128-L134 HydrophobicContact CG1-CD2 4.48Å; V128-L134 VanDerWaalsContact O-CD2 3.32Å; V128-L134 WeakPolarHBondContact O-CD2 3.34Å
129	L	74.7	Confident	77	Confident	27 Å²	27	80.8 Å²	80.8	14%	0.141	41%	0.411	C	S	.	.	H	α-helix	trans	-71.2	-23.1	-179.2	-68.7	173.6	0	0	0	113.3	L83 L86 L125 D131 L134	L83-L129 HydrophobicContact CD2-CB 3.71Å; L86-L129 HydrophobicContact CD1-CD1 3.3Å; L125-L129 HydrophobicContact CD2-CD1 4.11Å; L125-L129 HydrophobicContact CG-CD1 3.96Å; L125-L129 WeakPolarHBondContact O-CB 3.29Å; L125-L129 WeakPolarHBondContact O-CG 3.39Å; L125-L129 PolarHBondContact O-N 3.23Å; L129-D131 VanDerWaalsContact C-N 3.33Å; L129-L134 HydrophobicContact CD2-CD2 4Å
130	S	76.6	Confident	77.6	Confident	55 Å²	55	85 Å²	85	39%	0.385	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-1	174.9	-55.8	0	0	0	0	113.3	L126 V128 P132	L126-S130 WeakPolarHBondContact O-CB 3.33Å; L126-S130 PolarHBondContact O-N 3.42Å; L126-S130 PolarHBondContact O-OG 2.95Å; V128-S130 VanDerWaalsContact C-N 3.28Å; V128-S130 PolarHBondContact O-N 3.01Å; S130-P132 WeakPolarHBondContact O-CD 3.48Å
131	D	82.4	Confident	78.2	Confident	65 Å²	65	84.6 Å²	84.6	35%	0.348	43%	0.427	S	S	.	.			trans	-63.4	121.9	178.8	-173.2	-14.7	0	0	0	110.2	N127 V128 L129 N133 L134 S135	N127-D131 PolarHBondContact O-N 3.48Å; V128-D131 WeakPolarHBondContact O-CB 3.34Å; V128-D131 PolarHBondContact O-N 3.17Å; L129-D131 VanDerWaalsContact C-N 3.33Å; D131-N133 PolarHBondContact O-N 3.24Å; D131-N133 VanDerWaalsContact O-N 3.16Å; D131-N133 WeakPolarHBondContact OD1-CB 3.22Å; D131-N133 PolarHBondContact OD1-N 2.66Å; D131-L134 HydrophobicContact CB-CB 4.09Å; D131-L134 PolarHBondContact O-N 3.38Å; D131-S135 PolarHBondContact O-N 3.19Å; D131-S135 VanDerWaalsContact O-N 3.1Å
132	P	80.3	Confident	78.6	Confident	80 Å²	80	82.1 Å²	82.1	52%	0.519	42%	0.418	S	S	.	.	H	α-helix	trans	-59.3	-25	176.6	24.2	-35	0	0	0	113.2	S130 S135 K136	S130-P132 WeakPolarHBondContact O-CD 3.48Å; P132-S135 WeakPolarHBondContact CA-OG 3.46Å; P132-S135 PolarHBondContact O-OG 3.24Å; P132-K136 WeakPolarHBondContact O-CG 3.41Å; P132-K136 PolarHBondContact O-N 2.89Å
133	N	80.2	Confident	79	Confident	105 Å²	105	84 Å²	84	56%	0.561	43%	0.429	S	S	*	.	H	α-helix	trans	-72.9	-37.3	174.6	-64.3	-37.7	0	0	0	111.9	D131 K136 A137	D131-N133 PolarHBondContact O-N 3.24Å; D131-N133 VanDerWaalsContact O-N 3.16Å; D131-N133 WeakPolarHBondContact OD1-CB 3.22Å; D131-N133 PolarHBondContact OD1-N 2.66Å; N133-K136 PolarHBondContact O-N 3.39Å; N133-A137 WeakPolarHBondContact O-CB 3.32Å; N133-A137 PolarHBondContact O-N 3.48Å
134	L	81.2	Confident	79.4	Confident	53 Å²	53	83.1 Å²	83.1	28%	0.277	43%	0.431	S	S	.	.	H	α-helix	trans	-68.3	-40.5	176.9	-173.1	70.8	0	0	0	111.2	V128 L129 D131 K136 A137 F138	V128-L134 HydrophobicContact CG1-CD2 4.48Å; V128-L134 VanDerWaalsContact O-CD2 3.32Å; V128-L134 WeakPolarHBondContact O-CD2 3.34Å; L129-L134 HydrophobicContact CD2-CD2 4Å; D131-L134 HydrophobicContact CB-CB 4.09Å; D131-L134 PolarHBondContact O-N 3.38Å; L134-K136 VanDerWaalsContact C-N 3.33Å; L134-K136 PolarHBondContact O-N 3.36Å; L134-A137 WeakPolarHBondContact O-CB 3.5Å; L134-A137 PolarHBondContact O-N 2.67Å; L134-A137 VanDerWaalsContact O-N 3.13Å; L134-F138 HydrophobicContact CG-CD2 4.28Å; L134-F138 PolarHBondContact O-N 3.45Å
135	S	77.2	Confident	79.3	Confident	39 Å²	39	76.8 Å²	76.8	27%	0.273	41%	0.414	S	S	.	.	H	α-helix	trans	-62.4	-40.3	175.3	64.4	0	0	0	0	112.2	D131 P132 F138 L139	D131-S135 PolarHBondContact O-N 3.19Å; D131-S135 VanDerWaalsContact O-N 3.1Å; P132-S135 WeakPolarHBondContact CA-OG 3.46Å; P132-S135 PolarHBondContact O-OG 3.24Å; S135-F138 PolarHBondContact O-N 3.37Å; S135-L139 WeakPolarHBondContact O-CG 3.48Å; S135-L139 PolarHBondContact O-N 3.02Å
136	K	78.7	Confident	79.5	Confident	138 Å²	138	81.2 Å²	81.2	60%	0.6	43%	0.431	S	S	*	.	H	α-helix	trans	-62.9	-40	171.3	-71.9	172.8	-175.9	176.8	0	112.3	P132 N133 L134 L139 M140	P132-K136 WeakPolarHBondContact O-CG 3.41Å; P132-K136 PolarHBondContact O-N 2.89Å; N133-K136 PolarHBondContact O-N 3.39Å; L134-K136 VanDerWaalsContact C-N 3.33Å; L134-K136 PolarHBondContact O-N 3.36Å; K136-L139 PolarHBondContact O-N 3.25Å; K136-M140 WeakPolarHBondContact O-CB 3.29Å; K136-M140 PolarHBondContact O-N 3.45Å
137	A	79.3	Confident	79.5	Confident	52 Å²	52	82.9 Å²	82.9	43%	0.43	45%	0.448	S	S	.	.	H	α-helix	trans	-65	-40.4	176.4	0	0	0	0	0	112.1	N133 L134 M140 H141	N133-A137 WeakPolarHBondContact O-CB 3.32Å; N133-A137 PolarHBondContact O-N 3.48Å; L134-A137 WeakPolarHBondContact O-CB 3.5Å; L134-A137 PolarHBondContact O-N 2.67Å; L134-A137 VanDerWaalsContact O-N 3.13Å; A137-M140 PolarHBondContact O-N 2.85Å; A137-H141 WeakPolarHBondContact O-CB 3.5Å; A137-H141 PolarHBondContact O-N 3.3Å
138	F	79	Confident	79.3	Confident	85 Å²	85	79.7 Å²	79.7	37%	0.373	43%	0.427	S	S	.	.	H	α-helix	trans	-62.9	-43.8	173.4	-107.5	-82.5	0	0	0	112.2	L79 L134 S135 M140 H141 D142	L79-F138 HydrophobicContact CD1-CD2 3.81Å; L79-F138 HydrophobicContact CD1-CE2 4.01Å; L79-F138 HydrophobicContact CD1-CG 4.08Å; L79-F138 HydrophobicContact CD1-CZ 4.45Å; L134-F138 HydrophobicContact CG-CD2 4.28Å; L134-F138 PolarHBondContact O-N 3.45Å; S135-F138 PolarHBondContact O-N 3.37Å; F138-M140 VanDerWaalsContact C-N 3.31Å; F138-M140 PolarHBondContact O-N 3.01Å; F138-H141 PolarHBondContact O-N 2.87Å; F138-D142 WeakPolarHBondContact O-CB 3.32Å; F138-D142 PolarHBondContact O-N 3.12Å
139	L	79.6	Confident	79	Confident	51 Å²	51	81.8 Å²	81.8	27%	0.267	43%	0.433	S	S	.	.	H	α-helix	trans	-62.7	-38.7	174.9	-73	169.9	0	0	0	112.2	E74 S135 K136 K143	E74-L139 VanDerWaalsContact O-CD1 3.27Å; E74-L139 WeakPolarHBondContact O-CD1 3.36Å; E74-L139 VanDerWaalsContact O-CD2 3.24Å; E74-L139 WeakPolarHBondContact O-CD2 3.49Å; S135-L139 WeakPolarHBondContact O-CG 3.48Å; S135-L139 PolarHBondContact O-N 3.02Å; K136-L139 PolarHBondContact O-N 3.25Å; L139-K143 WeakPolarHBondContact O-CB 3.37Å; L139-K143 WeakPolarHBondContact O-CG 3.42Å; L139-K143 PolarHBondContact O-N 3.07Å
140	M	79.1	Confident	79.2	Confident	133 Å²	133	84.3 Å²	84.3	66%	0.655	45%	0.45	S	S	*	.	H	α-helix	trans	-64.4	-47.5	174.3	-178.2	178.4	172.1	0	0	111	K136 A137 F138 D142 K143 V144	K136-M140 WeakPolarHBondContact O-CB 3.29Å; K136-M140 PolarHBondContact O-N 3.45Å; A137-M140 PolarHBondContact O-N 2.85Å; F138-M140 VanDerWaalsContact C-N 3.31Å; F138-M140 PolarHBondContact O-N 3.01Å; M140-D142 PolarHBondContact O-N 2.84Å; M140-K143 PolarHBondContact O-N 2.88Å; M140-V144 WeakPolarHBondContact O-CB 3.35Å; M140-V144 VanDerWaalsContact O-CG2 3.24Å; M140-V144 WeakPolarHBondContact O-CG2 3.18Å; M140-V144 PolarHBondContact O-N 2.9Å
141	H	83	Confident	79.1	Confident	125 Å²	125	84.3 Å²	84.3	58%	0.579	45%	0.449	S	S	*	.	H	α-helix	trans	-57	-48.7	175.8	171.6	-85.1	0	0	0	111.4	A137 F138 K143 V144 A145	A137-H141 WeakPolarHBondContact O-CB 3.5Å; A137-H141 PolarHBondContact O-N 3.3Å; F138-H141 PolarHBondContact O-N 2.87Å; H141-K143 PolarHBondContact O-N 3.12Å; H141-V144 PolarHBondContact O-N 2.76Å; H141-A145 VanDerWaalsContact O-CB 3.28Å; H141-A145 WeakPolarHBondContact O-CB 3.42Å; H141-A145 PolarHBondContact O-N 3.35Å
142	D	78.8	Confident	78.5	Confident	73 Å²	73	83 Å²	83	39%	0.39	44%	0.44	S	S	.	.	H	α-helix	trans	-64.2	-41.8	-179.1	-171.3	38.9	0	0	0	112	F138 M140 V144 A145 K146	F138-D142 WeakPolarHBondContact O-CB 3.32Å; F138-D142 PolarHBondContact O-N 3.12Å; M140-D142 PolarHBondContact O-N 2.84Å; D142-V144 VanDerWaalsContact C-N 3.35Å; D142-V144 PolarHBondContact O-N 3.32Å; D142-A145 PolarHBondContact O-N 3.49Å; D142-K146 WeakPolarHBondContact O-CB 3.46Å; D142-K146 PolarHBondContact O-N 2.86Å
143	K	80.9	Confident	78.1	Confident	147 Å²	147	82.8 Å²	82.8	64%	0.639	44%	0.441	S	S	*	.	H	α-helix	trans	-61	-42.3	172.5	-76.6	-173.5	179.7	-175.3	0	112.3	L139 M140 H141 A147	L139-K143 WeakPolarHBondContact O-CB 3.37Å; L139-K143 WeakPolarHBondContact O-CG 3.42Å; L139-K143 PolarHBondContact O-N 3.07Å; M140-K143 PolarHBondContact O-N 2.88Å; H141-K143 PolarHBondContact O-N 3.12Å; K143-A147 WeakPolarHBondContact O-CB 3.39Å; K143-A147 PolarHBondContact O-N 3.11Å
144	V	81	Confident	77.8	Confident	91 Å²	91	83 Å²	83	55%	0.552	45%	0.446	S	S	*	.	H	α-helix	trans	-68.4	-44.4	178.2	171.6	0	0	0	0	111.1	M140 H141 D142 A147 Y148	M140-V144 WeakPolarHBondContact O-CB 3.35Å; M140-V144 VanDerWaalsContact O-CG2 3.24Å; M140-V144 WeakPolarHBondContact O-CG2 3.18Å; M140-V144 PolarHBondContact O-N 2.9Å; H141-V144 PolarHBondContact O-N 2.76Å; D142-V144 VanDerWaalsContact C-N 3.35Å; D142-V144 PolarHBondContact O-N 3.32Å; V144-A147 PolarHBondContact O-N 3.47Å; V144-Y148 WeakPolarHBondContact O-CB 3.39Å; V144-Y148 PolarHBondContact O-N 3.15Å
145	A	78.3	Confident	77	Confident	33 Å²	33	82.4 Å²	82.4	27%	0.273	44%	0.442	S	S	.	.	H	α-helix	trans	-62.9	-42.7	177.2	0	0	0	0	0	111.5	H141 D142 A147 Y148 E149	H141-A145 VanDerWaalsContact O-CB 3.28Å; H141-A145 WeakPolarHBondContact O-CB 3.42Å; H141-A145 PolarHBondContact O-N 3.35Å; D142-A145 PolarHBondContact O-N 3.49Å; A145-A147 PolarHBondContact O-N 3.33Å; A145-Y148 WeakPolarHBondContact O-CB 3.47Å; A145-Y148 PolarHBondContact O-N 3.32Å; A145-E149 PolarHBondContact O-N 3.15Å
146	K	80.5	Confident	76.2	Confident	150 Å²	150	86.1 Å²	86.1	65%	0.652	46%	0.455	S	S	*	.	H	α-helix	trans	-62.7	-41.2	174.3	-171.1	174.5	-174.8	173.1	0	112.1	D142 T150	D142-K146 WeakPolarHBondContact O-CB 3.46Å; D142-K146 PolarHBondContact O-N 2.86Å; K146-T150 WeakPolarHBondContact O-CB 2.98Å; K146-T150 PolarHBondContact O-N 3.1Å; K146-T150 PolarHBondContact O-OG1 2.9Å
147	A	79.4	Confident	75.2	Confident	60 Å²	60	84.6 Å²	84.6	50%	0.496	46%	0.459	S	S	.	.	H	α-helix	trans	-65.2	-41	174.7	0	0	0	0	0	111.7	K143 V144 A145 T150 C151	K143-A147 WeakPolarHBondContact O-CB 3.39Å; K143-A147 PolarHBondContact O-N 3.11Å; V144-A147 PolarHBondContact O-N 3.47Å; A145-A147 PolarHBondContact O-N 3.33Å; A147-T150 PolarHBondContact O-N 3.08Å; A147-C151 WeakPolarHBondContact O-CB 3.42Å; A147-C151 PolarHBondContact O-N 3Å
148	Y	74.9	Confident	74.1	Confident	52 Å²	52	88.8 Å²	88.8	20%	0.204	47%	0.468	C	S	.	.	H	α-helix	trans	-57.8	-52.8	175.3	-179.5	-94	0	0	0	111.7	V144 A145 T150 C151 K152 L221 W225 D228	V144-Y148 WeakPolarHBondContact O-CB 3.39Å; V144-Y148 PolarHBondContact O-N 3.15Å; A145-Y148 WeakPolarHBondContact O-CB 3.47Å; A145-Y148 PolarHBondContact O-N 3.32Å; Y148-T150 PolarHBondContact O-N 3.08Å; Y148-C151 WeakPolarHBondContact O-CB 3.43Å; Y148-C151 PolarHBondContact O-N 3.41Å; Y148-C151 VanDerWaalsContact O-N 3.15Å; Y148-K152 PolarHBondContact O-N 3.24Å; Y148-L221 HydrophobicContact CD2-CD1 3.54Å; Y148-L221 HydrophobicContact CE2-CD1 3.55Å; Y148-W225 AromaticContact CD2-NE1 3.76Å; Y148-W225 AromaticContact CE1-NE1 3.97Å; Y148-W225 AromaticContact CE2-CD1 3.67Å; Y148-W225 AromaticContact CE2-NE1 3.04Å; Y148-W225 AromaticContact CZ-CD1 3.54Å; Y148-W225 AromaticContact CZ-NE1 3.18Å; Y148-W225 PolarHBondContact OH-NE1 3.19Å; Y148-D228 PolarHBondContact OH-OD2 3.35Å
149	E	73.8	Confident	72.8	Confident	104 Å²	104	87.7 Å²	87.7	49%	0.486	47%	0.469	S	S	.	.	H	α-helix	trans	-65.1	-37.8	178.7	-73.9	-58.9	153	0	0	112.9	A145 C151 K152 S153	A145-E149 PolarHBondContact O-N 3.15Å; E149-C151 VanDerWaalsContact C-N 3.3Å; E149-C151 PolarHBondContact O-N 3.12Å; E149-K152 PolarHBondContact O-N 3.32Å; E149-S153 WeakPolarHBondContact O-CB 3.1Å; E149-S153 PolarHBondContact O-N 3.21Å; E149-S153 PolarHBondContact O-OG 2.86Å; E149-S153 VanDerWaalsContact O-OG 3.13Å
150	T	79.5	Confident	71.6	Confident	79 Å²	79	90.5 Å²	90.5	49%	0.485	48%	0.476	S	S	.	.	H	α-helix	trans	-61.8	-40.8	173.6	-55.3	0	0	0	0	110.8	K146 A147 Y148 S153 V154	K146-T150 WeakPolarHBondContact O-CB 2.98Å; K146-T150 PolarHBondContact O-N 3.1Å; K146-T150 PolarHBondContact O-OG1 2.9Å; A147-T150 PolarHBondContact O-N 3.08Å; Y148-T150 PolarHBondContact O-N 3.08Å; T150-S153 PolarHBondContact O-OG 3.19Å; T150-V154 VanDerWaalsContact O-CG2 3.26Å; T150-V154 WeakPolarHBondContact O-CG2 3.42Å; T150-V154 PolarHBondContact O-N 3.45Å
151	C	73.9	Confident	70.4	Confident	55 Å²	55	92.6 Å²	92.6	37%	0.372	48%	0.478	S	S	.	.	H	α-helix	trans	-69	-43.3	176.8	-135	0	0	0	0	112	A147 Y148 E149 S153 V154 M155 W225	A147-C151 WeakPolarHBondContact O-CB 3.42Å; A147-C151 PolarHBondContact O-N 3Å; Y148-C151 WeakPolarHBondContact O-CB 3.43Å; Y148-C151 PolarHBondContact O-N 3.41Å; Y148-C151 VanDerWaalsContact O-N 3.15Å; E149-C151 VanDerWaalsContact C-N 3.3Å; E149-C151 PolarHBondContact O-N 3.12Å; C151-S153 PolarHBondContact O-N 3.19Å; C151-V154 PolarHBondContact O-N 2.95Å; C151-M155 HydrophobicContact CB-CE 4.3Å; C151-M155 WeakPolarHBondContact O-CE 3.44Å; C151-M155 PolarHBondContact O-N 3.08Å; C151-W225 HydrophobicContact CB-CH2 3.91Å; C151-W225 HydrophobicContact CB-CZ2 3.92Å
152	K	70.3	Confident	68.9	Low	38 Å²	38	94 Å²	94	17%	0.165	48%	0.478	C	S	.	.	H	α-helix	trans	-57.2	-47.7	176.6	-172.4	176.8	178.8	179.3	0	111.1	Y148 E149 V154 M155 H156 D232	Y148-K152 PolarHBondContact O-N 3.24Å; E149-K152 PolarHBondContact O-N 3.32Å; K152-V154 PolarHBondContact O-N 3Å; K152-M155 PolarHBondContact O-N 2.98Å; K152-H156 PolarHBondContact O-N 2.98Å; K152-H156 VanDerWaalsContact O-N 3.12Å; K152-D232 IonicContact NZ-OD2 3.9Å; K152-D232 PolarHBondContact NZ-OD2 2.6Å
153	S	71.8	Confident	68.2	Low	76 Å²	76	93.4 Å²	93.4	53%	0.531	47%	0.47	S	S	.	.	H	α-helix	trans	-64.5	-37.5	179.5	63.1	0	0	0	0	113.8	E149 T150 C151 M155	E149-S153 WeakPolarHBondContact O-CB 3.1Å; E149-S153 PolarHBondContact O-N 3.21Å; E149-S153 PolarHBondContact O-OG 2.86Å; E149-S153 VanDerWaalsContact O-OG 3.13Å; T150-S153 PolarHBondContact O-OG 3.19Å; C151-S153 PolarHBondContact O-N 3.19Å; S153-M155 VanDerWaalsContact C-N 3.29Å; S153-M155 PolarHBondContact O-N 3.27Å
154	V	73.2	Confident	67	Low	109 Å²	109	92.2 Å²	92.2	66%	0.661	48%	0.478	S	S	*	.	H	α-helix	trans	-67.3	-30	177.1	171.8	0	0	0	0	112.2	T150 C151 K152 P157	T150-V154 VanDerWaalsContact O-CG2 3.26Å; T150-V154 WeakPolarHBondContact O-CG2 3.42Å; T150-V154 PolarHBondContact O-N 3.45Å; C151-V154 PolarHBondContact O-N 2.95Å; K152-V154 PolarHBondContact O-N 3Å; V154-P157 WeakPolarHBondContact O-CD 3.36Å
155	M	65.1	Low	65.8	Low	41 Å²	41	89.9 Å²	89.9	20%	0.202	46%	0.464	C	S	.	.	H	α-helix	trans	-90.2	-17.1	-179	-81.4	-173.2	-87.5	0	0	115.1	C151 K152 S153 P157 K158 W163 W225	C151-M155 HydrophobicContact CB-CE 4.3Å; C151-M155 WeakPolarHBondContact O-CE 3.44Å; C151-M155 PolarHBondContact O-N 3.08Å; K152-M155 PolarHBondContact O-N 2.98Å; S153-M155 VanDerWaalsContact C-N 3.29Å; S153-M155 PolarHBondContact O-N 3.27Å; M155-P157 WeakPolarHBondContact O-CD 3.31Å; M155-K158 PolarHBondContact O-N 3.3Å; M155-W163 HydrophobicContact CB-CH2 4.1Å; M155-W163 HydrophobicContact CB-CZ2 3.61Å; M155-W163 PolarHBondContact O-NE1 2.9Å; M155-W163 HydrophobicContact SD-CD2 4.26Å; M155-W163 HydrophobicContact SD-CE3 4.28Å; M155-W225 HydrophobicContact CE-CE3 4.09Å; M155-W225 HydrophobicContact CE-CH2 3.02Å; M155-W225 HydrophobicContact CE-CZ2 4.08Å; M155-W225 HydrophobicContact CE-CZ3 3.03Å; M155-W225 HydrophobicContact SD-CH2 4.42Å; M155-W225 HydrophobicContact SD-CZ3 3.88Å
156	H	60.1	Low	64.8	Low	116 Å²	116	94.9 Å²	94.9	54%	0.537	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-15.3	-178.1	-134	-85.8	0	0	0	118	K152	K152-H156 PolarHBondContact O-N 2.98Å; K152-H156 VanDerWaalsContact O-N 3.12Å
157	P	57.3	Low	63.7	Low	107 Å²	107	89.3 Å²	89.3	70%	0.695	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	3.6	177	30.2	-27.5	0	0	0	115.6	V154 M155	V154-P157 WeakPolarHBondContact O-CD 3.36Å; M155-P157 WeakPolarHBondContact O-CD 3.31Å
158	K	56.6	Low	62.9	Low	140 Å²	140	87.7 Å²	87.7	61%	0.609	46%	0.456	S	S	*	.	S	Bend	trans	-115.8	139.5	179.2	-68.1	178.8	-174.1	167.7	0	111.7	M155 R160	M155-K158 PolarHBondContact O-N 3.3Å; K158-R160 PolarHBondContact O-N 3.08Å
159	P	51.1	Low	62.8	Low	61 Å²	61	89.1 Å²	89.1	40%	0.396	47%	0.467	S	S	.	.			trans	-61.4	135.4	176.5	27.8	-35.1	0	0	0	110.2	Y161 R162	P159-Y161 HydrophobicContact CB-CD1 3.73Å; P159-Y161 HydrophobicContact CB-CE1 3.39Å; P159-Y161 HydrophobicContact CG-CD1 4.11Å; P159-Y161 HydrophobicContact CG-CE1 3.4Å; P159-Y161 PolarHBondContact O-N 3.05Å; P159-Y161 VanDerWaalsContact O-N 3.07Å; P159-R162 WeakPolarHBondContact O-CB 3.45Å; P159-R162 PolarHBondContact O-N 2.67Å
160	R	54.3	Low	62.9	Low	110 Å²	110	85 Å²	85	42%	0.415	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-58.7	-24.6	-164.6	-65.8	-179.6	-176.2	169.6	-3.1	114.7	K158 R162 W163 A229	K158-R160 PolarHBondContact O-N 3.08Å; R160-R162 PolarHBondContact O-N 3.22Å; R160-R162 VanDerWaalsContact O-N 3.09Å; R160-W163 WeakPolarHBondContact O-CB 3.28Å; R160-W163 PolarHBondContact O-N 3.39Å; R160-A229 PolarHBondContact NH1-O 2.93Å
161	Y	54.8	Low	63.1	Low	178 Å²	178	84.6 Å²	84.6	70%	0.698	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-64.8	-10.2	172.1	74.2	-94.7	0	0	0	114.4	P159	P159-Y161 HydrophobicContact CB-CD1 3.73Å; P159-Y161 HydrophobicContact CB-CE1 3.39Å; P159-Y161 HydrophobicContact CG-CD1 4.11Å; P159-Y161 HydrophobicContact CG-CE1 3.4Å; P159-Y161 PolarHBondContact O-N 3.05Å; P159-Y161 VanDerWaalsContact O-N 3.07Å
162	R	51.2	Low	63.5	Low	155 Å²	155	86.5 Å²	86.5	59%	0.585	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-101.5	6	174.1	-70	-168.9	170.6	163.2	0.3	113.5	P159 R160	P159-R162 WeakPolarHBondContact O-CB 3.45Å; P159-R162 PolarHBondContact O-N 2.67Å; R160-R162 PolarHBondContact O-N 3.22Å; R160-R162 VanDerWaalsContact O-N 3.09Å
163	W	64.2	Low	64.1	Low	59 Å²	59	88.4 Å²	88.4	22%	0.223	46%	0.462	C	S	.	.			trans	-70.9	132.3	174	-73.9	24.7	0	0	0	108.6	M155 R160 V165 W225	M155-W163 HydrophobicContact CB-CH2 4.1Å; M155-W163 HydrophobicContact CB-CZ2 3.61Å; M155-W163 PolarHBondContact O-NE1 2.9Å; M155-W163 HydrophobicContact SD-CD2 4.26Å; M155-W163 HydrophobicContact SD-CE3 4.28Å; R160-W163 WeakPolarHBondContact O-CB 3.28Å; R160-W163 PolarHBondContact O-N 3.39Å; W163-V165 PolarHBondContact O-N 3.18Å; W163-W225 HydrophobicContact CE3-CE3 4.09Å; W163-W225 HydrophobicContact CH2-CE3 4.39Å; W163-W225 HydrophobicContact CZ3-CB 3.99Å; W163-W225 AromaticContact CZ3-CD2 3.98Å; W163-W225 HydrophobicContact CZ3-CD2 3.98Å; W163-W225 AromaticContact CZ3-CE3 3.51Å; W163-W225 HydrophobicContact CZ3-CE3 3.51Å; W163-W225 HydrophobicContact CZ3-CG 4.22Å; W163-W225 HydrophobicContact CZ3-CZ3 4.32Å
164	P	55.7	Low	64.8	Low	122 Å²	122	85.3 Å²	85.3	79%	0.792	44%	0.439	S	S	*	.	S	Bend	trans	-73.1	6.8	-168.4	26.6	-33	0	0	0	115
165	V	56.3	Low	65.3	Low	43 Å²	43	82.4 Å²	82.4	26%	0.261	42%	0.419	S	S	.	.			trans	-134.6	110.2	-176.7	-169.6	0	0	0	0	108.5	W163 M218 A222	W163-V165 PolarHBondContact O-N 3.18Å; V165-M218 HydrophobicContact CG2-CE 3.86Å; V165-A222 HydrophobicContact CB-CB 4.19Å; V165-A222 HydrophobicContact CG1-CB 3.69Å
166	L	57.2	Low	66.3	Low	137 Å²	137	82.8 Å²	82.8	72%	0.717	43%	0.429	S	S	*	.			trans	-71.1	125.7	160.5	-77.5	156.9	0	0	0	106.4	G168 L169	L166-G168 PolarHBondContact O-N 3.05Å; L166-L169 HydrophobicContact CB-CD1 3.74Å; L166-L169 HydrophobicContact CD1-CD1 4.11Å
167	A	57.8	Low	67.5	Low	34 Å²	34	80.5 Å²	80.5	28%	0.281	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	126.4	-172.4	0	0	0	0	0	111.7	A222 N223 L226	A167-A222 HydrophobicContact CB-CB 4.06Å; A167-N223 WeakPolarHBondContact CB-OD1 3.31Å; A167-L226 HydrophobicContact CB-CD2 4.13Å
168	G	62.5	Low	69	Low	25 Å²	25	77.6 Å²	77.6	26%	0.258	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	20.9	173.2	0	0	0	0	0	116.6	L166 D219	L166-G168 PolarHBondContact O-N 3.05Å; G168-D219 PolarHBondContact N-OD1 3.49Å
169	L	71.5	Confident	70.4	Confident	82 Å²	82	77.2 Å²	77.2	43%	0.429	40%	0.399	S	S	.	.			trans	-118.3	-11.5	-178.1	-76.2	170.5	0	0	0	114.2	L166 T173 D219	L166-L169 HydrophobicContact CB-CD1 3.74Å; L166-L169 HydrophobicContact CD1-CD1 4.11Å; L169-T173 VanDerWaalsContact O-CB 3.27Å; L169-T173 WeakPolarHBondContact O-CB 3.46Å; L169-T173 WeakPolarHBondContact O-CG2 3.26Å; L169-T173 PolarHBondContact O-N 3.35Å; L169-T173 PolarHBondContact O-OG1 3.43Å; L169-D219 PolarHBondContact N-OD1 3.24Å; L169-D219 VanDerWaalsContact N-OD1 3.15Å
170	A	77.1	Confident	72.1	Confident	19 Å²	19	84 Å²	84	16%	0.157	42%	0.417	C	S	.	.	H	α-helix	trans	-70.2	-43	-173.1	0	0	0	0	0	112.1	T173 M174 L215 D219	A170-T173 PolarHBondContact O-OG1 2.8Å; A170-M174 WeakPolarHBondContact O-CB 3.25Å; A170-M174 PolarHBondContact O-N 2.95Å; A170-M174 VanDerWaalsContact O-N 3.16Å; A170-L215 HydrophobicContact CB-CB 4.34Å; A170-L215 HydrophobicContact CB-CD2 4.16Å; A170-D219 VanDerWaalsContact CB-OD1 3.23Å; A170-D219 WeakPolarHBondContact CB-OD1 3.36Å; A170-D219 PolarHBondContact N-OD1 2.94Å; A170-D219 PolarHBondContact N-OD2 2.91Å; A170-D219 VanDerWaalsContact N-OD2 3.14Å
171	Y	83.6	Confident	73.6	Confident	69 Å²	69	80 Å²	80	27%	0.271	40%	0.404	S	S	.	.	H	α-helix	trans	-68.4	-46.1	175.7	-176.7	-98.8	0	0	0	112	T173 M174 E175 Q212 I216 D219	Y171-T173 VanDerWaalsContact C-N 3.33Å; Y171-T173 PolarHBondContact O-N 3Å; Y171-M174 HydrophobicContact CD2-CE 3.71Å; Y171-M174 HydrophobicContact CE2-CE 3.61Å; Y171-M174 WeakPolarHBondContact O-CB 3.44Å; Y171-M174 PolarHBondContact O-N 3.13Å; Y171-M174 VanDerWaalsContact O-N 3.11Å; Y171-E175 HydrophobicContact CD1-CG 4.41Å; Y171-E175 HydrophobicContact CE1-CG 3.84Å; Y171-E175 PolarHBondContact O-N 3.39Å; Y171-Q212 HydrophobicContact CE2-CB 4.18Å; Y171-I216 HydrophobicContact CD2-CD1 3.9Å; Y171-I216 HydrophobicContact CD2-CG1 3.5Å; Y171-I216 HydrophobicContact CE2-CD1 3.82Å; Y171-I216 HydrophobicContact CE2-CG1 3.98Å; Y171-I216 HydrophobicContact CG-CG1 3.93Å; Y171-D219 WeakPolarHBondContact CB-OD2 3.38Å; Y171-D219 PolarHBondContact N-OD2 3.48Å
172	D	81	Confident	75	Confident	96 Å²	96	75 Å²	75	51%	0.513	39%	0.389	S	S	.	.	H	α-helix	trans	-61.7	-41.4	179.7	-71.2	-8.2	0	0	0	112	M174 E175 A176	D172-M174 VanDerWaalsContact C-N 3.34Å; D172-E175 PolarHBondContact O-N 2.84Å; D172-A176 WeakPolarHBondContact O-CB 3.28Å; D172-A176 PolarHBondContact O-N 3.4Å
173	T	83.7	Confident	76.6	Confident	78 Å²	78	71.4 Å²	71.4	48%	0.479	38%	0.384	S	S	.	.	H	α-helix	trans	-65.8	-37.2	175.2	52.3	0	0	0	0	112	L169 A170 Y171 A176 V177	L169-T173 VanDerWaalsContact O-CB 3.27Å; L169-T173 WeakPolarHBondContact O-CB 3.46Å; L169-T173 WeakPolarHBondContact O-CG2 3.26Å; L169-T173 PolarHBondContact O-N 3.35Å; L169-T173 PolarHBondContact O-OG1 3.43Å; A170-T173 PolarHBondContact O-OG1 2.8Å; Y171-T173 VanDerWaalsContact C-N 3.33Å; Y171-T173 PolarHBondContact O-N 3Å; T173-A176 PolarHBondContact O-N 3.09Å; T173-V177 WeakPolarHBondContact O-CB 3.44Å; T173-V177 VanDerWaalsContact O-CG2 3.23Å; T173-V177 WeakPolarHBondContact O-CG2 3.4Å; T173-V177 PolarHBondContact O-N 3.03Å
174	M	86.1	Confident	77.3	Confident	10 Å²	10	69.9 Å²	69.9	5%	0.049	38%	0.384	C	S	.	.	H	α-helix	trans	-66.1	-44.2	174.6	178	-146.2	64.7	0	0	111.9	A170 Y171 D172 A176 V177 K178 C206 F211 Q212 L215	A170-M174 WeakPolarHBondContact O-CB 3.25Å; A170-M174 PolarHBondContact O-N 2.95Å; A170-M174 VanDerWaalsContact O-N 3.16Å; Y171-M174 HydrophobicContact CD2-CE 3.71Å; Y171-M174 HydrophobicContact CE2-CE 3.61Å; Y171-M174 WeakPolarHBondContact O-CB 3.44Å; Y171-M174 PolarHBondContact O-N 3.13Å; Y171-M174 VanDerWaalsContact O-N 3.11Å; D172-M174 VanDerWaalsContact C-N 3.34Å; M174-A176 VanDerWaalsContact C-N 3.34Å; M174-A176 PolarHBondContact O-N 3.1Å; M174-V177 PolarHBondContact O-N 3.38Å; M174-K178 WeakPolarHBondContact O-CB 3.38Å; M174-K178 PolarHBondContact O-N 3.46Å; M174-C206 HydrophobicContact CG-CB 4.19Å; M174-F211 HydrophobicContact CG-CE1 4.35Å; M174-F211 HydrophobicContact SD-CD1 4.04Å; M174-F211 HydrophobicContact SD-CE1 4.27Å; M174-Q212 HydrophobicContact CE-CG 3.79Å; M174-Q212 HydrophobicContact SD-CG 3.84Å; M174-L215 HydrophobicContact CB-CD1 3.58Å; M174-L215 HydrophobicContact CG-CD1 3.82Å; M174-L215 HydrophobicContact SD-CD1 3.61Å
175	E	84.4	Confident	78.4	Confident	48 Å²	48	67 Å²	67	22%	0.224	36%	0.361	C	S	.	.	H	α-helix	trans	-62.7	-40.7	175.3	-81.1	-62.2	129.1	0	0	111.4	Y171 D172 V177 K178 E179	Y171-E175 HydrophobicContact CD1-CG 4.41Å; Y171-E175 HydrophobicContact CE1-CG 3.84Å; Y171-E175 PolarHBondContact O-N 3.39Å; D172-E175 PolarHBondContact O-N 2.84Å; E175-V177 PolarHBondContact O-N 2.95Å; E175-K178 VanDerWaalsContact CD-NZ 3.28Å; E175-K178 WeakPolarHBondContact O-CB 3.2Å; E175-K178 PolarHBondContact O-N 3.43Å; E175-K178 WeakPolarHBondContact OE1-CD 3.35Å; E175-K178 IonicContact OE1-NZ 2.71Å; E175-K178 PolarHBondContact OE1-NZ 2.83Å; E175-K178 IonicContact OE2-NZ 3.37Å; E175-K178 PolarHBondContact OE2-NZ 3.49Å; E175-E179 PolarHBondContact O-N 2.68Å
176	A	85.7	Confident	79.5	Confident	50 Å²	50	72.7 Å²	72.7	41%	0.413	38%	0.383	S	S	.	.	H	α-helix	trans	-62.6	-39.4	173.9	0	0	0	0	0	112.8	D172 T173 M174 R180	D172-A176 WeakPolarHBondContact O-CB 3.28Å; D172-A176 PolarHBondContact O-N 3.4Å; T173-A176 PolarHBondContact O-N 3.09Å; M174-A176 VanDerWaalsContact C-N 3.34Å; M174-A176 PolarHBondContact O-N 3.1Å; A176-R180 WeakPolarHBondContact O-CG 3.32Å; A176-R180 PolarHBondContact O-N 3.38Å
177	V	86.5	Confident	80.3	Confident	68 Å²	68	71.7 Å²	71.7	41%	0.412	38%	0.378	S	S	.	.	H	α-helix	trans	-64.7	-43.9	174.3	168	0	0	0	0	110.6	T173 M174 E175 R180 L181	T173-V177 WeakPolarHBondContact O-CB 3.44Å; T173-V177 VanDerWaalsContact O-CG2 3.23Å; T173-V177 WeakPolarHBondContact O-CG2 3.4Å; T173-V177 PolarHBondContact O-N 3.03Å; M174-V177 PolarHBondContact O-N 3.38Å; E175-V177 PolarHBondContact O-N 2.95Å; V177-R180 PolarHBondContact O-N 3.37Å; V177-L181 HydrophobicContact CG1-CD1 3.77Å; V177-L181 HydrophobicContact CG1-CG 4.24Å; V177-L181 VanDerWaalsContact O-CG 3.26Å; V177-L181 WeakPolarHBondContact O-CG 3.24Å; V177-L181 PolarHBondContact O-N 3.32Å
178	K	87.8	Confident	80.8	Confident	45 Å²	45	73.7 Å²	73.7	20%	0.196	39%	0.388	C	S	.	.	H	α-helix	trans	-60.9	-44.3	177.2	177.4	-177	160.8	-146.6	0	111.7	M174 E175 R180 L181 L182	M174-K178 WeakPolarHBondContact O-CB 3.38Å; M174-K178 PolarHBondContact O-N 3.46Å; E175-K178 VanDerWaalsContact CD-NZ 3.28Å; E175-K178 WeakPolarHBondContact O-CB 3.2Å; E175-K178 PolarHBondContact O-N 3.43Å; E175-K178 WeakPolarHBondContact OE1-CD 3.35Å; E175-K178 IonicContact OE1-NZ 2.71Å; E175-K178 PolarHBondContact OE1-NZ 2.83Å; E175-K178 IonicContact OE2-NZ 3.37Å; E175-K178 PolarHBondContact OE2-NZ 3.49Å; K178-R180 PolarHBondContact O-N 3.07Å; K178-L181 PolarHBondContact O-N 3.34Å; K178-L182 HydrophobicContact CG-CD1 4.35Å; K178-L182 WeakPolarHBondContact O-CB 3.37Å; K178-L182 WeakPolarHBondContact O-CG 3.4Å; K178-L182 PolarHBondContact O-N 3.44Å
179	E	86.9	Confident	81	Confident	132 Å²	132	76.3 Å²	76.3	62%	0.617	42%	0.415	S	S	*	.	H	α-helix	trans	-61.3	-42.9	173.8	-78.6	-158.5	145.1	0	0	112.6	E175 L182 T183	E175-E179 PolarHBondContact O-N 2.68Å; E179-L182 PolarHBondContact O-N 2.78Å; E179-T183 WeakPolarHBondContact O-CB 3.01Å; E179-T183 PolarHBondContact O-N 2.79Å; E179-T183 PolarHBondContact O-OG1 2.9Å
180	R	84.8	Confident	80.6	Confident	203 Å²	203	80.7 Å²	80.7	77%	0.766	43%	0.434	S	S	*	.	H	α-helix	trans	-63.2	-43.2	176.3	-79.8	-176.3	167.3	-175.6	-3.8	112.3	A176 V177 K178 T183 A184	A176-R180 WeakPolarHBondContact O-CG 3.32Å; A176-R180 PolarHBondContact O-N 3.38Å; V177-R180 PolarHBondContact O-N 3.37Å; K178-R180 PolarHBondContact O-N 3.07Å; R180-T183 PolarHBondContact O-N 3.37Å; R180-A184 PolarHBondContact O-N 3.35Å
181	L	86.1	Confident	80.5	Confident	27 Å²	27	83.8 Å²	83.8	14%	0.141	44%	0.444	C	S	.	.	H	α-helix	trans	-65.5	-39.9	177.2	-67.8	170.7	0	0	0	111.7	V177 K178 T183 A184 L185 I199 I202 L203	V177-L181 HydrophobicContact CG1-CD1 3.77Å; V177-L181 HydrophobicContact CG1-CG 4.24Å; V177-L181 VanDerWaalsContact O-CG 3.26Å; V177-L181 WeakPolarHBondContact O-CG 3.24Å; V177-L181 PolarHBondContact O-N 3.32Å; K178-L181 PolarHBondContact O-N 3.34Å; L181-T183 VanDerWaalsContact C-N 3.31Å; L181-T183 PolarHBondContact O-N 3.47Å; L181-A184 PolarHBondContact O-N 2.98Å; L181-L185 WeakPolarHBondContact O-CG 3.48Å; L181-L185 PolarHBondContact O-N 3.22Å; L181-I199 HydrophobicContact CB-CG2 4.33Å; L181-I199 HydrophobicContact CD2-CB 4.49Å; L181-I199 HydrophobicContact CD2-CG1 4.21Å; L181-I199 HydrophobicContact CD2-CG2 3.96Å; L181-I202 HydrophobicContact CD1-CB 4.26Å; L181-I202 HydrophobicContact CD1-CG2 3.57Å; L181-L203 HydrophobicContact CB-CD1 3.98Å
182	L	85.5	Confident	80.3	Confident	73 Å²	73	85 Å²	85	38%	0.382	46%	0.455	S	S	.	.	H	α-helix	trans	-61.2	-40.4	172.6	-76.5	168.2	0	0	0	112	K178 E179 L185 K186 L203	K178-L182 HydrophobicContact CG-CD1 4.35Å; K178-L182 WeakPolarHBondContact O-CB 3.37Å; K178-L182 WeakPolarHBondContact O-CG 3.4Å; K178-L182 PolarHBondContact O-N 3.44Å; E179-L182 PolarHBondContact O-N 2.78Å; L182-L185 PolarHBondContact O-N 3.1Å; L182-K186 WeakPolarHBondContact O-CG 3.31Å; L182-K186 PolarHBondContact O-N 3.4Å; L182-L203 HydrophobicContact CD2-CD1 3.77Å; L182-L203 HydrophobicContact CG-CD1 3.76Å
183	T	83.7	Confident	80.3	Confident	80 Å²	80	83.9 Å²	83.9	49%	0.491	46%	0.459	S	S	.	.	H	α-helix	trans	-68.4	-38.5	178.3	-51.5	0	0	0	0	111.4	E179 R180 L181 K186	E179-T183 WeakPolarHBondContact O-CB 3.01Å; E179-T183 PolarHBondContact O-N 2.79Å; E179-T183 PolarHBondContact O-OG1 2.9Å; R180-T183 PolarHBondContact O-N 3.37Å; L181-T183 VanDerWaalsContact C-N 3.31Å; L181-T183 PolarHBondContact O-N 3.47Å; T183-K186 PolarHBondContact O-N 3.13Å
184	A	80.4	Confident	80.2	Confident	26 Å²	26	87.4 Å²	87.4	22%	0.215	47%	0.468	C	S	.	.	H	α-helix	trans	-64.2	-39.3	174.1	0	0	0	0	0	112.4	R180 L181 K186 N187 F191	R180-A184 PolarHBondContact O-N 3.35Å; L181-A184 PolarHBondContact O-N 2.98Å; A184-K186 VanDerWaalsContact C-N 3.33Å; A184-K186 PolarHBondContact O-N 2.71Å; A184-N187 CarbonylContact O-C 3.58Å; A184-N187 PolarHBondContact O-N 3.47Å; A184-F191 HydrophobicContact CB-CE2 4.11Å
185	L	78.6	Confident	80	Confident	61 Å²	61	89.3 Å²	89.3	32%	0.319	48%	0.481	S	S	.	.	H	α-helix	trans	-67.3	-29.4	176.5	-77.6	163.7	0	0	0	113.5	L181 L182 N187 L196 I199 L203	L181-L185 WeakPolarHBondContact O-CG 3.48Å; L181-L185 PolarHBondContact O-N 3.22Å; L182-L185 PolarHBondContact O-N 3.1Å; L185-N187 PolarHBondContact O-N 2.94Å; L185-L196 HydrophobicContact CD2-CD2 4.05Å; L185-I199 HydrophobicContact CD1-CG2 3.96Å; L185-I199 HydrophobicContact CD2-CG2 4.02Å; L185-I199 HydrophobicContact CG-CG2 3.74Å; L185-L203 HydrophobicContact CD1-CD1 4.02Å
186	K	79.6	Confident	79.8	Confident	164 Å²	164	89.2 Å²	89.2	71%	0.713	48%	0.481	S	S	*	.	H	α-helix	trans	-69	-21.3	175.5	-74.1	176.3	-178.7	176.7	0	113.1	L182 T183 A184 P188	L182-K186 WeakPolarHBondContact O-CG 3.31Å; L182-K186 PolarHBondContact O-N 3.4Å; T183-K186 PolarHBondContact O-N 3.13Å; A184-K186 VanDerWaalsContact C-N 3.33Å; A184-K186 PolarHBondContact O-N 2.71Å; K186-P188 VanDerWaalsContact C-CD 3.45Å; K186-P188 WeakPolarHBondContact O-CD 3.47Å
187	N	73.2	Confident	79.8	Confident	115 Å²	115	92.4 Å²	92.4	62%	0.615	49%	0.491	S	S	*	.			trans	-120.4	70.7	-180	-69.6	-31.4	0	0	0	111.4	A184 L185 G189	A184-N187 CarbonylContact O-C 3.58Å; A184-N187 PolarHBondContact O-N 3.47Å; L185-N187 PolarHBondContact O-N 2.94Å; N187-G189 PolarHBondContact O-N 3.39Å
188	P	68	Low	79.8	Confident	76 Å²	76	91.6 Å²	91.6	49%	0.494	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-69.2	-7.5	-172.8	27.8	-35.3	0	0	0	114.6	K186 Q190	K186-P188 VanDerWaalsContact C-CD 3.45Å; K186-P188 WeakPolarHBondContact O-CD 3.47Å; P188-Q190 PolarHBondContact O-N 2.74Å
189	G	65.8	Low	79.6	Confident	80 Å²	80	90.2 Å²	90.2	83%	0.825	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-67.1	-2.5	-171.1	0	0	0	0	0	116.6	N187	N187-G189 PolarHBondContact O-N 3.39Å
190	Q	64.9	Low	79.5	Confident	174 Å²	174	86.3 Å²	86.3	81%	0.813	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-119.5	-4	-175.2	-69.4	-175.8	-9.3	0	0	115	P188	P188-Q190 PolarHBondContact O-N 2.74Å
191	F	74.3	Confident	79.6	Confident	84 Å²	84	79.4 Å²	79.4	37%	0.368	46%	0.456	S	S	.	.			trans	-119.7	146.6	-171.3	-58.1	-66.4	0	0	0	112.8	A184 T195 L196	A184-F191 HydrophobicContact CB-CE2 4.11Å; F191-T195 HydrophobicContact CD1-CG2 4.21Å; F191-L196 HydrophobicContact CB-CD2 4.47Å; F191-L196 HydrophobicContact CB-CG 4.13Å
192	D	80.2	Confident	79.7	Confident	94 Å²	94	82 Å²	82	50%	0.503	47%	0.469	S	S	.	.			trans	-74.2	160.7	171.7	63.7	13.3	0	0	0	111.4	F194 T195 L196	D192-F194 PolarHBondContact O-N 3.41Å; D192-T195 PolarHBondContact O-N 3Å; D192-T195 WeakPolarHBondContact OD1-CA 3.33Å; D192-T195 WeakPolarHBondContact OD1-CB 3.48Å; D192-T195 PolarHBondContact OD1-N 2.92Å; D192-T195 PolarHBondContact OD1-OG1 3.45Å; D192-L196 PolarHBondContact O-N 3.32Å
193	A	79.4	Confident	79.8	Confident	74 Å²	74	79.8 Å²	79.8	61%	0.612	46%	0.458	S	S	*	.	H	α-helix	trans	-61.8	-29.5	-177.5	0	0	0	0	0	113	N197	A193-N197 PolarHBondContact O-N 3.46Å
194	F	83.1	Confident	80	Confident	152 Å²	152	81 Å²	81	67%	0.667	46%	0.461	S	S	*	.	H	α-helix	trans	-68.1	-48	176.6	-178.9	-97.4	0	0	0	111.3	D192 L196 N197 C198	D192-F194 PolarHBondContact O-N 3.41Å; F194-L196 VanDerWaalsContact C-N 3.32Å; F194-L196 PolarHBondContact O-N 2.52Å; F194-N197 WeakPolarHBondContact O-CB 3.48Å; F194-N197 PolarHBondContact O-N 2.78Å; F194-N197 VanDerWaalsContact O-N 3.17Å; F194-C198 PolarHBondContact O-N 3.4Å; F194-C198 PolarHBondContact O-SG 3.25Å; F194-C198 VanDerWaalsContact O-SG 3.4Å
195	T	80.5	Confident	80.4	Confident	50 Å²	50	84.3 Å²	84.3	31%	0.307	48%	0.475	S	S	.	.	H	α-helix	trans	-64.9	-37.7	178.6	-57.8	0	0	0	0	111	F191 D192 N197 C198 I199	F191-T195 HydrophobicContact CD1-CG2 4.21Å; D192-T195 PolarHBondContact O-N 3Å; D192-T195 WeakPolarHBondContact OD1-CA 3.33Å; D192-T195 WeakPolarHBondContact OD1-CB 3.48Å; D192-T195 PolarHBondContact OD1-N 2.92Å; D192-T195 PolarHBondContact OD1-OG1 3.45Å; T195-N197 VanDerWaalsContact C-N 3.34Å; T195-N197 PolarHBondContact O-N 2.94Å; T195-C198 PolarHBondContact O-N 2.84Å; T195-I199 HydrophobicContact CG2-CD1 3.84Å; T195-I199 HydrophobicContact CG2-CG1 4.28Å; T195-I199 WeakPolarHBondContact O-CB 3.41Å; T195-I199 VanDerWaalsContact O-CG1 3.23Å; T195-I199 WeakPolarHBondContact O-CG1 2.92Å; T195-I199 PolarHBondContact O-N 3.25Å
196	L	81.7	Confident	80.8	Confident	46 Å²	46	81.9 Å²	81.9	24%	0.241	46%	0.463	C	S	.	.	H	α-helix	trans	-60.3	-41.4	173.2	-77.4	166.6	0	0	0	112.6	L185 F191 D192 F194 I199 S200	L185-L196 HydrophobicContact CD2-CD2 4.05Å; F191-L196 HydrophobicContact CB-CD2 4.47Å; F191-L196 HydrophobicContact CB-CG 4.13Å; D192-L196 PolarHBondContact O-N 3.32Å; F194-L196 VanDerWaalsContact C-N 3.32Å; F194-L196 PolarHBondContact O-N 2.52Å; L196-I199 PolarHBondContact O-N 3Å; L196-S200 WeakPolarHBondContact O-CB 3.41Å; L196-S200 PolarHBondContact O-N 2.96Å
197	N	84.2	Confident	81.1	Confident	117 Å²	117	76.5 Å²	76.5	63%	0.626	45%	0.446	S	S	*	.	H	α-helix	trans	-66.3	-40.5	174.9	-79.3	-23.4	0	0	0	112.3	A193 F194 T195 S200 A201	A193-N197 PolarHBondContact O-N 3.46Å; F194-N197 WeakPolarHBondContact O-CB 3.48Å; F194-N197 PolarHBondContact O-N 2.78Å; F194-N197 VanDerWaalsContact O-N 3.17Å; T195-N197 VanDerWaalsContact C-N 3.34Å; T195-N197 PolarHBondContact O-N 2.94Å; N197-S200 PolarHBondContact O-N 3.17Å; N197-A201 WeakPolarHBondContact O-CB 3.23Å; N197-A201 PolarHBondContact O-N 3.47Å
198	C	86	Confident	81.9	Confident	50 Å²	50	72.9 Å²	72.9	34%	0.338	43%	0.43	S	S	.	.	H	α-helix	trans	-64	-43.5	175.1	-67.7	0	0	0	0	112	F194 T195 S200 A201 I202	F194-C198 PolarHBondContact O-N 3.4Å; F194-C198 PolarHBondContact O-SG 3.25Å; F194-C198 VanDerWaalsContact O-SG 3.4Å; T195-C198 PolarHBondContact O-N 2.84Å; C198-S200 VanDerWaalsContact C-N 3.33Å; C198-S200 PolarHBondContact O-N 3.44Å; C198-A201 PolarHBondContact O-N 3.4Å; C198-I202 VanDerWaalsContact O-CG1 3.31Å; C198-I202 WeakPolarHBondContact O-CG1 3.48Å; C198-I202 PolarHBondContact O-N 2.81Å
199	I	85	Confident	82.8	Confident	16 Å²	16	73.2 Å²	73.2	8%	0.082	43%	0.432	C	S	.	.	H	α-helix	trans	-59.3	-45.5	175.8	-72.8	167.7	0	0	0	110.3	L181 L185 T195 L196 I202 L203	L181-I199 HydrophobicContact CB-CG2 4.33Å; L181-I199 HydrophobicContact CD2-CB 4.49Å; L181-I199 HydrophobicContact CD2-CG1 4.21Å; L181-I199 HydrophobicContact CD2-CG2 3.96Å; L185-I199 HydrophobicContact CD1-CG2 3.96Å; L185-I199 HydrophobicContact CD2-CG2 4.02Å; L185-I199 HydrophobicContact CG-CG2 3.74Å; T195-I199 HydrophobicContact CG2-CD1 3.84Å; T195-I199 HydrophobicContact CG2-CG1 4.28Å; T195-I199 WeakPolarHBondContact O-CB 3.41Å; T195-I199 VanDerWaalsContact O-CG1 3.23Å; T195-I199 WeakPolarHBondContact O-CG1 2.92Å; T195-I199 PolarHBondContact O-N 3.25Å; L196-I199 PolarHBondContact O-N 3Å; I199-I202 PolarHBondContact O-N 2.98Å; I199-L203 VanDerWaalsContact O-CB 3.31Å; I199-L203 WeakPolarHBondContact O-CB 3.5Å; I199-L203 PolarHBondContact O-N 2.93Å
200	S	83.8	Confident	83.8	Confident	50 Å²	50	76 Å²	76	35%	0.35	43%	0.427	S	S	.	.	H	α-helix	trans	-61.8	-43	176.5	-176.6	0	0	0	0	112.4	L196 N197 C198 I202 L203 N204	L196-S200 WeakPolarHBondContact O-CB 3.41Å; L196-S200 PolarHBondContact O-N 2.96Å; N197-S200 PolarHBondContact O-N 3.17Å; C198-S200 VanDerWaalsContact C-N 3.33Å; C198-S200 PolarHBondContact O-N 3.44Å; S200-I202 PolarHBondContact O-N 3.47Å; S200-L203 PolarHBondContact O-N 2.95Å; S200-N204 PolarHBondContact O-N 3.04Å; S200-N204 PolarHBondContact O-ND2 3.33Å
201	A	87	Confident	84.8	Confident	58 Å²	58	70.7 Å²	70.7	48%	0.479	40%	0.402	S	S	.	.	H	α-helix	trans	-63.2	-42.4	177.2	0	0	0	0	0	112.6	N197 C198 N204 L205	N197-A201 WeakPolarHBondContact O-CB 3.23Å; N197-A201 PolarHBondContact O-N 3.47Å; C198-A201 PolarHBondContact O-N 3.4Å; A201-N204 PolarHBondContact O-N 3.16Å; A201-L205 PolarHBondContact O-N 3.44Å; A201-L205 VanDerWaalsContact O-N 3.08Å
202	I	88.1	Confident	85.4	Confident	82 Å²	82	68.5 Å²	68.5	42%	0.421	39%	0.392	S	S	.	.	H	α-helix	trans	-66.3	-42	176.3	-66	166.5	0	0	0	110.3	L181 C198 I199 S200 N204 L205 C206	L181-I202 HydrophobicContact CD1-CB 4.26Å; L181-I202 HydrophobicContact CD1-CG2 3.57Å; C198-I202 VanDerWaalsContact O-CG1 3.31Å; C198-I202 WeakPolarHBondContact O-CG1 3.48Å; C198-I202 PolarHBondContact O-N 2.81Å; I199-I202 PolarHBondContact O-N 2.98Å; S200-I202 PolarHBondContact O-N 3.47Å; I202-N204 VanDerWaalsContact C-N 3.31Å; I202-N204 PolarHBondContact O-N 3.25Å; I202-L205 WeakPolarHBondContact O-CB 3.47Å; I202-L205 PolarHBondContact O-N 3.42Å; I202-L205 VanDerWaalsContact O-N 3.1Å; I202-C206 PolarHBondContact O-N 3.1Å; I202-C206 PolarHBondContact O-SG 3.46Å; I202-C206 VanDerWaalsContact O-SG 3.39Å
203	L	88.5	Confident	85.7	Confident	26 Å²	26	68.7 Å²	68.7	14%	0.136	39%	0.394	C	S	.	.	H	α-helix	trans	-62.4	-39	178	-172	125.6	0	0	0	112	L181 L182 L185 I199 S200 L205 C206 S207	L181-L203 HydrophobicContact CB-CD1 3.98Å; L182-L203 HydrophobicContact CD2-CD1 3.77Å; L182-L203 HydrophobicContact CG-CD1 3.76Å; L185-L203 HydrophobicContact CD1-CD1 4.02Å; I199-L203 VanDerWaalsContact O-CB 3.31Å; I199-L203 WeakPolarHBondContact O-CB 3.5Å; I199-L203 PolarHBondContact O-N 2.93Å; S200-L203 PolarHBondContact O-N 2.95Å; L203-L205 VanDerWaalsContact C-N 3.34Å; L203-C206 PolarHBondContact O-N 2.95Å; L203-S207 VanDerWaalsContact O-CB 3.23Å; L203-S207 WeakPolarHBondContact O-CB 3.27Å; L203-S207 PolarHBondContact O-N 2.95Å; L203-S207 PolarHBondContact O-OG 3.43Å
204	N	87.5	Confident	86	Confident	105 Å²	105	69.8 Å²	69.8	56%	0.561	39%	0.388	S	S	*	.	H	α-helix	trans	-64.6	-37.7	173	-73.5	-28	0	0	0	112.2	S200 A201 I202 S207 S208	S200-N204 PolarHBondContact O-N 3.04Å; S200-N204 PolarHBondContact O-ND2 3.33Å; A201-N204 PolarHBondContact O-N 3.16Å; I202-N204 VanDerWaalsContact C-N 3.31Å; I202-N204 PolarHBondContact O-N 3.25Å; N204-S207 PolarHBondContact O-N 2.92Å; N204-S208 PolarHBondContact O-N 3.28Å
205	L	88.5	Confident	86.1	Confident	96 Å²	96	63.6 Å²	63.6	50%	0.503	36%	0.362	S	S	.	.	H	α-helix	trans	-66.8	-48.5	175.8	-174.9	67.4	0	0	0	111.5	A201 I202 L203 S207 S208 F211	A201-L205 PolarHBondContact O-N 3.44Å; A201-L205 VanDerWaalsContact O-N 3.08Å; I202-L205 WeakPolarHBondContact O-CB 3.47Å; I202-L205 PolarHBondContact O-N 3.42Å; I202-L205 VanDerWaalsContact O-N 3.1Å; L203-L205 VanDerWaalsContact C-N 3.34Å; L205-S207 PolarHBondContact O-N 2.94Å; L205-S208 VanDerWaalsContact O-CB 3.25Å; L205-S208 WeakPolarHBondContact O-CB 3.18Å; L205-S208 PolarHBondContact O-N 2.91Å; L205-S208 VanDerWaalsContact O-N 3.1Å; L205-F211 WeakPolarHBondContact O-CB 3.46Å
206	C	86.4	Confident	86.2	Confident	11 Å²	11	65.1 Å²	65.1	7%	0.074	37%	0.368	C	S	.	.	H	α-helix	trans	-65.1	-25.2	177.1	-65.7	0	0	0	0	112.9	M174 I202 L203 Q212	M174-C206 HydrophobicContact CG-CB 4.19Å; I202-C206 PolarHBondContact O-N 3.1Å; I202-C206 PolarHBondContact O-SG 3.46Å; I202-C206 VanDerWaalsContact O-SG 3.39Å; L203-C206 PolarHBondContact O-N 2.95Å; C206-Q212 WeakPolarHBondContact O-CG 3.33Å; C206-Q212 PolarHBondContact O-NE2 3.4Å
207	S	86.4	Confident	86.2	Confident	51 Å²	51	65.9 Å²	65.9	36%	0.357	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-6.3	176	-55.4	0	0	0	0	113.3	L203 N204 L205	L203-S207 VanDerWaalsContact O-CB 3.23Å; L203-S207 WeakPolarHBondContact O-CB 3.27Å; L203-S207 PolarHBondContact O-N 2.95Å; L203-S207 PolarHBondContact O-OG 3.43Å; N204-S207 PolarHBondContact O-N 2.92Å; L205-S207 PolarHBondContact O-N 2.94Å
208	S	89.8	Confident	85.9	Confident	38 Å²	38	63.9 Å²	63.9	27%	0.266	37%	0.368	S	S	.	.			trans	-68.8	125.9	179.4	177.8	0	0	0	0	110.6	N204 L205 L210 F211 Q212	N204-S208 PolarHBondContact O-N 3.28Å; L205-S208 VanDerWaalsContact O-CB 3.25Å; L205-S208 WeakPolarHBondContact O-CB 3.18Å; L205-S208 PolarHBondContact O-N 2.91Å; L205-S208 VanDerWaalsContact O-N 3.1Å; S208-L210 PolarHBondContact O-N 3.46Å; S208-F211 PolarHBondContact O-N 3.38Å; S208-Q212 WeakPolarHBondContact O-CG 3.44Å; S208-Q212 PolarHBondContact O-N 3.32Å
209	P	87.6	Confident	85.6	Confident	83 Å²	83	62 Å²	62	54%	0.539	36%	0.355	S	S	.	.	H	α-helix	trans	-62	-32.2	-177.4	25.1	-34.2	0	0	0	112.2	N213	P209-N213 VanDerWaalsContact O-CB 3.31Å; P209-N213 WeakPolarHBondContact O-CB 3.47Å; P209-N213 PolarHBondContact O-N 2.89Å; P209-N213 PolarHBondContact O-ND2 3.41Å
210	L	86.1	Confident	85.2	Confident	140 Å²	140	62.9 Å²	62.9	73%	0.733	37%	0.368	S	S	*	.	H	α-helix	trans	-65.6	-39.5	175.9	-68.7	173.1	0	0	0	111.8	S208 L214	S208-L210 PolarHBondContact O-N 3.46Å; L210-L214 VanDerWaalsContact O-CB 3.32Å; L210-L214 WeakPolarHBondContact O-CB 3.43Å; L210-L214 PolarHBondContact O-N 3.43Å
211	F	87	Confident	84.8	Confident	62 Å²	62	63.2 Å²	63.2	27%	0.272	37%	0.365	S	S	.	.	H	α-helix	trans	-71.4	-40.7	179.9	-170.1	-106.4	0	0	0	111.4	M174 L205 S208 L214 L215	M174-F211 HydrophobicContact CG-CE1 4.35Å; M174-F211 HydrophobicContact SD-CD1 4.04Å; M174-F211 HydrophobicContact SD-CE1 4.27Å; L205-F211 WeakPolarHBondContact O-CB 3.46Å; S208-F211 PolarHBondContact O-N 3.38Å; F211-L214 WeakPolarHBondContact O-CB 3.48Å; F211-L214 PolarHBondContact O-N 2.88Å; F211-L215 HydrophobicContact CD1-CD1 4.25Å; F211-L215 HydrophobicContact CE1-CD1 3.82Å; F211-L215 HydrophobicContact CE1-CG 4.48Å; F211-L215 HydrophobicContact CZ-CD1 4.3Å; F211-L215 PolarHBondContact O-N 2.9Å; F211-L215 VanDerWaalsContact O-N 3.13Å
212	Q	87.1	Confident	84	Confident	37 Å²	37	61.1 Å²	61.1	17%	0.173	35%	0.348	C	S	.	.	H	α-helix	trans	-61.6	-50.1	174.9	-65.7	-175.6	-4.6	0	0	111.8	Y171 M174 C206 S208 L214 L215 I216	Y171-Q212 HydrophobicContact CE2-CB 4.18Å; M174-Q212 HydrophobicContact CE-CG 3.79Å; M174-Q212 HydrophobicContact SD-CG 3.84Å; C206-Q212 WeakPolarHBondContact O-CG 3.33Å; C206-Q212 PolarHBondContact O-NE2 3.4Å; S208-Q212 WeakPolarHBondContact O-CG 3.44Å; S208-Q212 PolarHBondContact O-N 3.32Å; Q212-L214 VanDerWaalsContact C-N 3.26Å; Q212-L214 PolarHBondContact O-N 3.47Å; Q212-L215 PolarHBondContact O-N 3.05Å; Q212-L215 VanDerWaalsContact O-N 3.15Å; Q212-I216 WeakPolarHBondContact O-CG1 3.44Å; Q212-I216 PolarHBondContact O-N 3.23Å
213	N	85.9	Confident	83	Confident	99 Å²	99	60 Å²	60	53%	0.529	34%	0.343	S	S	.	.	H	α-helix	trans	-63.7	-33	178.9	-70.2	-20.9	0	0	0	112.3	P209 I216 A217	P209-N213 VanDerWaalsContact O-CB 3.31Å; P209-N213 WeakPolarHBondContact O-CB 3.47Å; P209-N213 PolarHBondContact O-N 2.89Å; P209-N213 PolarHBondContact O-ND2 3.41Å; N213-I216 PolarHBondContact O-N 3.43Å; N213-A217 WeakPolarHBondContact O-CB 3.35Å; N213-A217 PolarHBondContact O-N 3.42Å
214	L	86.2	Confident	82.2	Confident	96 Å²	96	61.8 Å²	61.8	50%	0.503	36%	0.355	S	S	.	.	H	α-helix	trans	-62.2	-46.5	173.2	179.6	68.7	0	0	0	111.4	L210 F211 Q212 A217 M218	L210-L214 VanDerWaalsContact O-CB 3.32Å; L210-L214 WeakPolarHBondContact O-CB 3.43Å; L210-L214 PolarHBondContact O-N 3.43Å; F211-L214 WeakPolarHBondContact O-CB 3.48Å; F211-L214 PolarHBondContact O-N 2.88Å; Q212-L214 VanDerWaalsContact C-N 3.26Å; Q212-L214 PolarHBondContact O-N 3.47Å; L214-A217 PolarHBondContact O-N 3.25Å; L214-M218 HydrophobicContact CG-SD 4.49Å; L214-M218 VanDerWaalsContact O-CG 3.32Å; L214-M218 WeakPolarHBondContact O-CG 3.24Å; L214-M218 PolarHBondContact O-N 2.84Å
215	L	84	Confident	81.3	Confident	23 Å²	23	58 Å²	58	12%	0.12	33%	0.333	C	S	.	.	H	α-helix	trans	-67.2	-37.7	178.5	-65.1	179.3	0	0	0	112.1	A170 M174 F211 Q212 M218 D219	A170-L215 HydrophobicContact CB-CB 4.34Å; A170-L215 HydrophobicContact CB-CD2 4.16Å; M174-L215 HydrophobicContact CB-CD1 3.58Å; M174-L215 HydrophobicContact CG-CD1 3.82Å; M174-L215 HydrophobicContact SD-CD1 3.61Å; F211-L215 HydrophobicContact CD1-CD1 4.25Å; F211-L215 HydrophobicContact CE1-CD1 3.82Å; F211-L215 HydrophobicContact CE1-CG 4.48Å; F211-L215 HydrophobicContact CZ-CD1 4.3Å; F211-L215 PolarHBondContact O-N 2.9Å; F211-L215 VanDerWaalsContact O-N 3.13Å; Q212-L215 PolarHBondContact O-N 3.05Å; Q212-L215 VanDerWaalsContact O-N 3.15Å; L215-M218 HydrophobicContact CD2-SD 4.2Å; L215-M218 WeakPolarHBondContact O-CB 3.36Å; L215-M218 PolarHBondContact O-N 3.1Å; L215-D219 PolarHBondContact O-N 3.35Å
216	I	84.3	Confident	80.1	Confident	82 Å²	82	58.3 Å²	58.3	42%	0.421	33%	0.334	S	S	.	.	H	α-helix	trans	-61.2	-44.9	172.6	-66.5	167.1	0	0	0	110.8	Y171 Q212 N213 M218 D219 G220	Y171-I216 HydrophobicContact CD2-CD1 3.9Å; Y171-I216 HydrophobicContact CD2-CG1 3.5Å; Y171-I216 HydrophobicContact CE2-CD1 3.82Å; Y171-I216 HydrophobicContact CE2-CG1 3.98Å; Y171-I216 HydrophobicContact CG-CG1 3.93Å; Q212-I216 WeakPolarHBondContact O-CG1 3.44Å; Q212-I216 PolarHBondContact O-N 3.23Å; N213-I216 PolarHBondContact O-N 3.43Å; I216-M218 VanDerWaalsContact C-N 3.33Å; I216-M218 PolarHBondContact O-N 3.41Å; I216-D219 PolarHBondContact O-N 3.44Å; I216-G220 PolarHBondContact O-N 3.48Å
217	A	80.7	Confident	78.7	Confident	61 Å²	61	64.4 Å²	64.4	50%	0.504	36%	0.36	S	S	.	.	H	α-helix	trans	-65.1	-36.9	177.1	0	0	0	0	0	112	N213 L214 G220 L221	N213-A217 WeakPolarHBondContact O-CB 3.35Å; N213-A217 PolarHBondContact O-N 3.42Å; L214-A217 PolarHBondContact O-N 3.25Å; A217-G220 PolarHBondContact O-N 3.43Å; A217-L221 WeakPolarHBondContact O-CB 3.43Å; A217-L221 PolarHBondContact O-N 3.24Å
218	M	78.5	Confident	77.3	Confident	75 Å²	75	65.2 Å²	65.2	37%	0.369	36%	0.36	S	S	.	.	H	α-helix	trans	-64.7	-44.4	173.5	-74.6	-178.9	64.8	0	0	112.2	V165 L214 L215 I216 G220 L221 A222	V165-M218 HydrophobicContact CG2-CE 3.86Å; L214-M218 HydrophobicContact CG-SD 4.49Å; L214-M218 VanDerWaalsContact O-CG 3.32Å; L214-M218 WeakPolarHBondContact O-CG 3.24Å; L214-M218 PolarHBondContact O-N 2.84Å; L215-M218 HydrophobicContact CD2-SD 4.2Å; L215-M218 WeakPolarHBondContact O-CB 3.36Å; L215-M218 PolarHBondContact O-N 3.1Å; I216-M218 VanDerWaalsContact C-N 3.33Å; I216-M218 PolarHBondContact O-N 3.41Å; M218-G220 VanDerWaalsContact C-N 3.33Å; M218-L221 PolarHBondContact O-N 3.21Å; M218-A222 WeakPolarHBondContact O-CB 3.47Å; M218-A222 PolarHBondContact O-N 3.47Å
219	D	78.3	Confident	75.4	Confident	11 Å²	11	64 Å²	64	6%	0.059	35%	0.352	C	S	.	.	H	α-helix	trans	-63.3	-41.1	175.3	-79.3	-29.6	0	0	0	111.1	G168 L169 A170 Y171 L215 I216 A222 N223	G168-D219 PolarHBondContact N-OD1 3.49Å; L169-D219 PolarHBondContact N-OD1 3.24Å; L169-D219 VanDerWaalsContact N-OD1 3.15Å; A170-D219 VanDerWaalsContact CB-OD1 3.23Å; A170-D219 WeakPolarHBondContact CB-OD1 3.36Å; A170-D219 PolarHBondContact N-OD1 2.94Å; A170-D219 PolarHBondContact N-OD2 2.91Å; A170-D219 VanDerWaalsContact N-OD2 3.14Å; Y171-D219 WeakPolarHBondContact CB-OD2 3.38Å; Y171-D219 PolarHBondContact N-OD2 3.48Å; L215-D219 PolarHBondContact O-N 3.35Å; I216-D219 PolarHBondContact O-N 3.44Å; D219-A222 PolarHBondContact O-N 3.18Å; D219-N223 WeakPolarHBondContact O-CB 3.32Å; D219-N223 PolarHBondContact O-N 2.89Å; D219-N223 PolarHBondContact O-ND2 2.77Å
220	G	77.2	Confident	73.5	Confident	34 Å²	34	64.9 Å²	64.9	35%	0.351	35%	0.352	S	S	.	.	H	α-helix	trans	-59.5	-47.3	173.2	0	0	0	0	0	112.7	I216 A217 M218 N223 T224	I216-G220 PolarHBondContact O-N 3.48Å; A217-G220 PolarHBondContact O-N 3.43Å; M218-G220 VanDerWaalsContact C-N 3.33Å; G220-N223 WeakPolarHBondContact O-CB 3.3Å; G220-N223 PolarHBondContact O-N 3.12Å; G220-T224 PolarHBondContact O-N 2.95Å; G220-T224 PolarHBondContact O-OG1 2.8Å
221	L	74.7	Confident	71.7	Confident	58 Å²	58	62.7 Å²	62.7	30%	0.304	34%	0.341	S	S	.	.	H	α-helix	trans	-65.9	-39.8	178.6	-172.6	67.7	0	0	0	112.4	Y148 A217 M218 N223 T224 W225	Y148-L221 HydrophobicContact CD2-CD1 3.54Å; Y148-L221 HydrophobicContact CE2-CD1 3.55Å; A217-L221 WeakPolarHBondContact O-CB 3.43Å; A217-L221 PolarHBondContact O-N 3.24Å; M218-L221 PolarHBondContact O-N 3.21Å; L221-N223 VanDerWaalsContact C-N 3.32Å; L221-T224 WeakPolarHBondContact CA-OG1 3.1Å; L221-T224 PolarHBondContact O-N 3.48Å; L221-T224 PolarHBondContact O-OG1 2.85Å; L221-W225 HydrophobicContact CD1-CD2 4.43Å; L221-W225 HydrophobicContact CD1-CH2 4.3Å; L221-W225 HydrophobicContact CD1-CZ2 3.74Å; L221-W225 HydrophobicContact CD2-CH2 3.38Å; L221-W225 HydrophobicContact CD2-CZ2 3.66Å; L221-W225 HydrophobicContact CD2-CZ3 3.9Å; L221-W225 HydrophobicContact CG-CD2 4.11Å; L221-W225 HydrophobicContact CG-CE3 4.2Å; L221-W225 HydrophobicContact CG-CH2 3.74Å; L221-W225 HydrophobicContact CG-CZ2 3.68Å; L221-W225 HydrophobicContact CG-CZ3 4Å; L221-W225 PolarHBondContact O-N 2.76Å
222	A	70.3	Confident	69.9	Low	14 Å²	14	62.7 Å²	62.7	12%	0.116	35%	0.345	C	S	.	.	H	α-helix	trans	-64.5	-38.6	175.3	0	0	0	0	0	111.4	V165 A167 M218 D219 L226	V165-A222 HydrophobicContact CB-CB 4.19Å; V165-A222 HydrophobicContact CG1-CB 3.69Å; A167-A222 HydrophobicContact CB-CB 4.06Å; M218-A222 WeakPolarHBondContact O-CB 3.47Å; M218-A222 PolarHBondContact O-N 3.47Å; D219-A222 PolarHBondContact O-N 3.18Å; A222-L226 WeakPolarHBondContact O-CB 3.33Å; A222-L226 PolarHBondContact O-N 2.93Å
223	N	68.8	Low	67.8	Low	58 Å²	58	67.8 Å²	67.8	31%	0.31	37%	0.366	S	S	.	.	H	α-helix	trans	-63.8	-50	173	-79.1	-43.6	0	0	0	111.4	A167 D219 G220 L221 W225 L226 F227	A167-N223 WeakPolarHBondContact CB-OD1 3.31Å; D219-N223 WeakPolarHBondContact O-CB 3.32Å; D219-N223 PolarHBondContact O-N 2.89Å; D219-N223 PolarHBondContact O-ND2 2.77Å; G220-N223 WeakPolarHBondContact O-CB 3.3Å; G220-N223 PolarHBondContact O-N 3.12Å; L221-N223 VanDerWaalsContact C-N 3.32Å; N223-W225 VanDerWaalsContact C-N 3.3Å; N223-W225 PolarHBondContact O-N 3.47Å; N223-L226 VanDerWaalsContact O-CB 3.32Å; N223-L226 WeakPolarHBondContact O-CB 3.46Å; N223-L226 PolarHBondContact O-N 3.26Å; N223-F227 HydrophobicContact CB-CE2 4.34Å; N223-F227 WeakPolarHBondContact O-CD2 3.48Å; N223-F227 PolarHBondContact O-N 2.89Å
224	T	70.2	Confident	65.9	Low	63 Å²	63	65.9 Å²	65.9	39%	0.387	36%	0.358	S	S	.	.	H	α-helix	trans	-59.1	-41	179.2	51.3	0	0	0	0	112.1	G220 L221 L226 F227 D228	G220-T224 PolarHBondContact O-N 2.95Å; G220-T224 PolarHBondContact O-OG1 2.8Å; L221-T224 WeakPolarHBondContact CA-OG1 3.1Å; L221-T224 PolarHBondContact O-N 3.48Å; L221-T224 PolarHBondContact O-OG1 2.85Å; T224-L226 VanDerWaalsContact C-N 3.33Å; T224-L226 PolarHBondContact O-N 3.24Å; T224-F227 PolarHBondContact O-N 2.91Å; T224-D228 PolarHBondContact O-N 2.94Å
225	W	69	Low	63.9	Low	27 Å²	27	63.4 Å²	63.4	10%	0.102	35%	0.351	C	S	.	.	H	α-helix	trans	-71.1	-25.4	176.1	-70.7	-16.1	0	0	0	114.5	Y148 C151 M155 W163 L221 N223 F227 A229	Y148-W225 AromaticContact CD2-NE1 3.76Å; Y148-W225 AromaticContact CE1-NE1 3.97Å; Y148-W225 AromaticContact CE2-CD1 3.67Å; Y148-W225 AromaticContact CE2-NE1 3.04Å; Y148-W225 AromaticContact CZ-CD1 3.54Å; Y148-W225 AromaticContact CZ-NE1 3.18Å; Y148-W225 PolarHBondContact OH-NE1 3.19Å; C151-W225 HydrophobicContact CB-CH2 3.91Å; C151-W225 HydrophobicContact CB-CZ2 3.92Å; M155-W225 HydrophobicContact CE-CE3 4.09Å; M155-W225 HydrophobicContact CE-CH2 3.02Å; M155-W225 HydrophobicContact CE-CZ2 4.08Å; M155-W225 HydrophobicContact CE-CZ3 3.03Å; M155-W225 HydrophobicContact SD-CH2 4.42Å; M155-W225 HydrophobicContact SD-CZ3 3.88Å; W163-W225 HydrophobicContact CE3-CE3 4.09Å; W163-W225 HydrophobicContact CH2-CE3 4.39Å; W163-W225 HydrophobicContact CZ3-CB 3.99Å; W163-W225 AromaticContact CZ3-CD2 3.98Å; W163-W225 HydrophobicContact CZ3-CD2 3.98Å; W163-W225 AromaticContact CZ3-CE3 3.51Å; W163-W225 HydrophobicContact CZ3-CE3 3.51Å; W163-W225 HydrophobicContact CZ3-CG 4.22Å; W163-W225 HydrophobicContact CZ3-CZ3 4.32Å; L221-W225 HydrophobicContact CD1-CD2 4.43Å; L221-W225 HydrophobicContact CD1-CH2 4.3Å; L221-W225 HydrophobicContact CD1-CZ2 3.74Å; L221-W225 HydrophobicContact CD2-CH2 3.38Å; L221-W225 HydrophobicContact CD2-CZ2 3.66Å; L221-W225 HydrophobicContact CD2-CZ3 3.9Å; L221-W225 HydrophobicContact CG-CD2 4.11Å; L221-W225 HydrophobicContact CG-CE3 4.2Å; L221-W225 HydrophobicContact CG-CH2 3.74Å; L221-W225 HydrophobicContact CG-CZ2 3.68Å; L221-W225 HydrophobicContact CG-CZ3 4Å; L221-W225 PolarHBondContact O-N 2.76Å; N223-W225 VanDerWaalsContact C-N 3.3Å; N223-W225 PolarHBondContact O-N 3.47Å; W225-F227 VanDerWaalsContact C-N 3.29Å; W225-A229 WeakPolarHBondContact O-CB 3.49Å; W225-A229 PolarHBondContact O-N 3.5Å
226	L	62.9	Low	62.1	Low	102 Å²	102	66.6 Å²	66.6	53%	0.534	38%	0.375	S	S	.	.	H	α-helix	trans	-67.3	-34.8	172.4	-167.5	75.4	0	0	0	110.8	A167 A222 N223 T224	A167-L226 HydrophobicContact CB-CD2 4.13Å; A222-L226 WeakPolarHBondContact O-CB 3.33Å; A222-L226 PolarHBondContact O-N 2.93Å; N223-L226 VanDerWaalsContact O-CB 3.32Å; N223-L226 WeakPolarHBondContact O-CB 3.46Å; N223-L226 PolarHBondContact O-N 3.26Å; T224-L226 VanDerWaalsContact C-N 3.33Å; T224-L226 PolarHBondContact O-N 3.24Å
227	F	58.2	Low	60.1	Low	139 Å²	139	69.6 Å²	69.6	61%	0.61	39%	0.388	S	S	*	.	H	α-helix	trans	-83.8	-41.7	179.6	-64.5	-66.1	0	0	0	113.3	N223 T224 W225 A229 D230	N223-F227 HydrophobicContact CB-CE2 4.34Å; N223-F227 WeakPolarHBondContact O-CD2 3.48Å; N223-F227 PolarHBondContact O-N 2.89Å; T224-F227 PolarHBondContact O-N 2.91Å; W225-F227 VanDerWaalsContact C-N 3.29Å; F227-A229 PolarHBondContact O-N 3.36Å; F227-D230 PolarHBondContact O-N 2.82Å
228	D	57.3	Low	58.3	Low	67 Å²	67	70.1 Å²	70.1	36%	0.358	39%	0.388	S	S	.	.	H	α-helix	trans	-64.4	-24.4	175.2	-78.6	-3	0	0	0	112.5	Y148 T224 D230 D231	Y148-D228 PolarHBondContact OH-OD2 3.35Å; T224-D228 PolarHBondContact O-N 2.94Å; D228-D230 VanDerWaalsContact C-N 3.25Å; D228-D230 PolarHBondContact O-N 3.38Å; D228-D231 PolarHBondContact O-N 3.22Å
229	A	50.1	Low	56.7	Low	13 Å²	13	73.2 Å²	73.2	11%	0.107	41%	0.405	C	S	.	.	H	α-helix	trans	-63.7	-24.6	-178	0	0	0	0	0	114.7	R160 W225 F227	R160-A229 PolarHBondContact NH1-O 2.93Å; W225-A229 WeakPolarHBondContact O-CB 3.49Å; W225-A229 PolarHBondContact O-N 3.5Å; F227-A229 PolarHBondContact O-N 3.36Å
230	D	46.7	Very low	54.9	Low	101 Å²	101	81.7 Å²	81.7	54%	0.54	44%	0.441	S	S	.	.	H	α-helix	trans	-81.6	-22.5	-179.3	-78.4	-19.3	0	0	0	112.1	F227 D228 V234	F227-D230 PolarHBondContact O-N 2.82Å; D228-D230 VanDerWaalsContact C-N 3.25Å; D228-D230 PolarHBondContact O-N 3.38Å; D230-V234 WeakPolarHBondContact O-CG2 3.33Å
231	D	49.2	Very low	53.2	Low	94 Å²	94	87.1 Å²	87.1	50%	0.503	46%	0.461	S	S	.	.	H	α-helix	trans	-84.9	-37.2	-179.8	-84.1	-39.5	0	0	0	113.3	D228 A235	D228-D231 PolarHBondContact O-N 3.22Å; D231-A235 PolarHBondContact O-N 3.1Å
232	D	48.1	Very low	51.4	Low	63 Å²	63	89.8 Å²	89.8	34%	0.337	49%	0.485	S	S	.	.	H	α-helix	trans	-78.5	-25.1	-172.6	-77.1	-23.3	0	0	0	114.3	K152 S236	K152-D232 IonicContact NZ-OD2 3.9Å; K152-D232 PolarHBondContact NZ-OD2 2.6Å; D232-S236 PolarHBondContact O-OG 2.72Å
233	F	42.4	Very low	49.8	Very low	144 Å²	144	96.6 Å²	96.6	63%	0.632	52%	0.52	S	S	*	.	H	α-helix	trans	-77.4	-27.5	177.2	-159.3	-96	0	0	0	111.9
234	V	46.5	Very low	48.4	Very low	59 Å²	59	101 Å²	101	36%	0.358	54%	0.543	S	S	.	.	H	α-helix	trans	-79.1	-35.8	177.3	179.8	0	0	0	0	111.1	D230 S238	D230-V234 WeakPolarHBondContact O-CG2 3.33Å; V234-S238 PolarHBondContact O-OG 3.46Å
235	A	44.4	Very low	47.2	Very low	43 Å²	43	105.9 Å²	105.9	36%	0.355	57%	0.565	S	S	.	*	H	α-helix	trans	-71.2	-30.8	-176.9	0	0	0	0	0	114.4	D231 S238 L239	D231-A235 PolarHBondContact O-N 3.1Å; A235-S238 PolarHBondContact O-OG 2.78Å; A235-L239 WeakPolarHBondContact O-CD1 3.45Å; A235-L239 WeakPolarHBondContact O-CG 3.48Å
236	S	46.3	Very low	45.8	Very low	90 Å²	90	112.1 Å²	112.1	63%	0.629	60%	0.601	S	S	*	*	H	α-helix	trans	-81.1	-20.9	-171.6	-57.3	0	0	0	0	114.1	D232	D232-S236 PolarHBondContact O-OG 2.72Å
237	E	41.4	Very low	44.4	Very low	146 Å²	146	118.2 Å²	118.2	68%	0.682	62%	0.616	S	S	*	*	H	α-helix	trans	-102.4	-19.2	-178.2	-140.4	151.9	-152.2	0	0	112.2
238	S	43.1	Very low	43.2	Very low	72 Å²	72	119.1 Å²	119.1	50%	0.503	63%	0.628	S	S	.	*	H	α-helix	trans	-80.6	-13.2	172.6	53.5	0	0	0	0	114.8	V234 A235 K240	V234-S238 PolarHBondContact O-OG 3.46Å; A235-S238 PolarHBondContact O-OG 2.78Å; S238-K240 VanDerWaalsContact C-N 3.3Å; S238-K240 PolarHBondContact O-N 2.83Å
239	L	45.2	Very low	42.1	Very low	139 Å²	139	121.3 Å²	121.3	73%	0.728	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	15.7	-177.9	-76.3	170.7	0	0	0	114.5	A235	A235-L239 WeakPolarHBondContact O-CD1 3.45Å; A235-L239 WeakPolarHBondContact O-CG 3.48Å
240	K	42	Very low	41.7	Very low	190 Å²	190	127.4 Å²	127.4	83%	0.826	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128	5.7	179.3	-70.2	-174.1	179.5	175.4	0	115.2	S238	S238-K240 VanDerWaalsContact C-N 3.3Å; S238-K240 PolarHBondContact O-N 2.83Å
241	L	39.6	Very low	41	Very low	147 Å²	147	128.2 Å²	128.2	77%	0.77	69%	0.691	S	S	*	*	S	Bend	trans	-140.4	114.9	178.2	-84.7	143.3	0	0	0	107.9
242	S	37.8	Very low	40.4	Very low	115 Å²	115	129.4 Å²	129.4	80%	0.804	71%	0.707	S	S	*	*			trans	90.4	71.8	-179.1	85.5	0	0	0	0	117.1
243	D	37	Very low	40.6	Very low	157 Å²	157	128.2 Å²	128.2	84%	0.84	70%	0.704	S	S	*	*			trans	-70.7	146.4	137.6	-76.4	-35	0	0	0	107.4
244	D	38.7	Very low	41.7	Very low	151 Å²	151	130.5 Å²	130.5	81%	0.807	71%	0.709	S	S	*	*			trans	89.2	82.3	-173.1	-49.4	-29.1	0	0	0	114.6
245	I	46	Very low	42.9	Very low	165 Å²	165	131.5 Å²	131.5	85%	0.846	71%	0.712	S	S	*	*	S	Bend	trans	-171.5	131.8	134.7	-86.4	144.5	0	0	0	108	R247	I245-R247 PolarHBondContact O-N 2.81Å
246	D	38.7	Very low	44.6	Very low	158 Å²	158	133.5 Å²	133.5	85%	0.845	71%	0.714	S	S	*	*			trans	-44.7	113.2	-171.3	-66.6	-54.7	0	0	0	115.8	N248	D246-N248 PolarHBondContact O-N 2.87Å; D246-N248 VanDerWaalsContact O-N 3.15Å
247	R	33.7	Very low	45.9	Very low	229 Å²	229	135.5 Å²	135.5	86%	0.864	71%	0.711	S	S	*	*			trans	-76.8	85.7	163.6	-72.3	-175.3	175.4	-172	-0.2	109.4	I245	I245-R247 PolarHBondContact O-N 2.81Å
248	N	32.6	Very low	47.6	Very low	159 Å²	159	129.2 Å²	129.2	85%	0.85	68%	0.683	S	S	*	*			trans	-162.5	123.7	157.1	-92	-28.9	0	0	0	109.5	D246	D246-N248 PolarHBondContact O-N 2.87Å; D246-N248 VanDerWaalsContact O-N 3.15Å
249	S	35.6	Very low	49.3	Very low	113 Å²	113	129.5 Å²	129.5	79%	0.79	69%	0.685	S	S	*	*	S	Bend	trans	86.2	94.4	-176.8	-164.7	0	0	0	0	115.2
250	I	40.6	Very low	50.9	Low	141 Å²	141	124.5 Å²	124.5	72%	0.723	66%	0.66	S	S	*	*			trans	179.1	80.8	132	-76.4	142.6	0	0	0	104.8
251	S	32.6	Very low	52.6	Low	118 Å²	118	120.3 Å²	120.3	83%	0.825	65%	0.653	S	S	*	*			trans	-87.5	122.3	161.8	-64.4	0	0	0	0	106.6
252	S	36	Very low	54.5	Low	119 Å²	119	115.7 Å²	115.7	83%	0.832	64%	0.641	S	S	*	*			trans	109.3	20	164.6	83.2	0	0	0	0	122.2
253	S	53.2	Low	56.8	Low	38 Å²	38	110.4 Å²	110.4	27%	0.266	60%	0.604	S	S	.	*			trans	-92	117.7	169.1	63.4	0	0	0	0	112.2	I255	S253-I255 WeakPolarHBondContact O-CG1 3.3Å; S253-I255 PolarHBondContact O-N 3.49Å
254	Y	63.9	Low	59.3	Low	191 Å²	191	106.4 Å²	106.4	75%	0.749	58%	0.577	S	S	*	*			trans	-66.8	97.5	174.3	-162.3	-93.2	0	0	0	109.7
255	I	73.5	Confident	61.6	Low	80 Å²	80	99.4 Å²	99.4	41%	0.41	54%	0.54	S	S	.	.			trans	-91.6	114	177.1	-51.1	-169.1	0	0	0	108.6	S253 K257 Y264 A265 T266	S253-I255 WeakPolarHBondContact O-CG1 3.3Å; S253-I255 PolarHBondContact O-N 3.49Å; I255-K257 HydrophobicContact CG2-CG 4.21Å; I255-K257 PolarHBondContact O-N 3.35Å; I255-Y264 HydrophobicContact CG2-CD2 4.07Å; I255-Y264 HydrophobicContact CG2-CG 4.34Å; I255-A265 CarbonylContact C-O 3.55Å; I255-A265 WeakPolarHBondContact CA-O 2.95Å; I255-T266 HydrophobicContact CB-CG2 4.41Å; I255-T266 HydrophobicContact CD1-CG2 4.27Å; I255-T266 HydrophobicContact CG1-CG2 3.95Å; I255-T266 HydrophobicContact CG2-CG2 4.11Å
256	Q	78.2	Confident	63.6	Low	85 Å²	85	93 Å²	93	40%	0.397	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	101.6	170.3	-176.1	-177.9	-2.4	0	0	108.6	Y264 A265 L324	Q256-Y264 CarbonylContact O-C 3.6Å; Q256-Y264 WeakPolarHBondContact O-CA 3.48Å; Q256-A265 HydrophobicContact CB-CB 4.3Å; Q256-A265 PolarHBondContact N-O 3.29Å; Q256-A265 PolarHBondContact O-N 2.98Å; Q256-L324 HydrophobicContact CG-CD2 3.99Å
257	K	75.1	Confident	65.8	Low	133 Å²	133	86.9 Å²	86.9	58%	0.578	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	149.5	175.9	-64.9	179.1	-175.7	170.8	0	110.6	I255	I255-K257 HydrophobicContact CG2-CG 4.21Å; I255-K257 PolarHBondContact O-N 3.35Å
258	S	77.4	Confident	68.2	Low	14 Å²	14	76 Å²	76	10%	0.098	44%	0.435	C	S	.	.			trans	-104.3	157	174.5	131.5	0	0	0	0	110.6	V260 C263 T322	S258-V260 PolarHBondContact O-N 3.37Å; S258-V260 PolarHBondContact OG-N 3.36Å; S258-V260 PolarHBondContact OG-O 3.25Å; S258-C263 WeakPolarHBondContact CB-O 3.2Å; S258-C263 PolarHBondContact N-O 3Å; S258-T322 WeakPolarHBondContact CB-O 3.31Å; S258-T322 WeakPolarHBondContact OG-CA 3.26Å; S258-T322 WeakPolarHBondContact OG-CB 3.23Å; S258-T322 WeakPolarHBondContact OG-CG2 3.48Å
259	S	77.7	Confident	70.6	Confident	77 Å²	77	72.5 Å²	72.5	54%	0.538	41%	0.41	S	S	.	.	S	Bend	trans	-62.8	-22	173.9	59.4	0	0	0	0	113.7	K321	S259-K321 PolarHBondContact OG-O 3.46Å
260	V	78.5	Confident	72.6	Confident	34 Å²	34	69.2 Å²	69.2	21%	0.206	38%	0.384	C	S	.	.	S	Bend	trans	-85.8	123.3	174.3	-174	0	0	0	0	110.1	S258 G262 C263 L318 K321 T322	S258-V260 PolarHBondContact O-N 3.37Å; S258-V260 PolarHBondContact OG-N 3.36Å; S258-V260 PolarHBondContact OG-O 3.25Å; V260-G262 PolarHBondContact O-N 3.47Å; V260-C263 HydrophobicContact CB-CB 4.47Å; V260-C263 PolarHBondContact O-N 2.92Å; V260-L318 HydrophobicContact CG1-CD1 4.24Å; V260-K321 HydrophobicContact CG2-CB 3.78Å; V260-T322 HydrophobicContact CB-CG2 3.96Å; V260-T322 HydrophobicContact CG2-CG2 3.86Å
261	P	77.8	Confident	74.3	Confident	103 Å²	103	71.2 Å²	71.2	67%	0.669	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	136.7	179.1	-26	33.8	0	0	0	112.9	C263	P261-C263 VanDerWaalsContact C-N 3.27Å; P261-C263 PolarHBondContact O-N 3.13Å
262	G	80.5	Confident	76.3	Confident	50 Å²	50	72.4 Å²	72.4	52%	0.515	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	-5.2	179.1	0	0	0	0	0	115.5	V260	V260-G262 PolarHBondContact O-N 3.47Å
263	C	85.9	Confident	78.1	Confident	4 Å²	4	69.3 Å²	69.3	3%	0.027	38%	0.375	C	S	.	.			trans	-101.4	131.7	175	-55.8	0	0	0	0	110.7	S258 V260 P261 I288 L289 Q290 T322 L324	S258-C263 WeakPolarHBondContact CB-O 3.2Å; S258-C263 PolarHBondContact N-O 3Å; V260-C263 HydrophobicContact CB-CB 4.47Å; V260-C263 PolarHBondContact O-N 2.92Å; P261-C263 VanDerWaalsContact C-N 3.27Å; P261-C263 PolarHBondContact O-N 3.13Å; C263-I288 CarbonylContact C-O 3.4Å; C263-I288 WeakPolarHBondContact CA-O 3.29Å; C263-L289 HydrophobicContact CB-CD2 4.35Å; C263-Q290 PolarHBondContact SG-N 2.92Å; C263-T322 HydrophobicContact CB-CG2 3.67Å; C263-L324 HydrophobicContact CB-CD1 4.27Å
264	Y	88.7	Confident	79.2	Confident	73 Å²	73	74.3 Å²	74.3	29%	0.286	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	161.3	178.1	58.1	-89.1	0	0	0	110.6	I255 Q256 T266 I288 R357	I255-Y264 HydrophobicContact CG2-CD2 4.07Å; I255-Y264 HydrophobicContact CG2-CG 4.34Å; Q256-Y264 CarbonylContact O-C 3.6Å; Q256-Y264 WeakPolarHBondContact O-CA 3.48Å; Y264-T266 HydrophobicContact CD2-CG2 3.81Å; Y264-T266 HydrophobicContact CE2-CG2 3.88Å; Y264-I288 HydrophobicContact CD1-CB 4.37Å; Y264-I288 HydrophobicContact CD2-CB 4.44Å; Y264-I288 HydrophobicContact CD2-CD1 3.71Å; Y264-I288 HydrophobicContact CD2-CG1 4.32Å; Y264-I288 HydrophobicContact CE1-CB 4.15Å; Y264-I288 HydrophobicContact CE1-CG1 4.42Å; Y264-I288 HydrophobicContact CE1-CG2 4.16Å; Y264-I288 HydrophobicContact CE2-CB 4.22Å; Y264-I288 HydrophobicContact CE2-CD1 3.36Å; Y264-I288 HydrophobicContact CE2-CG1 3.77Å; Y264-I288 PolarHBondContact N-O 2.89Å; Y264-I288 PolarHBondContact O-N 3.36Å; Y264-R357 PolarHBondContact OH-NH2 2.8Å
265	A	87.2	Confident	80	Confident	3 Å²	3	67.3 Å²	67.3	3%	0.025	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	140.1	169.7	0	0	0	0	0	110.9	I255 Q256 Y286 V287 L324	I255-A265 CarbonylContact C-O 3.55Å; I255-A265 WeakPolarHBondContact CA-O 2.95Å; Q256-A265 HydrophobicContact CB-CB 4.3Å; Q256-A265 PolarHBondContact N-O 3.29Å; Q256-A265 PolarHBondContact O-N 2.98Å; A265-Y286 CarbonylContact C-O 3.56Å; A265-Y286 WeakPolarHBondContact CA-O 3.4Å; A265-V287 HydrophobicContact CB-CG2 4.11Å; A265-L324 HydrophobicContact CB-CD2 4.05Å
266	T	87.6	Confident	80.4	Confident	30 Å²	30	64.7 Å²	64.7	18%	0.184	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	153.4	176.7	49	0	0	0	0	109	I255 Y264 K285 Y286	I255-T266 HydrophobicContact CB-CG2 4.41Å; I255-T266 HydrophobicContact CD1-CG2 4.27Å; I255-T266 HydrophobicContact CG1-CG2 3.95Å; I255-T266 HydrophobicContact CG2-CG2 4.11Å; Y264-T266 HydrophobicContact CD2-CG2 3.81Å; Y264-T266 HydrophobicContact CE2-CG2 3.88Å; T266-K285 CarbonylContact O-C 3.47Å; T266-K285 WeakPolarHBondContact O-CA 3.48Å; T266-Y286 PolarHBondContact N-O 2.75Å; T266-Y286 PolarHBondContact O-N 2.93Å
267	L	85.1	Confident	80.6	Confident	31 Å²	31	66.9 Å²	66.9	16%	0.162	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	144.5	173.3	-62.1	158.6	0	0	0	109.8	Y269 R283	L267-Y269 HydrophobicContact CB-CE2 4.23Å; L267-Y269 WeakPolarHBondContact O-CD2 3.11Å; L267-Y269 WeakPolarHBondContact O-CE2 3.11Å; L267-R283 HydrophobicContact CD2-CG 4.29Å
268	A	84.3	Confident	80.9	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	34%	0.337	C	S	.	.			trans	-85.7	133.4	175.2	0	0	0	0	0	109.8	S276 L284 Y286 L361	A268-S276 PolarHBondContact O-N 3.43Å; A268-S276 PolarHBondContact O-OG 2.62Å; A268-L284 HydrophobicContact CB-CB 3.81Å; A268-L284 PolarHBondContact N-O 3.24Å; A268-Y286 HydrophobicContact CB-CD2 3.61Å; A268-Y286 HydrophobicContact CB-CE2 3.44Å; A268-Y286 VanDerWaalsContact CB-CE2 3.44Å; A268-Y286 HydrophobicContact CB-CG 4.45Å; A268-L361 HydrophobicContact CB-CD1 3.8Å
269	Y	82.5	Confident	80.6	Confident	86 Å²	86	69.8 Å²	69.8	34%	0.337	37%	0.374	S	S	.	.	B	Isolated β-bridge	trans	-115.1	146.3	177.2	-60.5	-81.3	0	0	0	110.3	L267 R274 D275 S276	L267-Y269 HydrophobicContact CB-CE2 4.23Å; L267-Y269 WeakPolarHBondContact O-CD2 3.11Å; L267-Y269 WeakPolarHBondContact O-CE2 3.11Å; Y269-R274 CarbonylContact C-O 3.58Å; Y269-R274 WeakPolarHBondContact CA-O 3.36Å; Y269-D275 WeakPolarHBondContact CE1-OD1 3.34Å; Y269-S276 PolarHBondContact O-OG 2.8Å
270	D	78.7	Confident	80.4	Confident	44 Å²	44	73.1 Å²	73.1	24%	0.235	38%	0.381	C	S	.	.			trans	-75.9	172.3	171.1	73.3	3.4	0	0	0	110.9	Q272 G273 R274 S276	D270-Q272 PolarHBondContact O-N 3.43Å; D270-Q272 VanDerWaalsContact OD1-C 3.26Å; D270-Q272 VanDerWaalsContact OD1-CA 3.3Å; D270-Q272 WeakPolarHBondContact OD1-CA 3.42Å; D270-Q272 WeakPolarHBondContact OD1-CB 3.42Å; D270-Q272 PolarHBondContact OD1-N 2.9Å; D270-G273 PolarHBondContact O-N 2.87Å; D270-G273 PolarHBondContact OD1-N 2.83Å; D270-R274 PolarHBondContact N-O 3.3Å; D270-R274 WeakPolarHBondContact OD1-CB 3.33Å; D270-R274 PolarHBondContact OD1-N 2.89Å; D270-R274 IonicContact OD1-NE 3.5Å; D270-R274 IonicContact OD2-CZ 3.78Å; D270-R274 IonicContact OD2-NE 3.32Å; D270-R274 PolarHBondContact OD2-NE 3.35Å; D270-R274 IonicContact OD2-NH2 3.38Å; D270-R274 PolarHBondContact OD2-NH2 3.22Å; D270-S276 PolarHBondContact N-OG 3.25Å; D270-S276 VanDerWaalsContact N-OG 3.14Å
271	D	76.7	Confident	80.3	Confident	183 Å²	183	74 Å²	74	98%	0.979	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-12.4	178.2	-62.5	-23.6	0	0	0	113.3
272	Q	73.6	Confident	80.5	Confident	142 Å²	142	70.5 Å²	70.5	66%	0.664	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	3.3	176.8	-54.7	-172.5	-0.1	0	0	112.7	D270 R274	D270-Q272 PolarHBondContact O-N 3.43Å; D270-Q272 VanDerWaalsContact OD1-C 3.26Å; D270-Q272 VanDerWaalsContact OD1-CA 3.3Å; D270-Q272 WeakPolarHBondContact OD1-CA 3.42Å; D270-Q272 WeakPolarHBondContact OD1-CB 3.42Å; D270-Q272 PolarHBondContact OD1-N 2.9Å; Q272-R274 VanDerWaalsContact C-N 3.31Å; Q272-R274 HydrophobicContact CB-CG 4.43Å; Q272-R274 PolarHBondContact O-N 3.13Å; Q272-R274 VanDerWaalsContact OE1-NH2 3.09Å
273	G	74.1	Confident	80.7	Confident	54 Å²	54	72.8 Å²	72.8	56%	0.557	37%	0.366	S	S	*	.	S	Bend	trans	75.5	14.4	-179.1	0	0	0	0	0	114.6	D270	D270-G273 PolarHBondContact O-N 2.87Å; D270-G273 PolarHBondContact OD1-N 2.83Å
274	R	76	Confident	80.8	Confident	144 Å²	144	73.2 Å²	73.2	54%	0.543	37%	0.368	S	S	.	.	S	Bend	trans	-93	156.2	175.3	-55.3	176.3	-60.6	-171	1.4	110	Y269 D270 Q272 S276	Y269-R274 CarbonylContact C-O 3.58Å; Y269-R274 WeakPolarHBondContact CA-O 3.36Å; D270-R274 PolarHBondContact N-O 3.3Å; D270-R274 WeakPolarHBondContact OD1-CB 3.33Å; D270-R274 PolarHBondContact OD1-N 2.89Å; D270-R274 IonicContact OD1-NE 3.5Å; D270-R274 IonicContact OD2-CZ 3.78Å; D270-R274 IonicContact OD2-NE 3.32Å; D270-R274 PolarHBondContact OD2-NE 3.35Å; D270-R274 IonicContact OD2-NH2 3.38Å; D270-R274 PolarHBondContact OD2-NH2 3.22Å; Q272-R274 VanDerWaalsContact C-N 3.31Å; Q272-R274 HydrophobicContact CB-CG 4.43Å; Q272-R274 PolarHBondContact O-N 3.13Å; Q272-R274 VanDerWaalsContact OE1-NH2 3.09Å; R274-S276 PolarHBondContact O-N 3.42Å
275	D	80.1	Confident	80.9	Confident	44 Å²	44	70.7 Å²	70.7	24%	0.235	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-58.4	130.7	176.8	-67.8	-34.1	0	0	0	111.7	Y269 Y277 R283	Y269-D275 WeakPolarHBondContact CE1-OD1 3.34Å; D275-Y277 HydrophobicContact CB-CD2 4.41Å; D275-Y277 HydrophobicContact CB-CE2 3.6Å; D275-Y277 WeakPolarHBondContact O-CD2 3.39Å; D275-Y277 VanDerWaalsContact O-CE2 3.23Å; D275-Y277 WeakPolarHBondContact O-CE2 3.4Å; D275-R283 HydrophobicContact CB-CG 4.39Å; D275-R283 VanDerWaalsContact CG-CZ 3.47Å; D275-R283 IonicContact OD1-CZ 2.93Å; D275-R283 IonicContact OD1-NE 2.85Å; D275-R283 PolarHBondContact OD1-NE 2.67Å; D275-R283 IonicContact OD1-NH2 3.78Å; D275-R283 PolarHBondContact OD1-NH2 3.22Å; D275-R283 IonicContact OD2-CZ 3.96Å; D275-R283 IonicContact OD2-NE 2.75Å; D275-R283 PolarHBondContact OD2-NE 3.35Å; D275-R283 VanDerWaalsContact OD2-NE 3.14Å; D275-R283 IonicContact OD2-NH2 2.79Å; D275-R283 PolarHBondContact OD2-NH2 3.33Å
276	S	82.9	Confident	81.1	Confident	24 Å²	24	74.6 Å²	74.6	17%	0.168	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-80.4	134.7	174	-60	0	0	0	0	110.4	A268 Y269 D270 R274 L284	A268-S276 PolarHBondContact O-N 3.43Å; A268-S276 PolarHBondContact O-OG 2.62Å; Y269-S276 PolarHBondContact O-OG 2.8Å; D270-S276 PolarHBondContact N-OG 3.25Å; D270-S276 VanDerWaalsContact N-OG 3.14Å; R274-S276 PolarHBondContact O-N 3.42Å; S276-L284 PolarHBondContact O-N 3.06Å
277	Y	82.5	Confident	81.3	Confident	131 Å²	131	73.1 Å²	73.1	51%	0.514	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-120.3	148	178.1	-66.1	-91	0	0	0	110.6	D275 G281 V282 R283	D275-Y277 HydrophobicContact CB-CD2 4.41Å; D275-Y277 HydrophobicContact CB-CE2 3.6Å; D275-Y277 WeakPolarHBondContact O-CD2 3.39Å; D275-Y277 VanDerWaalsContact O-CE2 3.23Å; D275-Y277 WeakPolarHBondContact O-CE2 3.4Å; Y277-G281 WeakPolarHBondContact CD1-O 3.39Å; Y277-V282 CarbonylContact C-O 3.52Å; Y277-V282 VanDerWaalsContact CA-O 3.28Å; Y277-V282 WeakPolarHBondContact CA-O 3.42Å; Y277-R283 HydrophobicContact CD1-CB 4.23Å; Y277-R283 HydrophobicContact CE1-CB 3.95Å; Y277-R283 HydrophobicContact CE1-CG 4.37Å
278	S	80.3	Confident	81.6	Confident	18 Å²	18	72 Å²	72	13%	0.126	36%	0.359	C	S	.	.			trans	-68.5	168.8	166.7	70.7	0	0	0	0	111	H280 G281 V282	S278-H280 PolarHBondContact O-N 3.02Å; S278-H280 PolarHBondContact OG-N 2.98Å; S278-G281 PolarHBondContact O-N 2.8Å; S278-V282 PolarHBondContact N-O 2.98Å; S278-V282 WeakPolarHBondContact OG-CB 3.3Å; S278-V282 PolarHBondContact OG-N 3.08Å
279	E	72.7	Confident	81.9	Confident	190 Å²	190	72 Å²	72	89%	0.888	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-20	172.3	-61.6	-173.8	170.2	0	0	113
280	H	72.9	Confident	82.2	Confident	148 Å²	148	71.4 Å²	71.4	69%	0.685	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	7.4	177.8	-57.7	-43.1	0	0	0	113.8	S278 V282	S278-H280 PolarHBondContact O-N 3.02Å; S278-H280 PolarHBondContact OG-N 2.98Å; H280-V282 VanDerWaalsContact C-N 3.33Å; H280-V282 HydrophobicContact CB-CG2 4.44Å
281	G	76.7	Confident	82.7	Confident	51 Å²	51	70.5 Å²	70.5	53%	0.526	35%	0.353	S	S	.	.	S	Bend	trans	75	19.1	179.9	0	0	0	0	0	114.2	Y277 S278	Y277-G281 WeakPolarHBondContact CD1-O 3.39Å; S278-G281 PolarHBondContact O-N 2.8Å
282	V	81.7	Confident	82.9	Confident	30 Å²	30	66 Å²	66	18%	0.182	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-88.1	129	176.4	-177.6	0	0	0	0	109.5	Y277 S278 H280 L284 A363 P364	Y277-V282 CarbonylContact C-O 3.52Å; Y277-V282 VanDerWaalsContact CA-O 3.28Å; Y277-V282 WeakPolarHBondContact CA-O 3.42Å; S278-V282 PolarHBondContact N-O 2.98Å; S278-V282 WeakPolarHBondContact OG-CB 3.3Å; S278-V282 PolarHBondContact OG-N 3.08Å; H280-V282 VanDerWaalsContact C-N 3.33Å; H280-V282 HydrophobicContact CB-CG2 4.44Å; V282-L284 PolarHBondContact O-N 3.23Å; V282-A363 HydrophobicContact CG1-CB 4.47Å; V282-P364 WeakPolarHBondContact CG1-O 3.46Å
283	R	84.1	Confident	83	Confident	98 Å²	98	61.8 Å²	61.8	37%	0.37	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-66.4	125	178.8	-168	176.9	-173.9	-173.1	8	110.7	L267 D275 Y277 P364	L267-R283 HydrophobicContact CD2-CG 4.29Å; D275-R283 HydrophobicContact CB-CG 4.39Å; D275-R283 VanDerWaalsContact CG-CZ 3.47Å; D275-R283 IonicContact OD1-CZ 2.93Å; D275-R283 IonicContact OD1-NE 2.85Å; D275-R283 PolarHBondContact OD1-NE 2.67Å; D275-R283 IonicContact OD1-NH2 3.78Å; D275-R283 PolarHBondContact OD1-NH2 3.22Å; D275-R283 IonicContact OD2-CZ 3.96Å; D275-R283 IonicContact OD2-NE 2.75Å; D275-R283 PolarHBondContact OD2-NE 3.35Å; D275-R283 VanDerWaalsContact OD2-NE 3.14Å; D275-R283 IonicContact OD2-NH2 2.79Å; D275-R283 PolarHBondContact OD2-NH2 3.33Å; Y277-R283 HydrophobicContact CD1-CB 4.23Å; Y277-R283 HydrophobicContact CE1-CB 3.95Å; Y277-R283 HydrophobicContact CE1-CG 4.37Å; R283-P364 WeakPolarHBondContact O-CD 3.49Å
284	L	89.5	Confident	83	Confident	13 Å²	13	66.5 Å²	66.5	7%	0.068	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-81.2	146.1	-175.9	-58.9	-176.2	0	0	0	111.6	A268 S276 V282 L332 L361 A363	A268-L284 HydrophobicContact CB-CB 3.81Å; A268-L284 PolarHBondContact N-O 3.24Å; S276-L284 PolarHBondContact O-N 3.06Å; V282-L284 PolarHBondContact O-N 3.23Å; L284-L332 HydrophobicContact CD1-CD1 3.93Å; L284-L332 HydrophobicContact CD2-CD1 3.49Å; L284-L332 VanDerWaalsContact CD2-CD1 3.49Å; L284-L332 HydrophobicContact CG-CD1 4.36Å; L284-L361 HydrophobicContact CB-CD1 4.02Å; L284-L361 HydrophobicContact CD1-CD1 4.27Å; L284-L361 HydrophobicContact CD1-CD2 4.34Å; L284-L361 HydrophobicContact CD1-CG 4.48Å; L284-A363 HydrophobicContact CD2-CB 3.65Å
285	K	89.7	Confident	83.2	Confident	21 Å²	21	61.6 Å²	61.6	9%	0.091	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	139.7	173.6	66.5	177.3	176.5	-175.9	0	110.8	T266 V287 L324 D329 V362 P364	T266-K285 CarbonylContact O-C 3.47Å; T266-K285 WeakPolarHBondContact O-CA 3.48Å; K285-V287 HydrophobicContact CD-CG2 3.79Å; K285-V287 HydrophobicContact CG-CG2 3.93Å; K285-L324 PolarHBondContact NZ-O 3.5Å; K285-D329 IonicContact NZ-OD2 2.82Å; K285-D329 PolarHBondContact NZ-OD2 3.09Å; K285-V362 HydrophobicContact CD-CB 4.47Å; K285-V362 HydrophobicContact CG-CB 3.89Å; K285-V362 PolarHBondContact N-O 3.09Å; K285-V362 PolarHBondContact O-N 2.95Å; K285-P364 HydrophobicContact CD-CG 3.9Å; K285-P364 HydrophobicContact CG-CG 4.07Å
286	Y	91.1	Very high	83.4	Confident	84 Å²	84	64.3 Å²	64.3	33%	0.329	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	126.1	160	-74.1	-68.5	0	0	0	109.1	A265 T266 A268 V359 L360 L361	A265-Y286 CarbonylContact C-O 3.56Å; A265-Y286 WeakPolarHBondContact CA-O 3.4Å; T266-Y286 PolarHBondContact N-O 2.75Å; T266-Y286 PolarHBondContact O-N 2.93Å; A268-Y286 HydrophobicContact CB-CD2 3.61Å; A268-Y286 HydrophobicContact CB-CE2 3.44Å; A268-Y286 VanDerWaalsContact CB-CE2 3.44Å; A268-Y286 HydrophobicContact CB-CG 4.45Å; Y286-V359 HydrophobicContact CD1-CG1 3.83Å; Y286-V359 HydrophobicContact CE1-CG1 4.44Å; Y286-L360 CarbonylContact C-O 3.59Å; Y286-L360 VanDerWaalsContact CA-O 3.3Å; Y286-L360 WeakPolarHBondContact CA-O 3.28Å; Y286-L361 HydrophobicContact CD1-CB 4.41Å; Y286-L361 HydrophobicContact CD1-CD1 4.04Å; Y286-L361 HydrophobicContact CE1-CB 4.2Å; Y286-L361 HydrophobicContact CE1-CD1 3.76Å; Y286-L361 HydrophobicContact CE1-CG 4.48Å; Y286-L361 HydrophobicContact CE2-CD1 4.46Å
287	V	91.7	Very high	83.7	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	115.7	173	-177.1	0	0	0	0	108.2	A265 K285 L289 L324 L325 L360 V362	A265-V287 HydrophobicContact CB-CG2 4.11Å; K285-V287 HydrophobicContact CD-CG2 3.79Å; K285-V287 HydrophobicContact CG-CG2 3.93Å; V287-L289 HydrophobicContact CG1-CD1 4.5Å; V287-L289 HydrophobicContact CG1-CD2 3.89Å; V287-L289 HydrophobicContact CG1-CG 4.02Å; V287-L324 HydrophobicContact CG1-CB 3.65Å; V287-L324 HydrophobicContact CG1-CD1 3.92Å; V287-L324 HydrophobicContact CG1-CG 4.44Å; V287-L325 HydrophobicContact CB-CD2 4.28Å; V287-L325 HydrophobicContact CG1-CD2 4.1Å; V287-L325 HydrophobicContact CG1-CG 4.38Å; V287-L325 HydrophobicContact CG2-CD2 4.06Å; V287-L360 HydrophobicContact CB-CB 4.26Å; V287-L360 PolarHBondContact N-O 3.47Å; V287-L360 PolarHBondContact O-N 2.94Å; V287-V362 HydrophobicContact CB-CG2 4.43Å; V287-V362 HydrophobicContact CG2-CB 4.43Å; V287-V362 HydrophobicContact CG2-CG2 3.94Å
288	I	92.2	Very high	84	Confident	7 Å²	7	58.6 Å²	58.6	4%	0.036	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	121.7	179.5	-57.8	75.7	0	0	0	107.7	C263 Y264 R357 I358 V359	C263-I288 CarbonylContact C-O 3.4Å; C263-I288 WeakPolarHBondContact CA-O 3.29Å; Y264-I288 HydrophobicContact CD1-CB 4.37Å; Y264-I288 HydrophobicContact CD2-CB 4.44Å; Y264-I288 HydrophobicContact CD2-CD1 3.71Å; Y264-I288 HydrophobicContact CD2-CG1 4.32Å; Y264-I288 HydrophobicContact CE1-CB 4.15Å; Y264-I288 HydrophobicContact CE1-CG1 4.42Å; Y264-I288 HydrophobicContact CE1-CG2 4.16Å; Y264-I288 HydrophobicContact CE2-CB 4.22Å; Y264-I288 HydrophobicContact CE2-CD1 3.36Å; Y264-I288 HydrophobicContact CE2-CG1 3.77Å; Y264-I288 PolarHBondContact N-O 2.89Å; Y264-I288 PolarHBondContact O-N 3.36Å; I288-R357 HydrophobicContact CG2-CG 3.9Å; I288-I358 CarbonylContact C-O 3.52Å; I288-I358 WeakPolarHBondContact CA-O 3.33Å; I288-V359 HydrophobicContact CG1-CG2 4.45Å
289	L	91.4	Very high	84.5	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	146.5	179.5	-56.8	176.2	0	0	0	110.3	C263 V287 L297 L318 T322 L324 L325 I358 L360	C263-L289 HydrophobicContact CB-CD2 4.35Å; V287-L289 HydrophobicContact CG1-CD1 4.5Å; V287-L289 HydrophobicContact CG1-CD2 3.89Å; V287-L289 HydrophobicContact CG1-CG 4.02Å; L289-L297 HydrophobicContact CD1-CD1 3.42Å; L289-L297 VanDerWaalsContact CD1-CD1 3.42Å; L289-L318 HydrophobicContact CB-CD2 4.19Å; L289-T322 HydrophobicContact CD2-CG2 3.97Å; L289-L324 HydrophobicContact CD2-CD1 4.07Å; L289-L325 HydrophobicContact CD1-CD1 4.07Å; L289-I358 HydrophobicContact CB-CB 4.37Å; L289-I358 PolarHBondContact N-O 3.18Å; L289-I358 PolarHBondContact O-N 2.7Å; L289-L360 HydrophobicContact CD1-CD1 3.8Å
290	Q	88.6	Confident	85.4	Confident	73 Å²	73	51.1 Å²	51.1	34%	0.341	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	101.2	176.5	-168.5	68.4	17.9	0	0	109.9	C263 T292 L318	C263-Q290 PolarHBondContact SG-N 2.92Å; Q290-T292 HydrophobicContact CG-CG2 4.5Å; Q290-L318 WeakPolarHBondContact O-CD2 3.47Å
291	K	87.7	Confident	86.2	Confident	25 Å²	25	45.9 Å²	45.9	11%	0.109	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	120.7	178.3	-176.1	179.7	168.9	-161.2	0	110	E295 L318 L354 G356 I358	K291-E295 WeakPolarHBondContact CE-O 3.41Å; K291-L318 HydrophobicContact CB-CD2 4.34Å; K291-L354 WeakPolarHBondContact CD-O 3.47Å; K291-L354 WeakPolarHBondContact CE-O 3.29Å; K291-L354 PolarHBondContact NZ-O 2.73Å; K291-G356 PolarHBondContact N-O 3.49Å; K291-G356 WeakPolarHBondContact O-CA 3.46Å; K291-G356 PolarHBondContact O-N 2.9Å; K291-I358 HydrophobicContact CB-CD1 3.7Å; K291-I358 HydrophobicContact CB-CG1 4.47Å; K291-I358 HydrophobicContact CD-CD1 3.91Å; K291-I358 HydrophobicContact CG-CD1 4.47Å
292	T	81.5	Confident	86.9	Confident	88 Å²	88	49 Å²	49	54%	0.54	25%	0.254	S	S	.	.			trans	-109.9	131.7	-179.7	60.2	0	0	0	0	111.7	Q290 N294 E295	Q290-T292 HydrophobicContact CG-CG2 4.5Å; T292-N294 PolarHBondContact O-N 3.32Å; T292-E295 WeakPolarHBondContact O-CB 3.06Å; T292-E295 PolarHBondContact O-N 3.38Å; T292-E295 VanDerWaalsContact O-N 3.14Å
293	G	75.7	Confident	87.3	Confident	54 Å²	54	51.2 Å²	51.2	56%	0.557	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	-127.4	174.7	0	0	0	0	0	114.4	E295	G293-E295 VanDerWaalsContact C-N 3.34Å
294	N	73.5	Confident	87.4	Confident	154 Å²	154	49.7 Å²	49.7	82%	0.824	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	16.7	-178.6	-67.5	-3.2	0	0	0	113.4	T292	T292-N294 PolarHBondContact O-N 3.32Å
295	E	80.1	Confident	87.1	Confident	41 Å²	41	59.1 Å²	59.1	19%	0.192	30%	0.297	C	S	.	.			trans	-69.9	132.8	175.8	-171.3	172.4	-153.8	0	0	110.7	K291 T292 G293 K321	K291-E295 WeakPolarHBondContact CE-O 3.41Å; T292-E295 WeakPolarHBondContact O-CB 3.06Å; T292-E295 PolarHBondContact O-N 3.38Å; T292-E295 VanDerWaalsContact O-N 3.14Å; G293-E295 VanDerWaalsContact C-N 3.34Å; E295-K321 IonicContact OE1-NZ 2.93Å; E295-K321 PolarHBondContact OE1-NZ 3.46Å
296	F	84.8	Confident	86.8	Confident	100 Å²	100	63.1 Å²	63.1	44%	0.439	32%	0.319	S	S	.	.			trans	-84.9	145.8	175	-65.4	-85.8	0	0	0	110.7	G298 L318 I435 L438	F296-G298 PolarHBondContact O-N 3.33Å; F296-L318 PolarHBondContact O-N 3.4Å; F296-I435 HydrophobicContact CD2-CG2 4.01Å; F296-I435 HydrophobicContact CE1-CG2 4.3Å; F296-I435 HydrophobicContact CE2-CG2 3.33Å; F296-I435 HydrophobicContact CZ-CG2 3.5Å; F296-I435 VanDerWaalsContact CZ-CG2 3.5Å; F296-L438 HydrophobicContact CB-CD1 3.7Å; F296-L438 HydrophobicContact CB-CD2 4.32Å; F296-L438 HydrophobicContact CB-CG 4.22Å; F296-L438 HydrophobicContact CD2-CD1 4.23Å; F296-L438 HydrophobicContact CG-CD1 3.98Å
297	L	88.4	Confident	86.6	Confident	29 Å²	29	60.3 Å²	60.3	15%	0.152	31%	0.311	C	S	.	.			trans	-59.3	-36.1	172.7	-177	63.3	0	0	0	111.1	L289 L318 A319 M351	L289-L297 HydrophobicContact CD1-CD1 3.42Å; L289-L297 VanDerWaalsContact CD1-CD1 3.42Å; L297-L318 HydrophobicContact CD1-CB 4.47Å; L297-L318 PolarHBondContact O-N 2.94Å; L297-L318 VanDerWaalsContact O-N 3.11Å; L297-A319 HydrophobicContact CD1-CB 4.28Å; L297-A319 HydrophobicContact CG-CB 4.33Å; L297-A319 VanDerWaalsContact O-CB 3.24Å; L297-A319 WeakPolarHBondContact O-CB 3.48Å; L297-A319 PolarHBondContact O-N 2.85Å; L297-M351 HydrophobicContact CD2-CE 3.47Å; L297-M351 VanDerWaalsContact CD2-CE 3.47Å
298	G	89.3	Confident	86.6	Confident	6 Å²	6	60.4 Å²	60.4	6%	0.062	31%	0.312	C	S	.	.			trans	73.8	40.2	179.1	0	0	0	0	0	113.6	F296 V314	F296-G298 PolarHBondContact O-N 3.33Å; G298-V314 PolarHBondContact O-N 3.24Å
299	A	91.2	Very high	86.5	Confident	30 Å²	30	61.1 Å²	61.1	25%	0.248	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	143.9	171.3	0	0	0	0	0	109.3	I310 R312 I313 A319	A299-I310 HydrophobicContact CB-CG2 4.44Å; A299-R312 CarbonylContact C-O 3.53Å; A299-R312 WeakPolarHBondContact CA-O 3.49Å; A299-I313 HydrophobicContact CB-CD1 3.89Å; A299-A319 HydrophobicContact CB-CB 4.34Å
300	T	90.8	Very high	86.5	Confident	22 Å²	22	61.2 Å²	61.2	14%	0.135	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	150.2	170	63.8	0	0	0	0	109.4	A311 R312 V314 L399	T300-A311 PolarHBondContact O-N 3.23Å; T300-R312 PolarHBondContact N-O 3.03Å; T300-R312 PolarHBondContact O-N 3.02Å; T300-R312 VanDerWaalsContact OG1-CB 3.25Å; T300-R312 WeakPolarHBondContact OG1-CB 3.48Å; T300-R312 PolarHBondContact OG1-N 3.33Å; T300-R312 VanDerWaalsContact OG1-N 3.14Å; T300-R312 PolarHBondContact OG1-O 3.39Å; T300-V314 HydrophobicContact CG2-CG2 4.35Å; T300-L399 HydrophobicContact CG2-CD1 3.43Å; T300-L399 VanDerWaalsContact CG2-CD1 3.43Å
301	V	91.5	Very high	86.5	Confident	37 Å²	37	59.6 Å²	59.6	22%	0.224	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	142.4	-170.9	-155.2	0	0	0	0	109	V308 L309 L331	V301-V308 HydrophobicContact CG1-CB 4.48Å; V301-V308 HydrophobicContact CG1-CG1 3.17Å; V301-L309 CarbonylContact C-O 3.48Å; V301-L309 WeakPolarHBondContact CA-O 3.43Å; V301-L309 VanDerWaalsContact CG1-O 3.23Å; V301-L309 WeakPolarHBondContact CG1-O 3.18Å; V301-L331 HydrophobicContact CG1-CD1 4.49Å
302	R	89.9	Confident	86.6	Confident	117 Å²	117	60.4 Å²	60.4	44%	0.442	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	147.8	174.5	67.9	-177	-171.4	175.2	7.5	110	E304 L309 A311	R302-E304 IonicContact CZ-OE2 2.87Å; R302-E304 IonicContact NE-OE2 2.81Å; R302-E304 IonicContact NH2-OE2 2.72Å; R302-E304 PolarHBondContact NH2-OE2 3.08Å; R302-L309 HydrophobicContact CG-CB 4.03Å; R302-L309 PolarHBondContact N-O 3.43Å; R302-L309 PolarHBondContact O-N 2.96Å; R302-A311 HydrophobicContact CB-CB 3.94Å; R302-A311 HydrophobicContact CG-CB 3.86Å
303	L	90.3	Very high	87	Confident	77 Å²	77	57 Å²	57	40%	0.403	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	120	175.1	-170.2	71.7	0	0	0	109.2	S307 V308	L303-S307 WeakPolarHBondContact CA-O 3.45Å; L303-V308 HydrophobicContact CD1-CG2 4.08Å
304	E	86.4	Confident	87.8	Confident	66 Å²	66	54.5 Å²	54.5	31%	0.308	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	117.3	175.7	-173.7	168.2	-175.7	0	0	108.8	R302 N306 S307 L309	R302-E304 IonicContact CZ-OE2 2.87Å; R302-E304 IonicContact NE-OE2 2.81Å; R302-E304 IonicContact NH2-OE2 2.72Å; R302-E304 PolarHBondContact NH2-OE2 3.08Å; E304-N306 VanDerWaalsContact C-N 3.27Å; E304-N306 PolarHBondContact O-N 3.04Å; E304-S307 PolarHBondContact N-O 3.5Å; E304-S307 WeakPolarHBondContact O-CA 3.27Å; E304-S307 WeakPolarHBondContact O-CB 3.46Å; E304-S307 PolarHBondContact O-N 2.95Å; E304-L309 HydrophobicContact CB-CD1 3.67Å; E304-L309 HydrophobicContact CB-CG 4.44Å; E304-L309 HydrophobicContact CG-CD1 4.34Å; E304-L309 WeakPolarHBondContact OE2-CD1 3.33Å
305	R	84.2	Confident	88.6	Confident	211 Å²	211	48.7 Å²	48.7	80%	0.796	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	38.6	178.7	-55.4	177.5	-175.2	164.9	2.1	114.8	S307	R305-S307 PolarHBondContact O-N 3.26Å
306	N	83	Confident	88.9	Confident	104 Å²	104	47.7 Å²	47.7	56%	0.556	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.6	2	-174.1	-59.4	-11.6	0	0	0	116.1	E304 G341	E304-N306 VanDerWaalsContact C-N 3.27Å; E304-N306 PolarHBondContact O-N 3.04Å; N306-G341 PolarHBondContact O-N 3.46Å
307	S	86.7	Confident	89.1	Confident	25 Å²	25	43 Å²	43	18%	0.175	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	141.3	170.6	-68.3	0	0	0	0	111.1	L303 E304 R305 E330	L303-S307 WeakPolarHBondContact CA-O 3.45Å; E304-S307 PolarHBondContact N-O 3.5Å; E304-S307 WeakPolarHBondContact O-CA 3.27Å; E304-S307 WeakPolarHBondContact O-CB 3.46Å; E304-S307 PolarHBondContact O-N 2.95Å; R305-S307 PolarHBondContact O-N 3.26Å; S307-E330 WeakPolarHBondContact CB-OE1 3.29Å; S307-E330 PolarHBondContact OG-OE1 2.87Å
308	V	91	Very high	89.1	Confident	3 Å²	3	41.7 Å²	41.7	2%	0.018	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	107.3	-178.1	177.7	0	0	0	0	108.3	V301 L303 L331 L339 V347	V301-V308 HydrophobicContact CG1-CB 4.48Å; V301-V308 HydrophobicContact CG1-CG1 3.17Å; L303-V308 HydrophobicContact CD1-CG2 4.08Å; V308-L331 HydrophobicContact CG1-CB 4.27Å; V308-L331 HydrophobicContact CG1-CD1 4.41Å; V308-L331 PolarHBondContact O-N 3.3Å; V308-L339 HydrophobicContact CG1-CD1 4.34Å; V308-L339 HydrophobicContact CG2-CB 4.22Å; V308-V347 HydrophobicContact CG1-CG1 4.05Å; V308-V347 HydrophobicContact CG2-CG2 4.11Å
309	L	90.1	Very high	89.1	Confident	21 Å²	21	41.4 Å²	41.4	11%	0.11	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	142.5	-175.7	-59.9	175.9	0	0	0	111.5	V301 R302 E304 A311 E330	V301-L309 CarbonylContact C-O 3.48Å; V301-L309 WeakPolarHBondContact CA-O 3.43Å; V301-L309 VanDerWaalsContact CG1-O 3.23Å; V301-L309 WeakPolarHBondContact CG1-O 3.18Å; R302-L309 HydrophobicContact CG-CB 4.03Å; R302-L309 PolarHBondContact N-O 3.43Å; R302-L309 PolarHBondContact O-N 2.96Å; E304-L309 HydrophobicContact CB-CD1 3.67Å; E304-L309 HydrophobicContact CB-CG 4.44Å; E304-L309 HydrophobicContact CG-CD1 4.34Å; E304-L309 WeakPolarHBondContact OE2-CD1 3.33Å; L309-A311 PolarHBondContact O-N 3.36Å; L309-E330 HydrophobicContact CD2-CB 3.57Å; L309-E330 HydrophobicContact CD2-CG 3.93Å
310	I	91.1	Very high	88.9	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	114	168.3	-60.6	-173	0	0	0	109	A299 I313 L325 H326 G328 D329 L331	A299-I310 HydrophobicContact CB-CG2 4.44Å; I310-I313 HydrophobicContact CG2-CD1 3.62Å; I310-I313 HydrophobicContact CG2-CG1 4.31Å; I310-L325 HydrophobicContact CD1-CB 3.82Å; I310-L325 HydrophobicContact CD1-CD1 4.03Å; I310-L325 HydrophobicContact CD1-CD2 4.03Å; I310-L325 HydrophobicContact CD1-CG 4.18Å; I310-H326 WeakPolarHBondContact CB-O 3.44Å; I310-G328 PolarHBondContact O-N 3.39Å; I310-D329 HydrophobicContact CD1-CB 4Å; I310-D329 HydrophobicContact CG1-CB 4.3Å; I310-D329 PolarHBondContact N-O 3.19Å; I310-L331 HydrophobicContact CD1-CD2 4.11Å; I310-L331 HydrophobicContact CG1-CD1 4.17Å; I310-L331 HydrophobicContact CG1-CD2 4.24Å; I310-L331 HydrophobicContact CG1-CG 4.09Å
311	A	89.1	Confident	88.7	Confident	39 Å²	39	45.6 Å²	45.6	32%	0.322	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-36	-177.7	0	0	0	0	0	113.1	T300 R302 L309	T300-A311 PolarHBondContact O-N 3.23Å; R302-A311 HydrophobicContact CB-CB 3.94Å; R302-A311 HydrophobicContact CG-CB 3.86Å; L309-A311 PolarHBondContact O-N 3.36Å
312	R	90	Very high	88.6	Confident	43 Å²	43	44 Å²	44	16%	0.162	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	142.4	-179.6	-175.1	-178.3	-62	-105.7	-11.3	111.3	A299 T300 E327 D416 W419	A299-R312 CarbonylContact C-O 3.53Å; A299-R312 WeakPolarHBondContact CA-O 3.49Å; T300-R312 PolarHBondContact N-O 3.03Å; T300-R312 PolarHBondContact O-N 3.02Å; T300-R312 VanDerWaalsContact OG1-CB 3.25Å; T300-R312 WeakPolarHBondContact OG1-CB 3.48Å; T300-R312 PolarHBondContact OG1-N 3.33Å; T300-R312 VanDerWaalsContact OG1-N 3.14Å; T300-R312 PolarHBondContact OG1-O 3.39Å; R312-E327 WeakPolarHBondContact CA-OE1 3.49Å; R312-E327 WeakPolarHBondContact CG-OE1 3.48Å; R312-D416 IonicContact CZ-OD2 3.22Å; R312-D416 IonicContact NH1-OD2 2.84Å; R312-D416 IonicContact NH2-OD2 3.8Å; R312-D416 PolarHBondContact NH2-OD2 3.1Å; R312-W419 PolarHBondContact NH1-O 3.07Å; R312-W419 VanDerWaalsContact NH1-O 3.14Å
313	I	90.8	Very high	88.4	Confident	15 Å²	15	42.7 Å²	42.7	8%	0.077	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	126.6	167.5	-58.8	-60.1	0	0	0	109.7	A299 I310 A319 C320 L325 E327 Q421	A299-I313 HydrophobicContact CB-CD1 3.89Å; I310-I313 HydrophobicContact CG2-CD1 3.62Å; I310-I313 HydrophobicContact CG2-CG1 4.31Å; I313-A319 HydrophobicContact CD1-CB 4.06Å; I313-A319 HydrophobicContact CG2-CB 4.38Å; I313-C320 HydrophobicContact CG2-CB 3.77Å; I313-L325 HydrophobicContact CD1-CB 4.21Å; I313-E327 HydrophobicContact CG1-CG 4.05Å; I313-E327 PolarHBondContact N-OE1 3.49Å; I313-E327 VanDerWaalsContact N-OE1 3.07Å; I313-Q421 PolarHBondContact O-NE2 3.47Å
314	V	91.8	Very high	88.3	Confident	3 Å²	3	39 Å²	39	2%	0.018	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-97	126.8	-177.2	-175	0	0	0	0	110.3	G298 T300 G317 C320 L399 L438 A439	G298-V314 PolarHBondContact O-N 3.24Å; T300-V314 HydrophobicContact CG2-CG2 4.35Å; V314-G317 PolarHBondContact O-N 3.07Å; V314-C320 WeakPolarHBondContact O-CB 3.2Å; V314-L399 HydrophobicContact CG1-CD2 4.32Å; V314-L399 HydrophobicContact CG2-CD1 3.72Å; V314-L399 HydrophobicContact CG2-CD2 4.33Å; V314-L438 HydrophobicContact CG1-CB 4.05Å; V314-L438 HydrophobicContact CG1-CD2 4.34Å; V314-A439 HydrophobicContact CG1-CB 4.44Å; V314-A439 VanDerWaalsContact CG1-O 3.25Å; V314-A439 WeakPolarHBondContact CG1-O 3.48Å
315	N	90	Very high	88.5	Confident	32 Å²	32	36 Å²	36	17%	0.171	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	139.6	177.5	-69.5	6.7	0	0	0	110.6	T412 Q421 Y423 A439	N315-T412 PolarHBondContact ND2-OG1 3.25Å; N315-Q421 VanDerWaalsContact CG-OE1 3.31Å; N315-Q421 PolarHBondContact OD1-OE1 3.08Å; N315-Y423 PolarHBondContact O-OH 3.19Å; N315-A439 HydrophobicContact CB-CB 3.88Å; N315-A439 PolarHBondContact O-N 2.84Å
316	G	86.4	Confident	88.7	Confident	20 Å²	20	29.3 Å²	29.3	21%	0.206	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	-6.6	-178.8	0	0	0	0	0	115.4	T437	G316-T437 PolarHBondContact O-OG1 3.13Å
317	G	88.2	Confident	89	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-95.5	168.7	173.4	0	0	0	0	0	114.1	V314 A319 C320 K321	V314-G317 PolarHBondContact O-N 3.07Å; G317-A319 PolarHBondContact O-N 3.21Å; G317-C320 PolarHBondContact O-N 3.28Å; G317-K321 WeakPolarHBondContact O-CG 3.38Å; G317-K321 PolarHBondContact O-N 2.93Å; G317-K321 VanDerWaalsContact O-N 3.08Å
318	L	88.8	Confident	89	Confident	2 Å²	2	27.6 Å²	27.6	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-61	-38.2	-176.2	-173.9	64.2	0	0	0	113.4	V260 L289 Q290 K291 F296 L297 C320 K321 T322	V260-L318 HydrophobicContact CG1-CD1 4.24Å; L289-L318 HydrophobicContact CB-CD2 4.19Å; Q290-L318 WeakPolarHBondContact O-CD2 3.47Å; K291-L318 HydrophobicContact CB-CD2 4.34Å; F296-L318 PolarHBondContact O-N 3.4Å; L297-L318 HydrophobicContact CD1-CB 4.47Å; L297-L318 PolarHBondContact O-N 2.94Å; L297-L318 VanDerWaalsContact O-N 3.11Å; L318-C320 VanDerWaalsContact C-N 3.34Å; L318-C320 PolarHBondContact O-N 3.3Å; L318-K321 PolarHBondContact O-N 3.14Å; L318-T322 HydrophobicContact CD1-CG2 3.92Å; L318-T322 HydrophobicContact CG-CG2 4.15Å; L318-T322 WeakPolarHBondContact O-CB 3.34Å; L318-T322 VanDerWaalsContact O-CG2 3.26Å; L318-T322 WeakPolarHBondContact O-CG2 3.25Å; L318-T322 PolarHBondContact O-N 3.06Å; L318-T322 PolarHBondContact O-OG1 3.34Å
319	A	89.7	Confident	89	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.008	16%	0.155	C	C	.	.	H	α-helix	trans	-62.7	-40.5	178.3	0	0	0	0	0	111.8	L297 A299 I313 G317 T322 N323 L325	L297-A319 HydrophobicContact CD1-CB 4.28Å; L297-A319 HydrophobicContact CG-CB 4.33Å; L297-A319 VanDerWaalsContact O-CB 3.24Å; L297-A319 WeakPolarHBondContact O-CB 3.48Å; L297-A319 PolarHBondContact O-N 2.85Å; A299-A319 HydrophobicContact CB-CB 4.34Å; I313-A319 HydrophobicContact CD1-CB 4.06Å; I313-A319 HydrophobicContact CG2-CB 4.38Å; G317-A319 PolarHBondContact O-N 3.21Å; A319-T322 PolarHBondContact O-OG1 3.32Å; A319-N323 PolarHBondContact O-N 3.28Å; A319-N323 VanDerWaalsContact O-N 3.1Å; A319-L325 HydrophobicContact CB-CD1 4.18Å
320	C	88	Confident	89	Confident	45 Å²	45	27.9 Å²	27.9	30%	0.304	16%	0.156	S	C	.	.	H	α-helix	trans	-69.2	-40.6	174.8	-174.7	0	0	0	0	112.1	I313 V314 G317 L318	I313-C320 HydrophobicContact CG2-CB 3.77Å; V314-C320 WeakPolarHBondContact O-CB 3.2Å; G317-C320 PolarHBondContact O-N 3.28Å; L318-C320 VanDerWaalsContact C-N 3.34Å; L318-C320 PolarHBondContact O-N 3.3Å
321	K	86.2	Confident	89.1	Confident	94 Å²	94	28.1 Å²	28.1	41%	0.409	16%	0.157	S	C	.	.	H	α-helix	trans	-66.2	-41.4	-179.9	-68.7	173.7	-172.8	172.4	0	112.2	S259 V260 E295 G317 L318	S259-K321 PolarHBondContact OG-O 3.46Å; V260-K321 HydrophobicContact CG2-CB 3.78Å; E295-K321 IonicContact OE1-NZ 2.93Å; E295-K321 PolarHBondContact OE1-NZ 3.46Å; G317-K321 WeakPolarHBondContact O-CG 3.38Å; G317-K321 PolarHBondContact O-N 2.93Å; G317-K321 VanDerWaalsContact O-N 3.08Å; L318-K321 PolarHBondContact O-N 3.14Å
322	T	88.3	Confident	89.1	Confident	4 Å²	4	27.7 Å²	27.7	3%	0.025	15%	0.149	C	C	.	.	H	α-helix	trans	-77.6	-28.7	-178.4	55.3	0	0	0	0	112.7	S258 V260 C263 L289 L318 A319 L324	S258-T322 WeakPolarHBondContact CB-O 3.31Å; S258-T322 WeakPolarHBondContact OG-CA 3.26Å; S258-T322 WeakPolarHBondContact OG-CB 3.23Å; S258-T322 WeakPolarHBondContact OG-CG2 3.48Å; V260-T322 HydrophobicContact CB-CG2 3.96Å; V260-T322 HydrophobicContact CG2-CG2 3.86Å; C263-T322 HydrophobicContact CB-CG2 3.67Å; L289-T322 HydrophobicContact CD2-CG2 3.97Å; L318-T322 HydrophobicContact CD1-CG2 3.92Å; L318-T322 HydrophobicContact CG-CG2 4.15Å; L318-T322 WeakPolarHBondContact O-CB 3.34Å; L318-T322 VanDerWaalsContact O-CG2 3.26Å; L318-T322 WeakPolarHBondContact O-CG2 3.25Å; L318-T322 PolarHBondContact O-N 3.06Å; L318-T322 PolarHBondContact O-OG1 3.34Å; A319-T322 PolarHBondContact O-OG1 3.32Å; T322-L324 PolarHBondContact O-N 2.81Å; T322-L324 VanDerWaalsContact O-N 3.17Å
323	N	87.1	Confident	89.2	Confident	89 Å²	89	26.5 Å²	26.5	48%	0.476	15%	0.147	S	C	.	.			trans	55.7	28.5	-178.4	-161	40.1	0	0	0	113.8	A319	A319-N323 PolarHBondContact O-N 3.28Å; A319-N323 VanDerWaalsContact O-N 3.1Å
324	L	88.3	Confident	89.2	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.144	C	C	.	.			trans	-95.4	-20.8	178.7	-62	175.8	0	0	0	113	Q256 C263 A265 K285 V287 L289 T322	Q256-L324 HydrophobicContact CG-CD2 3.99Å; C263-L324 HydrophobicContact CB-CD1 4.27Å; A265-L324 HydrophobicContact CB-CD2 4.05Å; K285-L324 PolarHBondContact NZ-O 3.5Å; V287-L324 HydrophobicContact CG1-CB 3.65Å; V287-L324 HydrophobicContact CG1-CD1 3.92Å; V287-L324 HydrophobicContact CG1-CG 4.44Å; L289-L324 HydrophobicContact CD2-CD1 4.07Å; T322-L324 PolarHBondContact O-N 2.81Å; T322-L324 VanDerWaalsContact O-N 3.17Å
325	L	89.8	Confident	89.2	Confident	4 Å²	4	29 Å²	29	2%	0.021	16%	0.161	C	C	.	.			trans	-111.6	134.6	-179.7	-64.3	179.1	0	0	0	110	V287 L289 I310 I313 A319 L360 V362	V287-L325 HydrophobicContact CB-CD2 4.28Å; V287-L325 HydrophobicContact CG1-CD2 4.1Å; V287-L325 HydrophobicContact CG1-CG 4.38Å; V287-L325 HydrophobicContact CG2-CD2 4.06Å; L289-L325 HydrophobicContact CD1-CD1 4.07Å; I310-L325 HydrophobicContact CD1-CB 3.82Å; I310-L325 HydrophobicContact CD1-CD1 4.03Å; I310-L325 HydrophobicContact CD1-CD2 4.03Å; I310-L325 HydrophobicContact CD1-CG 4.18Å; I313-L325 HydrophobicContact CD1-CB 4.21Å; A319-L325 HydrophobicContact CB-CD1 4.18Å; L325-L360 HydrophobicContact CD1-CD1 3.9Å; L325-L360 HydrophobicContact CD2-CD1 4.2Å; L325-V362 HydrophobicContact CD2-CG2 4.05Å
326	H	88.7	Confident	88.9	Confident	69 Å²	69	30.8 Å²	30.8	32%	0.319	19%	0.186	S	C	.	.			trans	-120	161.5	-179.8	-59.6	88.6	0	0	0	111.5	I310 G328 D329	I310-H326 WeakPolarHBondContact CB-O 3.44Å; H326-G328 PolarHBondContact O-N 2.85Å; H326-D329 PolarHBondContact N-OD2 3.42Å; H326-D329 WeakPolarHBondContact O-CB 3.34Å; H326-D329 PolarHBondContact O-N 2.67Å
327	E	88.2	Confident	89.1	Confident	66 Å²	66	33.3 Å²	33.3	31%	0.308	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	130.9	174.7	-59.5	178.9	162.8	0	0	109	R312 I313 K415	R312-E327 WeakPolarHBondContact CA-OE1 3.49Å; R312-E327 WeakPolarHBondContact CG-OE1 3.48Å; I313-E327 HydrophobicContact CG1-CG 4.05Å; I313-E327 PolarHBondContact N-OE1 3.49Å; I313-E327 VanDerWaalsContact N-OE1 3.07Å; E327-K415 IonicContact OE2-NZ 3.27Å
328	G	87.7	Confident	89.2	Confident	27 Å²	27	40.2 Å²	40.2	28%	0.278	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	95	-12	-174.2	0	0	0	0	0	115.1	I310 H326 E330	I310-G328 PolarHBondContact O-N 3.39Å; H326-G328 PolarHBondContact O-N 2.85Å; G328-E330 PolarHBondContact O-N 3.49Å
329	D	90.4	Very high	89.1	Confident	3 Å²	3	40.1 Å²	40.1	2%	0.016	23%	0.226	C	C	.	.			trans	-60	132.8	175.7	-80.2	-0.5	0	0	0	110.4	K285 I310 H326 V362 P364 A365	K285-D329 IonicContact NZ-OD2 2.82Å; K285-D329 PolarHBondContact NZ-OD2 3.09Å; I310-D329 HydrophobicContact CD1-CB 4Å; I310-D329 HydrophobicContact CG1-CB 4.3Å; I310-D329 PolarHBondContact N-O 3.19Å; H326-D329 PolarHBondContact N-OD2 3.42Å; H326-D329 WeakPolarHBondContact O-CB 3.34Å; H326-D329 PolarHBondContact O-N 2.67Å; D329-V362 HydrophobicContact CB-CG1 3.63Å; D329-P364 WeakPolarHBondContact OD1-CA 3.34Å; D329-A365 PolarHBondContact OD1-N 2.95Å
330	E	90.9	Very high	88.9	Confident	28 Å²	28	45 Å²	45	13%	0.131	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	124.4	178.1	-178.6	179.5	-168.9	0	0	110.6	S307 L309 G328 L332 V362 A363	S307-E330 WeakPolarHBondContact CB-OE1 3.29Å; S307-E330 PolarHBondContact OG-OE1 2.87Å; L309-E330 HydrophobicContact CD2-CB 3.57Å; L309-E330 HydrophobicContact CD2-CG 3.93Å; G328-E330 PolarHBondContact O-N 3.49Å; E330-L332 HydrophobicContact CG-CD2 4.05Å; E330-V362 CarbonylContact O-C 3.57Å; E330-V362 VanDerWaalsContact O-CA 3.28Å; E330-V362 WeakPolarHBondContact O-CA 3.25Å; E330-V362 WeakPolarHBondContact O-CG1 3.48Å; E330-A363 HydrophobicContact CB-CB 4.11Å; E330-A363 PolarHBondContact N-O 3.16Å; E330-A363 PolarHBondContact O-N 3.41Å
331	L	91.8	Very high	88.6	Confident	6 Å²	6	45.4 Å²	45.4	3%	0.031	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	112.8	179.1	-58.6	-179.6	0	0	0	109.7	V301 V308 I310 L339 V362	V301-L331 HydrophobicContact CG1-CD1 4.49Å; V308-L331 HydrophobicContact CG1-CB 4.27Å; V308-L331 HydrophobicContact CG1-CD1 4.41Å; V308-L331 PolarHBondContact O-N 3.3Å; I310-L331 HydrophobicContact CD1-CD2 4.11Å; I310-L331 HydrophobicContact CG1-CD1 4.17Å; I310-L331 HydrophobicContact CG1-CD2 4.24Å; I310-L331 HydrophobicContact CG1-CG 4.09Å; L331-L339 HydrophobicContact CB-CD1 3.69Å; L331-V362 HydrophobicContact CD2-CG1 4.4Å; L331-V362 HydrophobicContact CD2-CG2 3.75Å
332	L	90.2	Very high	88.7	Confident	31 Å²	31	44 Å²	44	16%	0.162	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-45.1	-177.3	-61.6	176.7	0	0	0	112	L284 E330 L339 L361 A363	L284-L332 HydrophobicContact CD1-CD1 3.93Å; L284-L332 HydrophobicContact CD2-CD1 3.49Å; L284-L332 VanDerWaalsContact CD2-CD1 3.49Å; L284-L332 HydrophobicContact CG-CD1 4.36Å; E330-L332 HydrophobicContact CG-CD2 4.05Å; L332-L339 PolarHBondContact O-N 3.49Å; L332-L361 HydrophobicContact CB-CB 4.43Å; L332-L361 HydrophobicContact CB-CD2 4.13Å; L332-L361 HydrophobicContact CB-CG 4.2Å; L332-L361 HydrophobicContact CD1-CD2 4.34Å; L332-L361 HydrophobicContact CD1-CG 4.33Å; L332-L361 PolarHBondContact N-O 3.06Å; L332-A363 HydrophobicContact CD1-CB 4.34Å
333	S	91.3	Very high	88.7	Confident	17 Å²	17	47.6 Å²	47.6	12%	0.119	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	156.6	178.4	76.5	0	0	0	0	113.1	I337 L360 L361	S333-I337 CarbonylContact C-O 3.56Å; S333-I337 WeakPolarHBondContact CA-O 3.34Å; S333-I337 WeakPolarHBondContact CB-O 3.22Å; S333-L360 WeakPolarHBondContact O-CA 3.26Å; S333-L361 PolarHBondContact N-O 3.18Å; S333-L361 PolarHBondContact O-N 3.23Å; S333-L361 WeakPolarHBondContact OG-CB 3.11Å
334	V	91.8	Very high	88.7	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	117.9	-179	176.2	0	0	0	0	108.3	G336 I337 L339 M351 L354 I358 V359 L360	V334-G336 PolarHBondContact O-N 2.81Å; V334-G336 VanDerWaalsContact O-N 3.12Å; V334-I337 PolarHBondContact N-O 2.92Å; V334-I337 VanDerWaalsContact O-CB 3.27Å; V334-I337 WeakPolarHBondContact O-CB 3.29Å; V334-I337 PolarHBondContact O-N 3.28Å; V334-L339 HydrophobicContact CG2-CD1 3.54Å; V334-L339 HydrophobicContact CG2-CD2 3.98Å; V334-L339 HydrophobicContact CG2-CG 3.9Å; V334-M351 HydrophobicContact CG1-SD 4.22Å; V334-M351 HydrophobicContact CG2-SD 3.79Å; V334-L354 HydrophobicContact CG1-CD1 3.38Å; V334-L354 HydrophobicContact CG1-CD2 3.71Å; V334-L354 HydrophobicContact CG1-CG 4.14Å; V334-I358 HydrophobicContact CG1-CG2 4.44Å; V334-V359 CarbonylContact C-O 3.58Å; V334-V359 WeakPolarHBondContact CA-O 3.46Å; V334-L360 HydrophobicContact CB-CD2 4.22Å; V334-L360 HydrophobicContact CG1-CD2 4.05Å; V334-L360 HydrophobicContact CG2-CD2 3.64Å
335	N	90.4	Very high	88.8	Confident	72 Å²	72	51.9 Å²	51.9	39%	0.385	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	36.6	-177.3	-71.1	-4	0	0	0	113.1	I337 I358 V359	N335-I337 VanDerWaalsContact C-N 3.3Å; N335-I337 PolarHBondContact O-N 3.28Å; N335-I358 WeakPolarHBondContact OD1-CA 3.47Å; N335-V359 PolarHBondContact N-O 3.11Å; N335-V359 PolarHBondContact OD1-N 3.45Å
336	G	85.3	Confident	88.8	Confident	68 Å²	68	54.3 Å²	54.3	70%	0.701	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	-3	-177.3	0	0	0	0	0	115.2	V334	V334-G336 PolarHBondContact O-N 2.81Å; V334-G336 VanDerWaalsContact O-N 3.12Å
337	I	89.8	Confident	88.9	Confident	74 Å²	74	51.1 Å²	51.1	38%	0.379	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	116.3	175.5	-58.8	174.4	0	0	0	108.8	S333 V334 N335 I350	S333-I337 CarbonylContact C-O 3.56Å; S333-I337 WeakPolarHBondContact CA-O 3.34Å; S333-I337 WeakPolarHBondContact CB-O 3.22Å; V334-I337 PolarHBondContact N-O 2.92Å; V334-I337 VanDerWaalsContact O-CB 3.27Å; V334-I337 WeakPolarHBondContact O-CB 3.29Å; V334-I337 PolarHBondContact O-N 3.28Å; N335-I337 VanDerWaalsContact C-N 3.3Å; N335-I337 PolarHBondContact O-N 3.28Å; I337-I350 HydrophobicContact CG2-CD1 4.29Å
338	E	90	Very high	88.8	Confident	144 Å²	144	51 Å²	51	67%	0.673	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.6	136.1	174.3	-65.5	177.6	177.9	0	0	111.2	K342	E338-K342 WeakPolarHBondContact O-CD 3.48Å; E338-K342 WeakPolarHBondContact O-CE 3.39Å; E338-K342 PolarHBondContact O-NZ 3.38Å
339	L	87.9	Confident	88.9	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	32%	0.32	C	S	.	.			trans	-99.6	-18	177.4	-63.6	-175.5	0	0	0	112.9	V308 L331 L332 V334 G341 K342 V347	V308-L339 HydrophobicContact CG1-CD1 4.34Å; V308-L339 HydrophobicContact CG2-CB 4.22Å; L331-L339 HydrophobicContact CB-CD1 3.69Å; L332-L339 PolarHBondContact O-N 3.49Å; V334-L339 HydrophobicContact CG2-CD1 3.54Å; V334-L339 HydrophobicContact CG2-CD2 3.98Å; V334-L339 HydrophobicContact CG2-CG 3.9Å; L339-G341 PolarHBondContact O-N 2.79Å; L339-K342 WeakPolarHBondContact O-CB 3.1Å; L339-K342 PolarHBondContact O-N 2.77Å; L339-K342 VanDerWaalsContact O-N 3.15Å; L339-V347 HydrophobicContact CD2-CG1 4.39Å; L339-V347 HydrophobicContact CD2-CG2 4.31Å
340	L	84.5	Confident	88.8	Confident	105 Å²	105	56.4 Å²	56.4	55%	0.55	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	128.6	-176.4	-164.8	135.6	0	0	0	110.7	K342	L340-K342 VanDerWaalsContact C-N 3.28Å; L340-K342 PolarHBondContact O-N 2.98Å
341	G	81.8	Confident	88.6	Confident	52 Å²	52	56.4 Å²	56.4	54%	0.536	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	0.1	-178.8	0	0	0	0	0	116.1	N306 L339	N306-G341 PolarHBondContact O-N 3.46Å; L339-G341 PolarHBondContact O-N 2.79Å
342	K	87.8	Confident	88.3	Confident	65 Å²	65	59.5 Å²	59.5	28%	0.283	35%	0.353	S	S	.	.			trans	-78.8	151.7	172.8	-69.4	-173.4	174.6	163	0	111.7	E338 L339 L340 V347 I350	E338-K342 WeakPolarHBondContact O-CD 3.48Å; E338-K342 WeakPolarHBondContact O-CE 3.39Å; E338-K342 PolarHBondContact O-NZ 3.38Å; L339-K342 WeakPolarHBondContact O-CB 3.1Å; L339-K342 PolarHBondContact O-N 2.77Å; L339-K342 VanDerWaalsContact O-N 3.15Å; L340-K342 VanDerWaalsContact C-N 3.28Å; L340-K342 PolarHBondContact O-N 2.98Å; K342-V347 HydrophobicContact CB-CG2 3.79Å; K342-I350 HydrophobicContact CD-CD1 3.94Å
343	D	89	Confident	88.1	Confident	79 Å²	79	62.2 Å²	62.2	42%	0.422	38%	0.375	S	S	.	.			trans	-75.2	156.7	174.3	75.1	-14.5	0	0	0	111	N345 T346 V347	D343-N345 PolarHBondContact O-N 2.92Å; D343-T346 PolarHBondContact O-N 3.33Å; D343-T346 PolarHBondContact O-OG1 3.5Å; D343-T346 VanDerWaalsContact O-OG1 3.08Å; D343-T346 WeakPolarHBondContact OD1-CA 3.4Å; D343-T346 WeakPolarHBondContact OD1-CB 3.44Å; D343-T346 WeakPolarHBondContact OD1-CG2 3.31Å; D343-T346 PolarHBondContact OD1-N 2.96Å; D343-T346 PolarHBondContact OD1-OG1 2.8Å; D343-V347 VanDerWaalsContact O-CG2 3.3Å; D343-V347 WeakPolarHBondContact O-CG2 3.42Å; D343-V347 PolarHBondContact O-N 2.88Å; D343-V347 VanDerWaalsContact O-N 3.09Å
344	L	87.7	Confident	87.7	Confident	69 Å²	69	62 Å²	62	36%	0.361	37%	0.373	S	S	.	.	H	α-helix	trans	-60.1	-35.3	-176.3	-176.2	63.1	0	0	0	112.2	V347 C348	L344-V347 PolarHBondContact O-N 3.38Å; L344-C348 WeakPolarHBondContact O-CB 3.47Å; L344-C348 PolarHBondContact O-N 3.48Å; L344-C348 PolarHBondContact O-SG 3.44Å
345	N	89.3	Confident	87.4	Confident	111 Å²	111	68.7 Å²	68.7	59%	0.594	40%	0.404	S	S	*	.	H	α-helix	trans	-67.1	-47.4	-179.4	-64.3	-29.6	0	0	0	111.5	D343 V347 C348 D349	D343-N345 PolarHBondContact O-N 2.92Å; N345-V347 VanDerWaalsContact C-N 3.3Å; N345-V347 PolarHBondContact O-N 3.4Å; N345-C348 WeakPolarHBondContact O-CB 3.46Å; N345-C348 PolarHBondContact O-N 3.26Å; N345-D349 PolarHBondContact O-N 3.39Å
346	T	90.8	Very high	87.3	Confident	55 Å²	55	66.4 Å²	66.4	34%	0.337	40%	0.397	S	S	.	.	H	α-helix	trans	-65.3	-36.1	176.7	59.7	0	0	0	0	111.7	D343 D349 I350	D343-T346 PolarHBondContact O-N 3.33Å; D343-T346 PolarHBondContact O-OG1 3.5Å; D343-T346 VanDerWaalsContact O-OG1 3.08Å; D343-T346 WeakPolarHBondContact OD1-CA 3.4Å; D343-T346 WeakPolarHBondContact OD1-CB 3.44Å; D343-T346 WeakPolarHBondContact OD1-CG2 3.31Å; D343-T346 PolarHBondContact OD1-N 2.96Å; D343-T346 PolarHBondContact OD1-OG1 2.8Å; T346-D349 PolarHBondContact O-N 2.89Å; T346-I350 WeakPolarHBondContact O-CB 3.32Å; T346-I350 WeakPolarHBondContact O-CD1 3.42Å; T346-I350 WeakPolarHBondContact O-CG1 3.35Å; T346-I350 PolarHBondContact O-N 3.28Å
347	V	89.7	Confident	87.6	Confident	2 Å²	2	69.9 Å²	69.9	1%	0.012	39%	0.389	C	S	.	.	H	α-helix	trans	-61.4	-45.4	173.5	174.9	0	0	0	0	110.5	V308 L339 K342 D343 L344 N345 D349 I350 M351	V308-V347 HydrophobicContact CG1-CG1 4.05Å; V308-V347 HydrophobicContact CG2-CG2 4.11Å; L339-V347 HydrophobicContact CD2-CG1 4.39Å; L339-V347 HydrophobicContact CD2-CG2 4.31Å; K342-V347 HydrophobicContact CB-CG2 3.79Å; D343-V347 VanDerWaalsContact O-CG2 3.3Å; D343-V347 WeakPolarHBondContact O-CG2 3.42Å; D343-V347 PolarHBondContact O-N 2.88Å; D343-V347 VanDerWaalsContact O-N 3.09Å; L344-V347 PolarHBondContact O-N 3.38Å; N345-V347 VanDerWaalsContact C-N 3.3Å; N345-V347 PolarHBondContact O-N 3.4Å; V347-D349 PolarHBondContact O-N 2.94Å; V347-I350 PolarHBondContact O-N 3.32Å; V347-M351 HydrophobicContact CG1-CG 4.3Å; V347-M351 WeakPolarHBondContact O-CB 3.38Å; V347-M351 WeakPolarHBondContact O-CG 3.18Å; V347-M351 PolarHBondContact O-N 3.1Å
348	C	87.1	Confident	87.6	Confident	64 Å²	64	66.6 Å²	66.6	43%	0.432	37%	0.372	S	S	.	.	H	α-helix	trans	-60.5	-43.2	175.5	-75.3	0	0	0	0	112.2	L344 N345 M351 A352	L344-C348 WeakPolarHBondContact O-CB 3.47Å; L344-C348 PolarHBondContact O-N 3.48Å; L344-C348 PolarHBondContact O-SG 3.44Å; N345-C348 WeakPolarHBondContact O-CB 3.46Å; N345-C348 PolarHBondContact O-N 3.26Å; C348-M351 PolarHBondContact O-N 2.88Å; C348-A352 VanDerWaalsContact O-CB 3.25Å; C348-A352 WeakPolarHBondContact O-CB 3.29Å; C348-A352 PolarHBondContact O-N 2.85Å
349	D	89	Confident	87.7	Confident	112 Å²	112	61.6 Å²	61.6	60%	0.599	35%	0.352	S	S	*	.	H	α-helix	trans	-64.6	-43.8	178.1	-68.7	-24	0	0	0	111.9	N345 T346 V347 A352 S353	N345-D349 PolarHBondContact O-N 3.39Å; T346-D349 PolarHBondContact O-N 2.89Å; V347-D349 PolarHBondContact O-N 2.94Å; D349-A352 PolarHBondContact O-N 2.87Å; D349-S353 PolarHBondContact O-N 2.9Å
350	I	89.9	Confident	87.9	Confident	30 Å²	30	61.7 Å²	61.7	15%	0.154	35%	0.352	C	S	.	.	H	α-helix	trans	-58.9	-52.1	174.7	-68.6	163.1	0	0	0	109.1	I337 K342 T346 V347 A352 S353 L354	I337-I350 HydrophobicContact CG2-CD1 4.29Å; K342-I350 HydrophobicContact CD-CD1 3.94Å; T346-I350 WeakPolarHBondContact O-CB 3.32Å; T346-I350 WeakPolarHBondContact O-CD1 3.42Å; T346-I350 WeakPolarHBondContact O-CG1 3.35Å; T346-I350 PolarHBondContact O-N 3.28Å; V347-I350 PolarHBondContact O-N 3.32Å; I350-A352 VanDerWaalsContact C-N 3.31Å; I350-A352 PolarHBondContact O-N 3.24Å; I350-S353 PolarHBondContact O-N 3.32Å; I350-S353 VanDerWaalsContact O-N 3.17Å; I350-S353 PolarHBondContact O-OG 3.34Å; I350-L354 WeakPolarHBondContact O-CG 3.09Å; I350-L354 PolarHBondContact O-N 3.02Å
351	M	86.1	Confident	88.3	Confident	29 Å²	29	57.9 Å²	57.9	14%	0.143	33%	0.332	C	S	.	.	H	α-helix	trans	-63.9	-33.9	-178.4	-68.7	-66.9	-74.6	0	0	113.1	L297 V334 V347 C348 L354	L297-M351 HydrophobicContact CD2-CE 3.47Å; L297-M351 VanDerWaalsContact CD2-CE 3.47Å; V334-M351 HydrophobicContact CG1-SD 4.22Å; V334-M351 HydrophobicContact CG2-SD 3.79Å; V347-M351 HydrophobicContact CG1-CG 4.3Å; V347-M351 WeakPolarHBondContact O-CB 3.38Å; V347-M351 WeakPolarHBondContact O-CG 3.18Å; V347-M351 PolarHBondContact O-N 3.1Å; C348-M351 PolarHBondContact O-N 2.88Å; M351-L354 HydrophobicContact CE-CD1 4.46Å; M351-L354 HydrophobicContact SD-CD1 3.67Å
352	A	84.6	Confident	88.8	Confident	70 Å²	70	55.4 Å²	55.4	58%	0.579	31%	0.307	S	S	*	.	H	α-helix	trans	-66.8	-38.8	175.3	0	0	0	0	0	112	C348 D349 I350 L354	C348-A352 VanDerWaalsContact O-CB 3.25Å; C348-A352 WeakPolarHBondContact O-CB 3.29Å; C348-A352 PolarHBondContact O-N 2.85Å; D349-A352 PolarHBondContact O-N 2.87Å; I350-A352 VanDerWaalsContact C-N 3.31Å; I350-A352 PolarHBondContact O-N 3.24Å; A352-L354 VanDerWaalsContact C-N 3.28Å; A352-L354 PolarHBondContact O-N 2.69Å
353	S	86.1	Confident	88.9	Confident	88 Å²	88	52.5 Å²	52.5	62%	0.615	30%	0.295	S	S	*	.	H	α-helix	trans	-70.9	-18.2	-179.5	77.1	0	0	0	0	114.6	D349 I350 Q355	D349-S353 PolarHBondContact O-N 2.9Å; I350-S353 PolarHBondContact O-N 3.32Å; I350-S353 VanDerWaalsContact O-N 3.17Å; I350-S353 PolarHBondContact O-OG 3.34Å; S353-Q355 PolarHBondContact O-N 3Å
354	L	84.6	Confident	88.7	Confident	13 Å²	13	50.7 Å²	50.7	7%	0.068	29%	0.287	C	S	.	.			trans	-66.9	130.6	-178.5	-56.3	172.1	0	0	0	111.3	K291 V334 I350 M351 A352 I358	K291-L354 WeakPolarHBondContact CD-O 3.47Å; K291-L354 WeakPolarHBondContact CE-O 3.29Å; K291-L354 PolarHBondContact NZ-O 2.73Å; V334-L354 HydrophobicContact CG1-CD1 3.38Å; V334-L354 HydrophobicContact CG1-CD2 3.71Å; V334-L354 HydrophobicContact CG1-CG 4.14Å; I350-L354 WeakPolarHBondContact O-CG 3.09Å; I350-L354 PolarHBondContact O-N 3.02Å; M351-L354 HydrophobicContact CE-CD1 4.46Å; M351-L354 HydrophobicContact SD-CD1 3.67Å; A352-L354 VanDerWaalsContact C-N 3.28Å; A352-L354 PolarHBondContact O-N 2.69Å; L354-I358 HydrophobicContact CB-CD1 3.68Å; L354-I358 HydrophobicContact CB-CG1 4Å; L354-I358 HydrophobicContact CD1-CD1 4.08Å; L354-I358 HydrophobicContact CD1-CG1 4.41Å; L354-I358 HydrophobicContact CD1-CG2 3.87Å
355	Q	85.4	Confident	88.3	Confident	141 Å²	141	48.7 Å²	48.7	66%	0.659	28%	0.281	S	S	*	.			trans	-142.8	152.4	172.3	-65.7	-177.2	-8.4	0	0	109.4	S353	S353-Q355 PolarHBondContact O-N 3Å
356	G	87.6	Confident	87	Confident	24 Å²	24	50.6 Å²	50.6	25%	0.247	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	77.7	-134.5	-178.5	0	0	0	0	0	112.6	K291	K291-G356 PolarHBondContact N-O 3.49Å; K291-G356 WeakPolarHBondContact O-CA 3.46Å; K291-G356 PolarHBondContact O-N 2.9Å
357	R	90.4	Very high	85.5	Confident	141 Å²	141	54.8 Å²	54.8	53%	0.532	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	120.7	-179.1	-172.1	179.5	179.5	-173.3	-0.2	110.2	Y264 I288	Y264-R357 PolarHBondContact OH-NH2 2.8Å; I288-R357 HydrophobicContact CG2-CG 3.9Å
358	I	90.5	Very high	83.5	Confident	4 Å²	4	59.3 Å²	59.3	2%	0.021	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	126.8	178.4	-55.7	176.1	0	0	0	107.9	I288 L289 K291 V334 N335 L354 L360	I288-I358 CarbonylContact C-O 3.52Å; I288-I358 WeakPolarHBondContact CA-O 3.33Å; L289-I358 HydrophobicContact CB-CB 4.37Å; L289-I358 PolarHBondContact N-O 3.18Å; L289-I358 PolarHBondContact O-N 2.7Å; K291-I358 HydrophobicContact CB-CD1 3.7Å; K291-I358 HydrophobicContact CB-CG1 4.47Å; K291-I358 HydrophobicContact CD-CD1 3.91Å; K291-I358 HydrophobicContact CG-CD1 4.47Å; V334-I358 HydrophobicContact CG1-CG2 4.44Å; N335-I358 WeakPolarHBondContact OD1-CA 3.47Å; L354-I358 HydrophobicContact CB-CD1 3.68Å; L354-I358 HydrophobicContact CB-CG1 4Å; L354-I358 HydrophobicContact CD1-CD1 4.08Å; L354-I358 HydrophobicContact CD1-CG1 4.41Å; L354-I358 HydrophobicContact CD1-CG2 3.87Å; I358-L360 HydrophobicContact CG2-CD2 3.73Å; I358-L360 HydrophobicContact CG2-CG 4Å
359	V	92.3	Very high	81.4	Confident	40 Å²	40	65.9 Å²	65.9	24%	0.242	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	112.5	176.2	-176.6	0	0	0	0	107.9	Y286 I288 V334 N335	Y286-V359 HydrophobicContact CD1-CG1 3.83Å; Y286-V359 HydrophobicContact CE1-CG1 4.44Å; I288-V359 HydrophobicContact CG1-CG2 4.45Å; V334-V359 CarbonylContact C-O 3.58Å; V334-V359 WeakPolarHBondContact CA-O 3.46Å; N335-V359 PolarHBondContact N-O 3.11Å; N335-V359 PolarHBondContact OD1-N 3.45Å
360	L	92.9	Very high	79.4	Confident	1 Å²	1	64 Å²	64	1%	0.005	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	130.7	178.5	-55.4	174.2	0	0	0	109.2	Y286 V287 L289 L325 S333 V334 I358 V362	Y286-L360 CarbonylContact C-O 3.59Å; Y286-L360 VanDerWaalsContact CA-O 3.3Å; Y286-L360 WeakPolarHBondContact CA-O 3.28Å; V287-L360 HydrophobicContact CB-CB 4.26Å; V287-L360 PolarHBondContact N-O 3.47Å; V287-L360 PolarHBondContact O-N 2.94Å; L289-L360 HydrophobicContact CD1-CD1 3.8Å; L325-L360 HydrophobicContact CD1-CD1 3.9Å; L325-L360 HydrophobicContact CD2-CD1 4.2Å; S333-L360 WeakPolarHBondContact O-CA 3.26Å; V334-L360 HydrophobicContact CB-CD2 4.22Å; V334-L360 HydrophobicContact CG1-CD2 4.05Å; V334-L360 HydrophobicContact CG2-CD2 3.64Å; I358-L360 HydrophobicContact CG2-CD2 3.73Å; I358-L360 HydrophobicContact CG2-CG 4Å; L360-V362 HydrophobicContact CB-CG2 3.82Å
361	L	92.4	Very high	77.2	Confident	26 Å²	26	67.6 Å²	67.6	14%	0.136	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	120	164.6	-176.9	65	0	0	0	108.3	A268 L284 Y286 L332 S333	A268-L361 HydrophobicContact CB-CD1 3.8Å; L284-L361 HydrophobicContact CB-CD1 4.02Å; L284-L361 HydrophobicContact CD1-CD1 4.27Å; L284-L361 HydrophobicContact CD1-CD2 4.34Å; L284-L361 HydrophobicContact CD1-CG 4.48Å; Y286-L361 HydrophobicContact CD1-CB 4.41Å; Y286-L361 HydrophobicContact CD1-CD1 4.04Å; Y286-L361 HydrophobicContact CE1-CB 4.2Å; Y286-L361 HydrophobicContact CE1-CD1 3.76Å; Y286-L361 HydrophobicContact CE1-CG 4.48Å; Y286-L361 HydrophobicContact CE2-CD1 4.46Å; L332-L361 HydrophobicContact CB-CB 4.43Å; L332-L361 HydrophobicContact CB-CD2 4.13Å; L332-L361 HydrophobicContact CB-CG 4.2Å; L332-L361 HydrophobicContact CD1-CD2 4.34Å; L332-L361 HydrophobicContact CD1-CG 4.33Å; L332-L361 PolarHBondContact N-O 3.06Å; S333-L361 PolarHBondContact N-O 3.18Å; S333-L361 PolarHBondContact O-N 3.23Å; S333-L361 WeakPolarHBondContact OG-CB 3.11Å
362	V	91.4	Very high	75.3	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	134.2	-170.6	-173.9	0	0	0	0	110	K285 V287 L325 D329 E330 L331 L360 P364	K285-V362 HydrophobicContact CD-CB 4.47Å; K285-V362 HydrophobicContact CG-CB 3.89Å; K285-V362 PolarHBondContact N-O 3.09Å; K285-V362 PolarHBondContact O-N 2.95Å; V287-V362 HydrophobicContact CB-CG2 4.43Å; V287-V362 HydrophobicContact CG2-CB 4.43Å; V287-V362 HydrophobicContact CG2-CG2 3.94Å; L325-V362 HydrophobicContact CD2-CG2 4.05Å; D329-V362 HydrophobicContact CB-CG1 3.63Å; E330-V362 CarbonylContact O-C 3.57Å; E330-V362 VanDerWaalsContact O-CA 3.28Å; E330-V362 WeakPolarHBondContact O-CA 3.25Å; E330-V362 WeakPolarHBondContact O-CG1 3.48Å; L331-V362 HydrophobicContact CD2-CG1 4.4Å; L331-V362 HydrophobicContact CD2-CG2 3.75Å; L360-V362 HydrophobicContact CB-CG2 3.82Å; V362-P364 WeakPolarHBondContact O-CD 3.44Å
363	A	90	Very high	73.4	Confident	4 Å²	4	69.5 Å²	69.5	3%	0.033	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	111.6	162.1	0	0	0	0	0	108.2	V282 L284 E330 L332	V282-A363 HydrophobicContact CG1-CB 4.47Å; L284-A363 HydrophobicContact CD2-CB 3.65Å; E330-A363 HydrophobicContact CB-CB 4.11Å; E330-A363 PolarHBondContact N-O 3.16Å; E330-A363 PolarHBondContact O-N 3.41Å; L332-A363 HydrophobicContact CD1-CB 4.34Å
364	P	86	Confident	71.7	Confident	40 Å²	40	71 Å²	71	26%	0.26	40%	0.395	S	S	.	.			trans	-60.3	145.3	179.5	-22.3	32.9	0	0	0	112.6	V282 R283 K285 D329 V362	V282-P364 WeakPolarHBondContact CG1-O 3.46Å; R283-P364 WeakPolarHBondContact O-CD 3.49Å; K285-P364 HydrophobicContact CD-CG 3.9Å; K285-P364 HydrophobicContact CG-CG 4.07Å; D329-P364 WeakPolarHBondContact OD1-CA 3.34Å; V362-P364 WeakPolarHBondContact O-CD 3.44Å
365	A	77.7	Confident	70.4	Confident	27 Å²	27	74.6 Å²	74.6	22%	0.223	41%	0.41	C	S	.	.			trans	-62.5	144.6	171.4	0	0	0	0	0	111.5	D329 D367	D329-A365 PolarHBondContact OD1-N 2.95Å; A365-D367 PolarHBondContact O-N 3.49Å
366	L	63.8	Low	69.8	Low	152 Å²	152	70.5 Å²	70.5	80%	0.796	41%	0.405	S	S	*	.	S	Bend	trans	-64.1	-3.7	176.3	-82.2	156.6	0	0	0	114.4	P368	L366-P368 VanDerWaalsContact O-CD 3.25Å; L366-P368 WeakPolarHBondContact O-CD 3.28Å
367	D	58.6	Low	69.7	Low	143 Å²	143	74.2 Å²	74.2	77%	0.765	42%	0.419	S	S	*	.			trans	-106.4	84.5	174.7	-76.2	-25.3	0	0	0	110.2	A365 Y369	A365-D367 PolarHBondContact O-N 3.49Å; D367-Y369 PolarHBondContact O-N 3.47Å; D367-Y369 VanDerWaalsContact O-N 3.12Å
368	P	47.6	Very low	69.6	Low	97 Å²	97	68.3 Å²	68.3	63%	0.63	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	12.4	-170.1	-6.7	28	0	0	0	113.4	L366	L366-P368 VanDerWaalsContact O-CD 3.25Å; L366-P368 WeakPolarHBondContact O-CD 3.28Å
369	Y	42.8	Very low	69.7	Low	201 Å²	201	70.9 Å²	70.9	79%	0.788	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136	27.2	-168.7	-59.7	-69.2	0	0	0	116	D367 S371	D367-Y369 PolarHBondContact O-N 3.47Å; D367-Y369 VanDerWaalsContact O-N 3.12Å; Y369-S371 PolarHBondContact O-N 3.23Å
370	S	45.9	Very low	69.7	Low	73 Å²	73	69 Å²	69	51%	0.51	40%	0.398	S	S	.	.			trans	-72.5	59	155.1	171.8	0	0	0	0	109.4	V372	S370-V372 WeakPolarHBondContact O-CG2 3.42Å; S370-V372 PolarHBondContact O-N 2.9Å; S370-V372 VanDerWaalsContact O-N 3.07Å
371	S	44.5	Very low	69.6	Low	105 Å²	105	69.7 Å²	69.7	73%	0.734	40%	0.4	S	S	*	.			trans	-60.9	116.2	169.8	66.9	0	0	0	0	107.4	Y369 S373	Y369-S371 PolarHBondContact O-N 3.23Å; S371-S373 PolarHBondContact O-N 3.43Å
372	V	46.6	Very low	69.6	Low	64 Å²	64	68.4 Å²	68.4	39%	0.388	39%	0.394	S	S	.	.			trans	-79.6	92.6	-175.5	-166.2	0	0	0	0	106.7	S370 T374	S370-V372 WeakPolarHBondContact O-CG2 3.42Å; S370-V372 PolarHBondContact O-N 2.9Å; S370-V372 VanDerWaalsContact O-N 3.07Å; V372-T374 PolarHBondContact O-N 3.24Å
373	S	44.3	Very low	69.4	Low	76 Å²	76	68.9 Å²	68.9	53%	0.531	40%	0.396	S	S	.	.			trans	-61.7	110.1	157	65.4	0	0	0	0	105.7	S371 K375	S371-S373 PolarHBondContact O-N 3.43Å; S373-K375 PolarHBondContact O-N 2.93Å; S373-K375 WeakPolarHBondContact OG-CE 3.23Å; S373-K375 VanDerWaalsContact OG-CG 3.29Å; S373-K375 WeakPolarHBondContact OG-CG 3.45Å
374	T	50.3	Low	69.2	Low	118 Å²	118	70 Å²	70	72%	0.724	40%	0.4	S	S	*	.			trans	-67.9	68.7	167.2	43.2	0	0	0	0	107.9	V372 G376	V372-T374 PolarHBondContact O-N 3.24Å; T374-G376 PolarHBondContact O-N 2.87Å
375	K	57.8	Low	69.3	Low	90 Å²	90	71.7 Å²	71.7	39%	0.391	41%	0.41	S	S	.	.			trans	-53.1	128.5	173.3	-63.2	-176.9	176.1	-175.3	0	106	S373 R414 S657	S373-K375 PolarHBondContact O-N 2.93Å; S373-K375 WeakPolarHBondContact OG-CE 3.23Å; S373-K375 VanDerWaalsContact OG-CG 3.29Å; S373-K375 WeakPolarHBondContact OG-CG 3.45Å; K375-R414 PolarHBondContact O-NH2 2.84Å; K375-S657 WeakPolarHBondContact CD-O 3.34Å; K375-S657 WeakPolarHBondContact CE-O 3.44Å; K375-S657 PolarHBondContact NZ-O 2.87Å
376	G	72.3	Confident	70	Confident	54 Å²	54	70.9 Å²	70.9	56%	0.557	40%	0.401	S	S	*	.			trans	-44	159.8	-162.8	0	0	0	0	0	116.7	T374 I378 R414	T374-G376 PolarHBondContact O-N 2.87Å; G376-I378 PolarHBondContact O-N 2.9Å; G376-R414 PolarHBondContact O-NH2 3.45Å
377	I	85.9	Confident	71.4	Confident	103 Å²	103	67.2 Å²	67.2	53%	0.528	38%	0.38	S	S	.	.			trans	-63.7	130.4	179.6	-56.3	176.1	0	0	0	109.1	H410 V411 T412	I377-H410 HydrophobicContact CG2-CB 4.14Å; I377-V411 WeakPolarHBondContact CA-O 3.36Å; I377-T412 HydrophobicContact CD1-CG2 4.48Å; I377-T412 HydrophobicContact CG1-CG2 4.28Å
378	I	88.5	Confident	72.9	Confident	16 Å²	16	61.5 Å²	61.5	8%	0.082	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	131.3	174.3	-66.4	169	0	0	0	108.5	G376 L380 V411 R414 P660 V661	G376-I378 PolarHBondContact O-N 2.9Å; I378-L380 HydrophobicContact CG2-CD2 3.72Å; I378-L380 HydrophobicContact CG2-CG 4.02Å; I378-V411 HydrophobicContact CB-CB 4.38Å; I378-V411 PolarHBondContact N-O 2.83Å; I378-V411 PolarHBondContact O-N 2.75Å; I378-R414 VanDerWaalsContact CD1-CZ 3.44Å; I378-R414 VanDerWaalsContact CD1-NH1 3.3Å; I378-P660 HydrophobicContact CD1-CG 4.24Å; I378-V661 HydrophobicContact CD1-CG2 3.99Å; I378-V661 HydrophobicContact CG2-CG2 3.74Å
379	H	92.3	Very high	74.9	Confident	59 Å²	59	60.4 Å²	60.4	27%	0.273	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	125.1	175.9	-51.9	-66.7	0	0	0	110	H410 V684 W885	H379-H410 AromaticContact CE1-CE1 3.58Å; H379-H410 AromaticContact CE1-ND1 3.14Å; H379-H410 PolarHBondContact CE1-ND1 3.43Å; H379-H410 AromaticContact ND1-CE1 3.18Å; H379-H410 PolarHBondContact ND1-CE1 3.4Å; H379-H410 AromaticContact ND1-CG 3.71Å; H379-H410 AromaticContact ND1-ND1 2.85Å; H379-H410 PolarHBondContact ND1-ND1 2.95Å; H379-V684 HydrophobicContact CB-CG2 3.91Å; H379-V684 WeakPolarHBondContact CB-O 3.37Å; H379-V684 WeakPolarHBondContact O-CG2 3.24Å; H379-V684 PolarHBondContact O-N 3.23Å; H379-W885 HydrophobicContact CB-CE3 4.43Å; H379-W885 HydrophobicContact CB-CH2 3.94Å; H379-W885 HydrophobicContact CB-CZ3 3.53Å; H379-W885 AromaticContact CD2-CZ3 3.94Å; H379-W885 AromaticContact CG-CH2 3.61Å; H379-W885 AromaticContact CG-CZ3 3.61Å; H379-W885 AromaticContact ND1-CH2 3.71Å
380	L	92.5	Very high	77	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	146.9	-179.2	-60.9	-179.2	0	0	0	109.8	I378 I408 I409 V411 W420 V661 Y681 E682 P683	I378-L380 HydrophobicContact CG2-CD2 3.72Å; I378-L380 HydrophobicContact CG2-CG 4.02Å; L380-I408 CarbonylContact O-C 3.46Å; L380-I408 WeakPolarHBondContact O-CA 3.49Å; L380-I409 PolarHBondContact N-O 3.03Å; L380-I409 PolarHBondContact O-N 3.31Å; L380-V411 HydrophobicContact CD1-CG2 3.63Å; L380-V411 HydrophobicContact CG-CG2 4.16Å; L380-W420 HydrophobicContact CD1-CE3 4.42Å; L380-W420 HydrophobicContact CD1-CZ3 4.04Å; L380-V661 HydrophobicContact CD2-CG1 4.39Å; L380-Y681 HydrophobicContact CB-CD1 4.31Å; L380-Y681 HydrophobicContact CD1-CD1 4.3Å; L380-Y681 HydrophobicContact CD1-CD2 4.46Å; L380-Y681 HydrophobicContact CD1-CG 4.01Å; L380-E682 CarbonylContact C-O 3.57Å; L380-E682 WeakPolarHBondContact CA-O 3.41Å; L380-P683 HydrophobicContact CD2-CB 4.28Å; L380-P683 HydrophobicContact CD2-CG 4.3Å
381	R	91.8	Very high	79	Confident	15 Å²	15	51.2 Å²	51.2	6%	0.057	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	129.7	166.4	-173.5	-175.5	-47.7	-156.2	-0.1	109.1	L383 D407 I408 Y681 E682 V684 D857 W885	R381-L383 PolarHBondContact O-N 3.1Å; R381-D407 WeakPolarHBondContact CA-O 3.26Å; R381-I408 HydrophobicContact CB-CD1 4Å; R381-I408 HydrophobicContact CG-CD1 4Å; R381-Y681 WeakPolarHBondContact O-CA 3.32Å; R381-E682 HydrophobicContact CB-CB 4.34Å; R381-E682 PolarHBondContact N-O 3.38Å; R381-E682 IonicContact NE-OE2 3.59Å; R381-E682 PolarHBondContact O-N 2.93Å; R381-V684 HydrophobicContact CB-CG1 3.7Å; R381-V684 HydrophobicContact CB-CG2 4.49Å; R381-D857 IonicContact NH1-OD1 2.65Å; R381-D857 PolarHBondContact NH1-OD1 3.14Å; R381-W885 VanDerWaalsContact NH2-C 3.32Å; R381-W885 PolarHBondContact NH2-O 3.46Å
382	A	91.6	Very high	80.9	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	123.9	176.9	0	0	0	0	0	110.9	F403 G406 D407 I409	A382-F403 HydrophobicContact CB-CD2 3.39Å; A382-F403 HydrophobicContact CB-CE2 3.58Å; A382-F403 HydrophobicContact CB-CG 4.37Å; A382-G406 PolarHBondContact O-N 3.39Å; A382-D407 PolarHBondContact N-O 2.86Å; A382-I409 HydrophobicContact CB-CD1 3.96Å
383	L	87.1	Confident	82.8	Confident	9 Å²	9	58.5 Å²	58.5	5%	0.047	31%	0.31	C	S	.	.	S	Bend	trans	-95.8	0.7	175.8	-57.2	178	0	0	0	112.8	R381 Y672 W679 T680 E682 H854	R381-L383 PolarHBondContact O-N 3.1Å; L383-Y672 HydrophobicContact CD1-CE1 3.64Å; L383-W679 HydrophobicContact CB-CB 3.85Å; L383-W679 HydrophobicContact CD1-CB 3.95Å; L383-W679 HydrophobicContact CD1-CG 4.44Å; L383-T680 PolarHBondContact N-O 3.36Å; L383-T680 VanDerWaalsContact N-O 3.11Å; L383-E682 HydrophobicContact CD1-CB 4.16Å; L383-E682 HydrophobicContact CD2-CB 4.1Å; L383-E682 HydrophobicContact CG-CB 4.28Å; L383-H854 HydrophobicContact CD2-CB 3.92Å
384	F	86.1	Confident	84.9	Confident	28 Å²	28	55.3 Å²	55.3	12%	0.123	29%	0.287	C	S	.	.	S	Bend	trans	-143	165.9	178.1	69.9	-76.1	0	0	0	110	F403 P443 Q448 T680 Y681	F384-F403 HydrophobicContact CD2-CE2 4.38Å; F384-F403 HydrophobicContact CE1-CE2 4.15Å; F384-F403 HydrophobicContact CE1-CZ 4.17Å; F384-F403 AromaticContact CE2-CE2 4Å; F384-F403 HydrophobicContact CE2-CE2 4Å; F384-F403 AromaticContact CE2-CZ 3.87Å; F384-F403 HydrophobicContact CE2-CZ 3.87Å; F384-F403 AromaticContact CZ-CE2 3.87Å; F384-F403 HydrophobicContact CZ-CE2 3.87Å; F384-F403 AromaticContact CZ-CZ 3.57Å; F384-F403 HydrophobicContact CZ-CZ 3.57Å; F384-F403 WeakPolarHBondContact O-CE2 3.47Å; F384-P443 HydrophobicContact CZ-CG 4.17Å; F384-Q448 HydrophobicContact CD1-CG 4.35Å; F384-Q448 HydrophobicContact CE1-CG 3.71Å; F384-Q448 VanDerWaalsContact CE2-CD 3.43Å; F384-Q448 HydrophobicContact CE2-CG 4Å; F384-Q448 HydrophobicContact CZ-CB 4.35Å; F384-Q448 VanDerWaalsContact CZ-CD 3.46Å; F384-Q448 HydrophobicContact CZ-CG 3.49Å; F384-Q448 VanDerWaalsContact CZ-CG 3.49Å; F384-T680 WeakPolarHBondContact CD1-O 3.49Å; F384-T680 VanDerWaalsContact CE1-O 3.22Å; F384-T680 WeakPolarHBondContact CE1-O 3.43Å; F384-Y681 HydrophobicContact CE1-CD1 4.39Å; F384-Y681 AromaticContact CE1-CE1 3.86Å; F384-Y681 HydrophobicContact CE1-CE1 3.86Å; F384-Y681 HydrophobicContact CE1-CE2 4.02Å; F384-Y681 AromaticContact CE1-CZ 3.68Å; F384-Y681 HydrophobicContact CZ-CE1 4.25Å; F384-Y681 HydrophobicContact CZ-CE2 4.29Å; F384-Y681 AromaticContact CZ-CZ 3.78Å; F384-Y681 WeakPolarHBondContact CZ-OH 3.31Å
385	T	88.7	Confident	86.5	Confident	75 Å²	75	54.4 Å²	54.4	46%	0.46	29%	0.291	S	S	.	.			trans	-95.9	136.3	174	-59.7	0	0	0	0	109.7	F403 T404 K405	T385-F403 CarbonylContact C-O 3.48Å; T385-F403 WeakPolarHBondContact CA-O 3.22Å; T385-F403 WeakPolarHBondContact CG2-O 3.25Å; T385-T404 HydrophobicContact CG2-CG2 4.33Å; T385-K405 PolarHBondContact OG1-N 2.98Å
386	Y	91.6	Very high	87.8	Confident	11 Å²	11	52.2 Å²	52.2	4%	0.043	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-124.7	121.4	178.2	177.3	-119.5	0	0	0	110.5	P388 D391 L401 G402 F403 W419 P443	Y386-P388 HydrophobicContact CE1-CB 4.1Å; Y386-D391 HydrophobicContact CE2-CB 4.16Å; Y386-D391 VanDerWaalsContact CE2-OD2 3.31Å; Y386-D391 WeakPolarHBondContact CE2-OD2 3.49Å; Y386-D391 PolarHBondContact OH-OD2 3.46Å; Y386-L401 VanDerWaalsContact CD1-O 3.3Å; Y386-L401 WeakPolarHBondContact CD1-O 3.38Å; Y386-G402 VanDerWaalsContact O-CA 3.3Å; Y386-G402 WeakPolarHBondContact O-CA 3.39Å; Y386-F403 HydrophobicContact CD1-CD1 4.1Å; Y386-F403 AromaticContact CD1-CE1 3.59Å; Y386-F403 HydrophobicContact CD1-CE1 3.59Å; Y386-F403 HydrophobicContact CD1-CZ 4.17Å; Y386-F403 AromaticContact CG-CE1 3.9Å; Y386-F403 HydrophobicContact CG-CE1 3.9Å; Y386-F403 HydrophobicContact CG-CZ 4Å; Y386-F403 PolarHBondContact N-O 2.76Å; Y386-F403 PolarHBondContact O-N 2.74Å; Y386-F403 VanDerWaalsContact O-N 3.08Å; Y386-W419 WeakPolarHBondContact OH-CZ3 3.34Å; Y386-P443 HydrophobicContact CD2-CG 4.42Å; Y386-P443 HydrophobicContact CE2-CG 4.47Å
387	E	92	Very high	88.6	Confident	75 Å²	75	55.8 Å²	55.8	35%	0.35	29%	0.287	S	S	.	.			trans	-113.6	111	174.6	-70.1	-176.1	-166.8	0	0	109.2	S389 D390	E387-S389 PolarHBondContact O-N 3.41Å; E387-D390 PolarHBondContact O-N 3.1Å
388	P	90.6	Very high	88.7	Confident	22 Å²	22	58.5 Å²	58.5	14%	0.143	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-20.4	-175.8	26.8	-35.2	0	0	0	113.3	Y386 D390 D391 I394	Y386-P388 HydrophobicContact CE1-CB 4.1Å; P388-D390 VanDerWaalsContact C-N 3.27Å; P388-D390 PolarHBondContact O-N 3.2Å; P388-D391 PolarHBondContact O-N 3.21Å; P388-I394 HydrophobicContact CB-CD1 4.26Å
389	S	89.6	Confident	88.8	Confident	75 Å²	75	58.4 Å²	58.4	52%	0.524	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-37.8	175.3	47.9	0	0	0	0	112.5	E387 D391	E387-S389 PolarHBondContact O-N 3.41Å; S389-D391 VanDerWaalsContact C-N 3.33Å
390	D	87.2	Confident	88.8	Confident	76 Å²	76	56.2 Å²	56.2	41%	0.406	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-13.5	-175.6	-71.7	12.3	0	0	0	111.9	E387 P388 R392	E387-D390 PolarHBondContact O-N 3.1Å; P388-D390 VanDerWaalsContact C-N 3.27Å; P388-D390 PolarHBondContact O-N 3.2Å; D390-R392 PolarHBondContact O-N 3.15Å
391	D	87.6	Confident	88.9	Confident	4 Å²	4	56.5 Å²	56.5	2%	0.021	29%	0.291	C	S	.	.			trans	-80	119.9	-179.9	-155.9	-22.9	0	0	0	111.8	Y386 P388 S389 Y393 I394 W419 R451	Y386-D391 HydrophobicContact CE2-CB 4.16Å; Y386-D391 VanDerWaalsContact CE2-OD2 3.31Å; Y386-D391 WeakPolarHBondContact CE2-OD2 3.49Å; Y386-D391 PolarHBondContact OH-OD2 3.46Å; P388-D391 PolarHBondContact O-N 3.21Å; S389-D391 VanDerWaalsContact C-N 3.33Å; D391-Y393 WeakPolarHBondContact OD1-CB 3.48Å; D391-Y393 WeakPolarHBondContact OD1-CD2 3.29Å; D391-Y393 PolarHBondContact OD1-N 2.72Å; D391-I394 HydrophobicContact CB-CB 4.41Å; D391-I394 HydrophobicContact CB-CG2 4.1Å; D391-I394 WeakPolarHBondContact O-CG2 3.49Å; D391-W419 WeakPolarHBondContact OD2-CH2 3.46Å; D391-R451 IonicContact OD1-CZ 2.62Å; D391-R451 IonicContact OD1-NH1 3.77Å; D391-R451 IonicContact OD1-NH2 3.7Å; D391-R451 PolarHBondContact OD1-NH2 2.87Å; D391-R451 VanDerWaalsContact OD1-NH2 3.11Å; D391-R451 IonicContact OD2-CZ 3.09Å; D391-R451 IonicContact OD2-NH1 3.92Å; D391-R451 PolarHBondContact OD2-NH1 3.29Å; D391-R451 IonicContact OD2-NH2 2.8Å; D391-R451 PolarHBondContact OD2-NH2 2.83Å
392	R	85.9	Confident	88.9	Confident	162 Å²	162	56.9 Å²	56.9	61%	0.611	30%	0.3	S	S	*	.	S	Bend	trans	-84.1	-16.4	175.4	-58	-175	-169.8	-172.3	5.6	112.9	D390	D390-R392 PolarHBondContact O-N 3.15Å
393	Y	86.3	Confident	89	Confident	160 Å²	160	57 Å²	57	63%	0.627	30%	0.301	S	S	*	.	S	Bend	trans	-95.3	-9.6	-173.3	-57.8	-73	0	0	0	113.3	D391 A395 W419 Y447	D391-Y393 WeakPolarHBondContact OD1-CB 3.48Å; D391-Y393 WeakPolarHBondContact OD1-CD2 3.29Å; D391-Y393 PolarHBondContact OD1-N 2.72Å; Y393-A395 PolarHBondContact O-N 3.11Å; Y393-W419 WeakPolarHBondContact O-CZ2 3.41Å; Y393-Y447 WeakPolarHBondContact CB-OH 3.47Å
394	I	87	Confident	89	Confident	10 Å²	10	60.1 Å²	60.1	5%	0.051	32%	0.32	C	S	.	.			trans	-73.9	124.1	176	-167.4	172.7	0	0	0	109.7	P388 D391 C396 K397 W419 L441	P388-I394 HydrophobicContact CB-CD1 4.26Å; D391-I394 HydrophobicContact CB-CB 4.41Å; D391-I394 HydrophobicContact CB-CG2 4.1Å; D391-I394 WeakPolarHBondContact O-CG2 3.49Å; I394-C396 WeakPolarHBondContact CD1-O 3.49Å; I394-K397 HydrophobicContact CG2-CG 3.75Å; I394-W419 HydrophobicContact CB-CH2 3.86Å; I394-W419 HydrophobicContact CB-CZ2 4.13Å; I394-W419 HydrophobicContact CB-CZ3 4.43Å; I394-W419 HydrophobicContact CG1-CH2 4.26Å; I394-W419 HydrophobicContact CG1-CZ3 4.38Å; I394-L441 HydrophobicContact CD1-CB 4.42Å
395	A	84.6	Confident	89	Confident	99 Å²	99	61.8 Å²	61.8	82%	0.818	33%	0.327	S	S	*	.	S	Bend	trans	-67.4	-42	-177.5	0	0	0	0	0	112.4	Y393	Y393-A395 PolarHBondContact O-N 3.11Å
396	C	85.8	Confident	88.8	Confident	44 Å²	44	60 Å²	60	30%	0.297	32%	0.324	S	S	.	.			trans	-121.8	100	178.3	-61.6	0	0	0	0	109.3	I394 E398 L399	I394-C396 WeakPolarHBondContact CD1-O 3.49Å; C396-E398 PolarHBondContact O-N 3.04Å; C396-L399 HydrophobicContact CB-CB 4.28Å; C396-L399 HydrophobicContact CB-CD1 4.12Å; C396-L399 HydrophobicContact CB-CG 4.3Å; C396-L399 PolarHBondContact O-N 3.29Å; C396-L399 VanDerWaalsContact O-N 3.12Å
397	K	88.3	Confident	88.7	Confident	129 Å²	129	61.2 Å²	61.2	56%	0.561	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-58	-35	-179.9	-70.9	-172.8	175	-163.7	0	113	I394 L399 G400	I394-K397 HydrophobicContact CG2-CG 3.75Å; K397-L399 PolarHBondContact O-N 2.85Å; K397-G400 PolarHBondContact O-N 3.31Å
398	E	87	Confident	88.7	Confident	160 Å²	160	58.5 Å²	58.5	75%	0.748	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-61.4	-30.9	178.2	-64.5	-176.6	176.4	0	0	113.4	C396 G400 I435	C396-E398 PolarHBondContact O-N 3.04Å; E398-G400 VanDerWaalsContact C-N 3.32Å; E398-I435 HydrophobicContact CB-CD1 4.03Å; E398-I435 WeakPolarHBondContact O-CD1 3.43Å
399	L	91.8	Very high	88.9	Confident	14 Å²	14	57.4 Å²	57.4	7%	0.073	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-86.9	-3	176	-69.6	176.4	0	0	0	112.4	T300 V314 C396 K397 L401 A434 L438 G440 L441	T300-L399 HydrophobicContact CG2-CD1 3.43Å; T300-L399 VanDerWaalsContact CG2-CD1 3.43Å; V314-L399 HydrophobicContact CG1-CD2 4.32Å; V314-L399 HydrophobicContact CG2-CD1 3.72Å; V314-L399 HydrophobicContact CG2-CD2 4.33Å; C396-L399 HydrophobicContact CB-CB 4.28Å; C396-L399 HydrophobicContact CB-CD1 4.12Å; C396-L399 HydrophobicContact CB-CG 4.3Å; C396-L399 PolarHBondContact O-N 3.29Å; C396-L399 VanDerWaalsContact O-N 3.12Å; K397-L399 PolarHBondContact O-N 2.85Å; L399-L401 PolarHBondContact O-N 3.12Å; L399-A434 WeakPolarHBondContact O-CB 3.37Å; L399-L438 HydrophobicContact CD2-CD1 4.48Å; L399-G440 CarbonylContact O-C 3.59Å; L399-G440 WeakPolarHBondContact O-CA 3.43Å; L399-L441 HydrophobicContact CB-CD1 4.03Å; L399-L441 HydrophobicContact CB-CG 4.08Å; L399-L441 HydrophobicContact CD1-CD1 4.46Å; L399-L441 PolarHBondContact O-N 3.28Å
400	G	92.3	Very high	89	Confident	12 Å²	12	54.7 Å²	54.7	12%	0.124	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-66.1	123.1	-179.8	0	0	0	0	0	112	K397 E398	K397-G400 PolarHBondContact O-N 3.31Å; E398-G400 VanDerWaalsContact C-N 3.32Å
401	L	93.5	Very high	89.3	Confident	6 Å²	6	51.1 Å²	51.1	3%	0.031	27%	0.272	C	S	.	.			trans	-92.2	104.6	175	-175	63.1	0	0	0	109.9	Y386 L399 F403 A422 R424 L441 I442	Y386-L401 VanDerWaalsContact CD1-O 3.3Å; Y386-L401 WeakPolarHBondContact CD1-O 3.38Å; L399-L401 PolarHBondContact O-N 3.12Å; L401-F403 WeakPolarHBondContact O-CD1 3.23Å; L401-A422 HydrophobicContact CD2-CB 4.41Å; L401-R424 HydrophobicContact CD1-CB 4.25Å; L401-R424 HydrophobicContact CD2-CB 4.21Å; L401-L441 PolarHBondContact N-O 3.47Å; L401-L441 VanDerWaalsContact N-O 3.1Å; L401-I442 HydrophobicContact CB-CG2 3.9Å; L401-I442 HydrophobicContact CD2-CG2 4.05Å; L401-I442 HydrophobicContact CG-CG2 4.37Å
402	G	92.7	Very high	89.4	Confident	23 Å²	23	52.2 Å²	52.2	24%	0.237	28%	0.278	C	S	.	.			trans	-72.6	138.3	172.4	0	0	0	0	0	112.2	Y386 R424	Y386-G402 VanDerWaalsContact O-CA 3.3Å; Y386-G402 WeakPolarHBondContact O-CA 3.39Å; G402-R424 PolarHBondContact O-NH1 3.24Å
403	F	92.5	Very high	89.4	Confident	3 Å²	3	45 Å²	45	1%	0.013	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-147.9	155.2	176.4	58.8	-100	0	0	0	111	A382 F384 T385 Y386 L401 D407 I409 I442 Y681	A382-F403 HydrophobicContact CB-CD2 3.39Å; A382-F403 HydrophobicContact CB-CE2 3.58Å; A382-F403 HydrophobicContact CB-CG 4.37Å; F384-F403 HydrophobicContact CD2-CE2 4.38Å; F384-F403 HydrophobicContact CE1-CE2 4.15Å; F384-F403 HydrophobicContact CE1-CZ 4.17Å; F384-F403 AromaticContact CE2-CE2 4Å; F384-F403 HydrophobicContact CE2-CE2 4Å; F384-F403 AromaticContact CE2-CZ 3.87Å; F384-F403 HydrophobicContact CE2-CZ 3.87Å; F384-F403 AromaticContact CZ-CE2 3.87Å; F384-F403 HydrophobicContact CZ-CE2 3.87Å; F384-F403 AromaticContact CZ-CZ 3.57Å; F384-F403 HydrophobicContact CZ-CZ 3.57Å; F384-F403 WeakPolarHBondContact O-CE2 3.47Å; T385-F403 CarbonylContact C-O 3.48Å; T385-F403 WeakPolarHBondContact CA-O 3.22Å; T385-F403 WeakPolarHBondContact CG2-O 3.25Å; Y386-F403 HydrophobicContact CD1-CD1 4.1Å; Y386-F403 AromaticContact CD1-CE1 3.59Å; Y386-F403 HydrophobicContact CD1-CE1 3.59Å; Y386-F403 HydrophobicContact CD1-CZ 4.17Å; Y386-F403 AromaticContact CG-CE1 3.9Å; Y386-F403 HydrophobicContact CG-CE1 3.9Å; Y386-F403 HydrophobicContact CG-CZ 4Å; Y386-F403 PolarHBondContact N-O 2.76Å; Y386-F403 PolarHBondContact O-N 2.74Å; Y386-F403 VanDerWaalsContact O-N 3.08Å; L401-F403 WeakPolarHBondContact O-CD1 3.23Å; F403-D407 HydrophobicContact CB-CB 4.21Å; F403-I409 HydrophobicContact CB-CD1 4.35Å; F403-I409 HydrophobicContact CD1-CD1 3.64Å; F403-I409 HydrophobicContact CD2-CD1 3.93Å; F403-I409 HydrophobicContact CE1-CD1 3.82Å; F403-I409 HydrophobicContact CE2-CD1 4.1Å; F403-I409 HydrophobicContact CG-CD1 3.7Å; F403-I409 HydrophobicContact CZ-CD1 4.05Å; F403-I442 HydrophobicContact CD1-CG2 3.99Å; F403-I442 HydrophobicContact CE1-CB 4.07Å; F403-I442 HydrophobicContact CE1-CG2 3.66Å; F403-Y681 HydrophobicContact CE2-CE1 4.2Å; F403-Y681 AromaticContact CZ-CE1 3.83Å; F403-Y681 HydrophobicContact CZ-CE1 3.83Å; F403-Y681 AromaticContact CZ-CZ 3.99Å; F403-Y681 VanDerWaalsContact CZ-OH 3.29Å; F403-Y681 WeakPolarHBondContact CZ-OH 3.49Å
404	T	88.8	Confident	89.4	Confident	75 Å²	75	39.5 Å²	39.5	46%	0.46	23%	0.233	S	C	.	.			trans	-105.4	160.5	176.7	65.6	0	0	0	0	111.3	T385 G406 D407	T385-T404 HydrophobicContact CG2-CG2 4.33Å; T404-G406 PolarHBondContact O-N 2.59Å; T404-D407 PolarHBondContact N-OD2 3.2Å; T404-D407 WeakPolarHBondContact O-CB 3.03Å; T404-D407 PolarHBondContact O-N 2.83Å; T404-D407 VanDerWaalsContact O-N 3.12Å; T404-D407 PolarHBondContact OG1-OD1 2.77Å; T404-D407 PolarHBondContact OG1-OD2 3.25Å; T404-D407 VanDerWaalsContact OG1-OD2 3.04Å
405	K	85.5	Confident	89.1	Confident	62 Å²	62	43.4 Å²	43.4	27%	0.27	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	122.6	174.9	-178.9	-175.3	-175.4	-172.5	0	110.3	T385 E849 L850	T385-K405 PolarHBondContact OG1-N 2.98Å; K405-E849 PolarHBondContact NZ-O 2.92Å; K405-L850 PolarHBondContact NZ-O 2.82Å; K405-L850 VanDerWaalsContact NZ-O 3.12Å
406	G	84.8	Confident	89.1	Confident	38 Å²	38	40.2 Å²	40.2	39%	0.392	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	106.6	-18.7	-177.5	0	0	0	0	0	114.2	A382 T404	A382-G406 PolarHBondContact O-N 3.39Å; T404-G406 PolarHBondContact O-N 2.59Å
407	D	89.9	Confident	89	Confident	36 Å²	36	42.2 Å²	42.2	19%	0.193	23%	0.231	C	C	.	.			trans	-64.2	145.2	179.8	-69.6	-16.1	0	0	0	111.7	R381 A382 F403 T404 R424	R381-D407 WeakPolarHBondContact CA-O 3.26Å; A382-D407 PolarHBondContact N-O 2.86Å; F403-D407 HydrophobicContact CB-CB 4.21Å; T404-D407 PolarHBondContact N-OD2 3.2Å; T404-D407 WeakPolarHBondContact O-CB 3.03Å; T404-D407 PolarHBondContact O-N 2.83Å; T404-D407 VanDerWaalsContact O-N 3.12Å; T404-D407 PolarHBondContact OG1-OD1 2.77Å; T404-D407 PolarHBondContact OG1-OD2 3.25Å; T404-D407 VanDerWaalsContact OG1-OD2 3.04Å; D407-R424 HydrophobicContact CB-CG 4.25Å
408	I	91.7	Very high	88.9	Confident	18 Å²	18	38.9 Å²	38.9	9%	0.092	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	125.5	176.9	-51.8	-61.3	0	0	0	109.3	L380 R381 S425 V684 W885	L380-I408 CarbonylContact O-C 3.46Å; L380-I408 WeakPolarHBondContact O-CA 3.49Å; R381-I408 HydrophobicContact CB-CD1 4Å; R381-I408 HydrophobicContact CG-CD1 4Å; I408-S425 PolarHBondContact O-N 3.23Å; I408-V684 HydrophobicContact CD1-CG2 4.31Å; I408-V684 HydrophobicContact CG2-CG2 4.41Å; I408-W885 HydrophobicContact CD1-CB 4.01Å; I408-W885 HydrophobicContact CD1-CD2 4.38Å; I408-W885 HydrophobicContact CD1-CG 3.9Å; I408-W885 HydrophobicContact CG1-CD2 4.33Å; I408-W885 HydrophobicContact CG1-CG 3.97Å; I408-W885 HydrophobicContact CG2-CD2 4.05Å; I408-W885 HydrophobicContact CG2-CE3 4.38Å; I408-W885 HydrophobicContact CG2-CH2 4.29Å; I408-W885 HydrophobicContact CG2-CZ2 3.96Å; I408-W885 HydrophobicContact CG2-CZ3 4.49Å
409	I	93.8	Very high	89.1	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	128.3	-175	-56.4	167.5	0	0	0	109.5	L380 A382 F403 V411 A422 Y423 I442 Y681	L380-I409 PolarHBondContact N-O 3.03Å; L380-I409 PolarHBondContact O-N 3.31Å; A382-I409 HydrophobicContact CB-CD1 3.96Å; F403-I409 HydrophobicContact CB-CD1 4.35Å; F403-I409 HydrophobicContact CD1-CD1 3.64Å; F403-I409 HydrophobicContact CD2-CD1 3.93Å; F403-I409 HydrophobicContact CE1-CD1 3.82Å; F403-I409 HydrophobicContact CE2-CD1 4.1Å; F403-I409 HydrophobicContact CG-CD1 3.7Å; F403-I409 HydrophobicContact CZ-CD1 4.05Å; I409-V411 HydrophobicContact CG2-CG2 4.42Å; I409-A422 HydrophobicContact CG2-CB 3.38Å; I409-Y423 CarbonylContact C-O 3.59Å; I409-Y423 WeakPolarHBondContact CA-O 3.4Å; I409-I442 HydrophobicContact CG2-CD1 3.91Å; I409-Y681 HydrophobicContact CD1-CD1 4.29Å; I409-Y681 HydrophobicContact CD1-CE1 3.73Å
410	H	93	Very high	89.1	Confident	18 Å²	18	32.3 Å²	32.3	8%	0.083	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	96.7	-177.9	-62.9	-106.1	0	0	0	108.8	I377 H379 T412 A422 Y423 S425 W885	I377-H410 HydrophobicContact CG2-CB 4.14Å; H379-H410 AromaticContact CE1-CE1 3.58Å; H379-H410 AromaticContact CE1-ND1 3.14Å; H379-H410 PolarHBondContact CE1-ND1 3.43Å; H379-H410 AromaticContact ND1-CE1 3.18Å; H379-H410 PolarHBondContact ND1-CE1 3.4Å; H379-H410 AromaticContact ND1-CG 3.71Å; H379-H410 AromaticContact ND1-ND1 2.85Å; H379-H410 PolarHBondContact ND1-ND1 2.95Å; H410-T412 PolarHBondContact O-N 3.23Å; H410-A422 CarbonylContact O-C 3.54Å; H410-A422 WeakPolarHBondContact O-CA 3.46Å; H410-A422 WeakPolarHBondContact O-CB 3.48Å; H410-Y423 PolarHBondContact N-O 2.86Å; H410-Y423 PolarHBondContact O-N 2.89Å; H410-S425 PolarHBondContact CD2-OG 2.67Å; H410-S425 VanDerWaalsContact CD2-OG 3.25Å; H410-S425 PolarHBondContact NE2-OG 3.25Å; H410-W885 AromaticContact CE1-CH2 3.84Å; H410-W885 AromaticContact CE1-CZ2 3.83Å
411	V	92.3	Very high	89.1	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	118.7	-179.1	-176.8	0	0	0	0	109.3	I377 I378 L380 I409 R414 W420 A422 I442	I377-V411 WeakPolarHBondContact CA-O 3.36Å; I378-V411 HydrophobicContact CB-CB 4.38Å; I378-V411 PolarHBondContact N-O 2.83Å; I378-V411 PolarHBondContact O-N 2.75Å; L380-V411 HydrophobicContact CD1-CG2 3.63Å; L380-V411 HydrophobicContact CG-CG2 4.16Å; I409-V411 HydrophobicContact CG2-CG2 4.42Å; V411-R414 HydrophobicContact CG1-CG 3.66Å; V411-W420 HydrophobicContact CB-CE3 4.47Å; V411-W420 HydrophobicContact CG1-CB 4.1Å; V411-W420 HydrophobicContact CG1-CD2 4.21Å; V411-W420 HydrophobicContact CG1-CE3 3.76Å; V411-W420 HydrophobicContact CG1-CG 4.4Å; V411-W420 HydrophobicContact CG1-CZ3 4.48Å; V411-W420 HydrophobicContact CG2-CE3 3.98Å; V411-W420 HydrophobicContact CG2-CZ3 4.49Å; V411-A422 HydrophobicContact CG2-CB 4.22Å; V411-I442 HydrophobicContact CG2-CD1 4.17Å
412	T	89.5	Confident	89.1	Confident	27 Å²	27	31.8 Å²	31.8	17%	0.166	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	-27.4	-179.1	61.1	0	0	0	0	112.6	N315 I377 H410 Q421 Y423	N315-T412 PolarHBondContact ND2-OG1 3.25Å; I377-T412 HydrophobicContact CD1-CG2 4.48Å; I377-T412 HydrophobicContact CG1-CG2 4.28Å; H410-T412 PolarHBondContact O-N 3.23Å; T412-Q421 PolarHBondContact N-O 3.35Å; T412-Q421 PolarHBondContact OG1-O 2.97Å; T412-Y423 HydrophobicContact CG2-CD2 3.73Å; T412-Y423 HydrophobicContact CG2-CE2 3.81Å
413	G	85.7	Confident	89.2	Confident	11 Å²	11	32.1 Å²	32.1	11%	0.113	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	126.9	-179.2	0	0	0	0	0	112	W420 Q421	G413-W420 WeakPolarHBondContact O-CA 3.5Å; G413-Q421 PolarHBondContact N-O 2.8Å; G413-Q421 PolarHBondContact O-N 3.35Å
414	R	86.9	Confident	89.2	Confident	44 Å²	44	35 Å²	35	17%	0.166	19%	0.186	C	C	.	.			trans	-124.8	12.6	-175.9	-65.2	172.8	-84.4	166.5	-15.4	113.4	K375 G376 I378 V411 D416 W420	K375-R414 PolarHBondContact O-NH2 2.84Å; G376-R414 PolarHBondContact O-NH2 3.45Å; I378-R414 VanDerWaalsContact CD1-CZ 3.44Å; I378-R414 VanDerWaalsContact CD1-NH1 3.3Å; V411-R414 HydrophobicContact CG1-CG 3.66Å; R414-D416 VanDerWaalsContact C-N 3.34Å; R414-D416 PolarHBondContact O-N 3.24Å; R414-W420 HydrophobicContact CG-CD2 4.26Å
415	K	81.8	Confident	89.2	Confident	92 Å²	92	33.2 Å²	33.2	40%	0.4	18%	0.176	S	C	.	.	S	Bend	trans	-57.2	-46.6	-175.1	-69.8	-172	176.9	-171.5	0	112.5	E327	E327-K415 IonicContact OE2-NZ 3.27Å
416	D	84.3	Confident	88.9	Confident	32 Å²	32	31.8 Å²	31.8	17%	0.171	17%	0.172	C	C	.	.	S	Bend	trans	-83.2	123.2	174.8	176.4	-6.6	0	0	0	109.3	R312 R414 N418 W419 W420	R312-D416 IonicContact CZ-OD2 3.22Å; R312-D416 IonicContact NH1-OD2 2.84Å; R312-D416 IonicContact NH2-OD2 3.8Å; R312-D416 PolarHBondContact NH2-OD2 3.1Å; R414-D416 VanDerWaalsContact C-N 3.34Å; R414-D416 PolarHBondContact O-N 3.24Å; D416-N418 PolarHBondContact O-N 3Å; D416-N418 WeakPolarHBondContact OD1-CB 3.29Å; D416-N418 PolarHBondContact OD1-N 2.78Å; D416-W419 WeakPolarHBondContact CB-O 3.47Å; D416-W419 PolarHBondContact OD1-N 3.39Å; D416-W419 WeakPolarHBondContact OD2-CB 3.48Å; D416-W420 PolarHBondContact O-NE1 2.93Å
417	P	82.2	Confident	88.1	Confident	86 Å²	86	37.8 Å²	37.8	56%	0.558	19%	0.19	S	C	*	.	S	Bend	trans	-65.3	-19.5	179.3	27.6	-36.3	0	0	0	113.8	S444	P417-S444 WeakPolarHBondContact O-CB 3.43Å; P417-S444 PolarHBondContact O-OG 3.46Å
418	N	86.8	Confident	87	Confident	59 Å²	59	44.9 Å²	44.9	32%	0.316	22%	0.222	S	C	.	.	S	Bend	trans	-99.7	-39.5	-178.2	-63.3	-37.5	0	0	0	113	D416 P443 S444 Y447	D416-N418 PolarHBondContact O-N 3Å; D416-N418 WeakPolarHBondContact OD1-CB 3.29Å; D416-N418 PolarHBondContact OD1-N 2.78Å; N418-P443 CarbonylContact O-C 3.54Å; N418-P443 WeakPolarHBondContact O-CA 3.45Å; N418-S444 PolarHBondContact O-N 2.94Å; N418-Y447 HydrophobicContact CB-CD1 4.21Å; N418-Y447 HydrophobicContact CB-CD2 4.13Å; N418-Y447 HydrophobicContact CB-CG 3.98Å; N418-Y447 WeakPolarHBondContact O-CD1 3.42Å
419	W	90.7	Very high	85.9	Confident	25 Å²	25	54.1 Å²	54.1	10%	0.095	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	105.9	-176.4	-62.7	105	0	0	0	112.3	R312 Y386 D391 Y393 I394 D416 L441 I442 P443 Y447	R312-W419 PolarHBondContact NH1-O 3.07Å; R312-W419 VanDerWaalsContact NH1-O 3.14Å; Y386-W419 WeakPolarHBondContact OH-CZ3 3.34Å; D391-W419 WeakPolarHBondContact OD2-CH2 3.46Å; Y393-W419 WeakPolarHBondContact O-CZ2 3.41Å; I394-W419 HydrophobicContact CB-CH2 3.86Å; I394-W419 HydrophobicContact CB-CZ2 4.13Å; I394-W419 HydrophobicContact CB-CZ3 4.43Å; I394-W419 HydrophobicContact CG1-CH2 4.26Å; I394-W419 HydrophobicContact CG1-CZ3 4.38Å; D416-W419 WeakPolarHBondContact CB-O 3.47Å; D416-W419 PolarHBondContact OD1-N 3.39Å; D416-W419 WeakPolarHBondContact OD2-CB 3.48Å; W419-L441 HydrophobicContact CB-CD2 4.35Å; W419-L441 HydrophobicContact CE3-CB 4.37Å; W419-I442 CarbonylContact C-O 3.54Å; W419-I442 WeakPolarHBondContact CA-O 3.46Å; W419-P443 HydrophobicContact CZ3-CB 4.31Å; W419-Y447 AromaticContact CE2-CE1 3.97Å; W419-Y447 HydrophobicContact CH2-CE1 4.23Å; W419-Y447 AromaticContact CZ2-CE1 3.76Å; W419-Y447 HydrophobicContact CZ2-CE1 3.76Å
420	W	92.3	Very high	85.2	Confident	12 Å²	12	55.9 Å²	55.9	5%	0.045	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	147.5	178.8	-67	-0.8	0	0	0	111.2	L380 V411 G413 R414 D416 L441 I442 S444 P445 V661	L380-W420 HydrophobicContact CD1-CE3 4.42Å; L380-W420 HydrophobicContact CD1-CZ3 4.04Å; V411-W420 HydrophobicContact CB-CE3 4.47Å; V411-W420 HydrophobicContact CG1-CB 4.1Å; V411-W420 HydrophobicContact CG1-CD2 4.21Å; V411-W420 HydrophobicContact CG1-CE3 3.76Å; V411-W420 HydrophobicContact CG1-CG 4.4Å; V411-W420 HydrophobicContact CG1-CZ3 4.48Å; V411-W420 HydrophobicContact CG2-CE3 3.98Å; V411-W420 HydrophobicContact CG2-CZ3 4.49Å; G413-W420 WeakPolarHBondContact O-CA 3.5Å; R414-W420 HydrophobicContact CG-CD2 4.26Å; D416-W420 PolarHBondContact O-NE1 2.93Å; W420-L441 WeakPolarHBondContact O-CA 3.34Å; W420-I442 HydrophobicContact CB-CD1 4.4Å; W420-I442 HydrophobicContact CB-CG1 3.96Å; W420-I442 PolarHBondContact N-O 3.33Å; W420-I442 PolarHBondContact O-N 3.44Å; W420-S444 VanDerWaalsContact CE2-CB 3.48Å; W420-P445 HydrophobicContact CE3-CG 4.46Å; W420-P445 HydrophobicContact CH2-CG 3.58Å; W420-P445 HydrophobicContact CZ2-CG 4.37Å; W420-P445 HydrophobicContact CZ3-CG 3.63Å; W420-V661 HydrophobicContact CH2-CG1 3.64Å; W420-V661 HydrophobicContact CZ3-CG1 3.92Å
421	Q	93	Very high	84.6	Confident	6 Å²	6	59.6 Å²	59.6	3%	0.028	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	125.2	173.7	-60	-170.7	31.1	0	0	109.7	I313 N315 T412 G413 A439 G440 L441	I313-Q421 PolarHBondContact O-NE2 3.47Å; N315-Q421 VanDerWaalsContact CG-OE1 3.31Å; N315-Q421 PolarHBondContact OD1-OE1 3.08Å; T412-Q421 PolarHBondContact N-O 3.35Å; T412-Q421 PolarHBondContact OG1-O 2.97Å; G413-Q421 PolarHBondContact N-O 2.8Å; G413-Q421 PolarHBondContact O-N 3.35Å; Q421-A439 HydrophobicContact CB-CB 3.99Å; Q421-G440 CarbonylContact C-O 3.41Å; Q421-G440 WeakPolarHBondContact CA-O 3.27Å; Q421-L441 HydrophobicContact CG-CD2 3.97Å
422	A	94	Very high	84.1	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	165.9	-175.4	0	0	0	0	0	113	L401 I409 H410 V411 G440 I442	L401-A422 HydrophobicContact CD2-CB 4.41Å; I409-A422 HydrophobicContact CG2-CB 3.38Å; H410-A422 CarbonylContact O-C 3.54Å; H410-A422 WeakPolarHBondContact O-CA 3.46Å; H410-A422 WeakPolarHBondContact O-CB 3.48Å; V411-A422 HydrophobicContact CG2-CB 4.22Å; A422-G440 PolarHBondContact N-O 3.22Å; A422-G440 PolarHBondContact O-N 3.02Å; A422-I442 HydrophobicContact CB-CD1 4.03Å; A422-I442 HydrophobicContact CB-CG1 4.03Å; A422-I442 HydrophobicContact CB-CG2 4.47Å
423	Y	93.8	Very high	83.9	Confident	30 Å²	30	60.1 Å²	60.1	12%	0.118	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	149.7	168.2	-62.1	-89.9	0	0	0	109.7	N315 I409 H410 T412 L431 T437 A439	N315-Y423 PolarHBondContact O-OH 3.19Å; I409-Y423 CarbonylContact C-O 3.59Å; I409-Y423 WeakPolarHBondContact CA-O 3.4Å; H410-Y423 PolarHBondContact N-O 2.86Å; H410-Y423 PolarHBondContact O-N 2.89Å; T412-Y423 HydrophobicContact CG2-CD2 3.73Å; T412-Y423 HydrophobicContact CG2-CE2 3.81Å; Y423-L431 HydrophobicContact CD1-CD2 4.16Å; Y423-L431 HydrophobicContact CD2-CD2 4.02Å; Y423-L431 HydrophobicContact CG-CD2 3.66Å; Y423-L431 HydrophobicContact CG-CG 4.23Å; Y423-T437 WeakPolarHBondContact CE1-O 3.5Å; Y423-T437 PolarHBondContact OH-O 3.05Å; Y423-A439 HydrophobicContact CD2-CB 4.37Å; Y423-A439 HydrophobicContact CE1-CB 4.25Å; Y423-A439 HydrophobicContact CE2-CB 3.78Å; Y423-A439 PolarHBondContact OH-N 3.2Å
424	R	93.2	Very high	83.7	Confident	64 Å²	64	61.1 Å²	61.1	24%	0.242	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	141.5	172.6	-168.1	179.2	71.9	-165.2	3.9	109	L401 G402 D407 D426 L431 S432	L401-R424 HydrophobicContact CD1-CB 4.25Å; L401-R424 HydrophobicContact CD2-CB 4.21Å; G402-R424 PolarHBondContact O-NH1 3.24Å; D407-R424 HydrophobicContact CB-CG 4.25Å; R424-D426 IonicContact CZ-OD1 3.39Å; R424-D426 VanDerWaalsContact CZ-OD1 3.32Å; R424-D426 IonicContact CZ-OD2 2.73Å; R424-D426 IonicContact NE-OD1 3.14Å; R424-D426 PolarHBondContact NE-OD1 3.4Å; R424-D426 IonicContact NE-OD2 3.14Å; R424-D426 IonicContact NH2-OD1 2.67Å; R424-D426 PolarHBondContact NH2-OD1 3.13Å; R424-D426 VanDerWaalsContact NH2-OD1 3.11Å; R424-D426 IonicContact NH2-OD2 3.14Å; R424-D426 PolarHBondContact NH2-OD2 3.29Å; R424-L431 CarbonylContact O-C 3.58Å; R424-L431 WeakPolarHBondContact O-CA 3.24Å; R424-S432 PolarHBondContact N-O 3.16Å; R424-S432 PolarHBondContact O-N 2.96Å; R424-S432 PolarHBondContact O-OG 2.81Å
425	S	88.1	Confident	83.5	Confident	37 Å²	37	61.2 Å²	61.2	26%	0.259	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	119.5	169.1	-88.7	0	0	0	0	109.9	I408 H410	I408-S425 PolarHBondContact O-N 3.23Å; H410-S425 PolarHBondContact CD2-OG 2.67Å; H410-S425 VanDerWaalsContact CD2-OG 3.25Å; H410-S425 PolarHBondContact NE2-OG 3.25Å
426	D	79.1	Confident	83.4	Confident	32 Å²	32	60 Å²	60	17%	0.171	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	130.4	172.3	-64.5	-28.5	0	0	0	108.9	R424 E428 R429 G430 S432	R424-D426 IonicContact CZ-OD1 3.39Å; R424-D426 VanDerWaalsContact CZ-OD1 3.32Å; R424-D426 IonicContact CZ-OD2 2.73Å; R424-D426 IonicContact NE-OD1 3.14Å; R424-D426 PolarHBondContact NE-OD1 3.4Å; R424-D426 IonicContact NE-OD2 3.14Å; R424-D426 IonicContact NH2-OD1 2.67Å; R424-D426 PolarHBondContact NH2-OD1 3.13Å; R424-D426 VanDerWaalsContact NH2-OD1 3.11Å; R424-D426 IonicContact NH2-OD2 3.14Å; R424-D426 PolarHBondContact NH2-OD2 3.29Å; D426-E428 PolarHBondContact O-N 3.41Å; D426-E428 VanDerWaalsContact O-N 3.13Å; D426-R429 HydrophobicContact CB-CB 4.16Å; D426-R429 PolarHBondContact O-N 3.26Å; D426-G430 PolarHBondContact N-O 2.71Å; D426-G430 WeakPolarHBondContact O-CA 3.29Å; D426-G430 PolarHBondContact O-N 2.95Å; D426-S432 WeakPolarHBondContact OD2-CB 3.19Å; D426-S432 PolarHBondContact OD2-OG 2.98Å
427	E	68.1	Low	83.4	Confident	164 Å²	164	62.6 Å²	62.6	77%	0.766	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-31.4	-178.9	-67.5	-166	146.1	0	0	112.7	K878	E427-K878 IonicContact OE1-NZ 2.8Å
428	E	66.5	Low	83.8	Confident	186 Å²	186	58.9 Å²	58.9	87%	0.869	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-36.3	-176.5	-62.9	-178	171.9	0	0	114.1	D426	D426-E428 PolarHBondContact O-N 3.41Å; D426-E428 VanDerWaalsContact O-N 3.13Å
429	R	68.2	Low	84.1	Confident	211 Å²	211	56.1 Å²	56.1	80%	0.796	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	-6.9	-171.8	-61.3	-174.5	-177.3	-153.5	0.7	113.4	D426	D426-R429 HydrophobicContact CB-CB 4.16Å; D426-R429 PolarHBondContact O-N 3.26Å
430	G	79.3	Confident	84.2	Confident	38 Å²	38	55 Å²	55	39%	0.392	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	72.5	-138.5	-170.7	0	0	0	0	0	111.1	D426 S432	D426-G430 PolarHBondContact N-O 2.71Å; D426-G430 WeakPolarHBondContact O-CA 3.29Å; D426-G430 PolarHBondContact O-N 2.95Å; G430-S432 PolarHBondContact O-N 3.11Å
431	L	81.3	Confident	84.3	Confident	96 Å²	96	54.8 Å²	54.8	50%	0.503	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	114.1	-177.8	-138.1	82.2	0	0	0	110.4	Y423 R424	Y423-L431 HydrophobicContact CD1-CD2 4.16Å; Y423-L431 HydrophobicContact CD2-CD2 4.02Å; Y423-L431 HydrophobicContact CG-CD2 3.66Å; Y423-L431 HydrophobicContact CG-CG 4.23Å; R424-L431 CarbonylContact O-C 3.58Å; R424-L431 WeakPolarHBondContact O-CA 3.24Å
432	S	82.3	Confident	84.3	Confident	23 Å²	23	54.5 Å²	54.5	16%	0.161	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	126.6	177.2	56.1	0	0	0	0	111.5	R424 D426 G430	R424-S432 PolarHBondContact N-O 3.16Å; R424-S432 PolarHBondContact O-N 2.96Å; R424-S432 PolarHBondContact O-OG 2.81Å; D426-S432 WeakPolarHBondContact OD2-CB 3.19Å; D426-S432 PolarHBondContact OD2-OG 2.98Å; G430-S432 PolarHBondContact O-N 3.11Å
433	G	83.5	Confident	84.3	Confident	15 Å²	15	54.5 Å²	54.5	16%	0.155	30%	0.297	C	S	.	.			trans	-87.9	-176.4	169.6	0	0	0	0	0	112.2	L438	G433-L438 CarbonylContact C-O 3.52Å; G433-L438 WeakPolarHBondContact CA-O 3.13Å
434	A	82	Confident	84.1	Confident	32 Å²	32	53.1 Å²	53.1	26%	0.264	29%	0.291	S	S	.	.	S	Bend	trans	-68.7	-44.7	171.1	0	0	0	0	0	111.1	L399 L438	L399-A434 WeakPolarHBondContact O-CB 3.37Å; A434-L438 PolarHBondContact N-O 3.36Å; A434-L438 VanDerWaalsContact N-O 3.11Å
435	I	82.4	Confident	83.8	Confident	46 Å²	46	50.1 Å²	50.1	24%	0.236	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-139.3	109	-179	-58.1	170.4	0	0	0	108.8	F296 E398 T437 L438	F296-I435 HydrophobicContact CD2-CG2 4.01Å; F296-I435 HydrophobicContact CE1-CG2 4.3Å; F296-I435 HydrophobicContact CE2-CG2 3.33Å; F296-I435 HydrophobicContact CZ-CG2 3.5Å; F296-I435 VanDerWaalsContact CZ-CG2 3.5Å; E398-I435 HydrophobicContact CB-CD1 4.03Å; E398-I435 WeakPolarHBondContact O-CD1 3.43Å; I435-T437 PolarHBondContact O-N 3.15Å; I435-T437 VanDerWaalsContact O-N 3.14Å; I435-L438 VanDerWaalsContact O-CB 3.31Å; I435-L438 WeakPolarHBondContact O-CB 3.3Å; I435-L438 PolarHBondContact O-N 3.34Å
436	G	79.8	Confident	83.5	Confident	65 Å²	65	50.2 Å²	50.2	67%	0.67	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	-118.6	-179.6	0	0	0	0	0	111.8
437	T	84.9	Confident	83.8	Confident	87 Å²	87	50.4 Å²	50.4	53%	0.534	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-3.3	179.8	60	0	0	0	0	114	G316 Y423 I435	G316-T437 PolarHBondContact O-OG1 3.13Å; Y423-T437 WeakPolarHBondContact CE1-O 3.5Å; Y423-T437 PolarHBondContact OH-O 3.05Å; I435-T437 PolarHBondContact O-N 3.15Å; I435-T437 VanDerWaalsContact O-N 3.14Å
438	L	90.6	Very high	84.8	Confident	9 Å²	9	43.9 Å²	43.9	5%	0.047	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-76.5	133.6	-178.5	-62	-177.4	0	0	0	111.4	F296 V314 L399 G433 A434 I435	F296-L438 HydrophobicContact CB-CD1 3.7Å; F296-L438 HydrophobicContact CB-CD2 4.32Å; F296-L438 HydrophobicContact CB-CG 4.22Å; F296-L438 HydrophobicContact CD2-CD1 4.23Å; F296-L438 HydrophobicContact CG-CD1 3.98Å; V314-L438 HydrophobicContact CG1-CB 4.05Å; V314-L438 HydrophobicContact CG1-CD2 4.34Å; L399-L438 HydrophobicContact CD2-CD1 4.48Å; G433-L438 CarbonylContact C-O 3.52Å; G433-L438 WeakPolarHBondContact CA-O 3.13Å; A434-L438 PolarHBondContact N-O 3.36Å; A434-L438 VanDerWaalsContact N-O 3.11Å; I435-L438 VanDerWaalsContact O-CB 3.31Å; I435-L438 WeakPolarHBondContact O-CB 3.3Å; I435-L438 PolarHBondContact O-N 3.34Å
439	A	92.6	Very high	85.4	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.008	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-59.9	144.2	169.2	0	0	0	0	0	110.4	V314 N315 Q421 Y423	V314-A439 HydrophobicContact CG1-CB 4.44Å; V314-A439 VanDerWaalsContact CG1-O 3.25Å; V314-A439 WeakPolarHBondContact CG1-O 3.48Å; N315-A439 HydrophobicContact CB-CB 3.88Å; N315-A439 PolarHBondContact O-N 2.84Å; Q421-A439 HydrophobicContact CB-CB 3.99Å; Y423-A439 HydrophobicContact CD2-CB 4.37Å; Y423-A439 HydrophobicContact CE1-CB 4.25Å; Y423-A439 HydrophobicContact CE2-CB 3.78Å; Y423-A439 PolarHBondContact OH-N 3.2Å
440	G	93.6	Very high	85.8	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	164.2	174	0	0	0	0	0	112.8	L399 Q421 A422	L399-G440 CarbonylContact O-C 3.59Å; L399-G440 WeakPolarHBondContact O-CA 3.43Å; Q421-G440 CarbonylContact C-O 3.41Å; Q421-G440 WeakPolarHBondContact CA-O 3.27Å; A422-G440 PolarHBondContact N-O 3.22Å; A422-G440 PolarHBondContact O-N 3.02Å
441	L	94.4	Very high	86	Confident	9 Å²	9	29.1 Å²	29.1	5%	0.047	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	129	-179.3	-62.5	177	0	0	0	110.7	I394 L399 L401 W419 W420 Q421	I394-L441 HydrophobicContact CD1-CB 4.42Å; L399-L441 HydrophobicContact CB-CD1 4.03Å; L399-L441 HydrophobicContact CB-CG 4.08Å; L399-L441 HydrophobicContact CD1-CD1 4.46Å; L399-L441 PolarHBondContact O-N 3.28Å; L401-L441 PolarHBondContact N-O 3.47Å; L401-L441 VanDerWaalsContact N-O 3.1Å; W419-L441 HydrophobicContact CB-CD2 4.35Å; W419-L441 HydrophobicContact CE3-CB 4.37Å; W420-L441 WeakPolarHBondContact O-CA 3.34Å; Q421-L441 HydrophobicContact CG-CD2 3.97Å
442	I	93.5	Very high	85.7	Confident	0 Å²	0	25 Å²	25	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	150.9	172.1	61.6	153.4	0	0	0	109.8	L401 F403 I409 V411 W419 W420 A422 Y681	L401-I442 HydrophobicContact CB-CG2 3.9Å; L401-I442 HydrophobicContact CD2-CG2 4.05Å; L401-I442 HydrophobicContact CG-CG2 4.37Å; F403-I442 HydrophobicContact CD1-CG2 3.99Å; F403-I442 HydrophobicContact CE1-CB 4.07Å; F403-I442 HydrophobicContact CE1-CG2 3.66Å; I409-I442 HydrophobicContact CG2-CD1 3.91Å; V411-I442 HydrophobicContact CG2-CD1 4.17Å; W419-I442 CarbonylContact C-O 3.54Å; W419-I442 WeakPolarHBondContact CA-O 3.46Å; W420-I442 HydrophobicContact CB-CD1 4.4Å; W420-I442 HydrophobicContact CB-CG1 3.96Å; W420-I442 PolarHBondContact N-O 3.33Å; W420-I442 PolarHBondContact O-N 3.44Å; A422-I442 HydrophobicContact CB-CD1 4.03Å; A422-I442 HydrophobicContact CB-CG1 4.03Å; A422-I442 HydrophobicContact CB-CG2 4.47Å; I442-Y681 HydrophobicContact CD1-CE1 4.44Å
443	P	92.6	Very high	85.3	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	138.8	173.4	28.5	-34.1	0	0	0	110.3	F384 Y386 N418 W419 Y447 Q448 Y681	F384-P443 HydrophobicContact CZ-CG 4.17Å; Y386-P443 HydrophobicContact CD2-CG 4.42Å; Y386-P443 HydrophobicContact CE2-CG 4.47Å; N418-P443 CarbonylContact O-C 3.54Å; N418-P443 WeakPolarHBondContact O-CA 3.45Å; W419-P443 HydrophobicContact CZ3-CB 4.31Å; P443-Y447 HydrophobicContact CB-CD1 3.82Å; P443-Y447 HydrophobicContact CB-CE1 4.5Å; P443-Q448 HydrophobicContact CB-CB 4.26Å; P443-Q448 HydrophobicContact CG-CB 4.4Å; P443-Y681 VanDerWaalsContact O-CE2 3.26Å; P443-Y681 WeakPolarHBondContact O-CE2 3.43Å; P443-Y681 PolarHBondContact O-OH 3.22Å
444	S	89.4	Confident	84.8	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.178	C	C	.	.			trans	-64.8	158.5	174.3	78.6	0	0	0	0	111.2	P417 N418 W420 I446 Y447 Q448	P417-S444 WeakPolarHBondContact O-CB 3.43Å; P417-S444 PolarHBondContact O-OG 3.46Å; N418-S444 PolarHBondContact O-N 2.94Å; W420-S444 VanDerWaalsContact CE2-CB 3.48Å; S444-I446 PolarHBondContact O-N 2.87Å; S444-Y447 PolarHBondContact O-N 3.25Å; S444-Y447 VanDerWaalsContact OG-CB 3.22Å; S444-Y447 WeakPolarHBondContact OG-CB 3.48Å; S444-Y447 PolarHBondContact OG-N 2.65Å; S444-Q448 WeakPolarHBondContact O-CB 3.45Å; S444-Q448 PolarHBondContact O-N 3.35Å
445	P	87.3	Confident	84.2	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-56.7	-37.2	177.7	-21.8	29.3	0	0	0	113.2	W420 R449 V661 W663 L664 T680 Y681	W420-P445 HydrophobicContact CE3-CG 4.46Å; W420-P445 HydrophobicContact CH2-CG 3.58Å; W420-P445 HydrophobicContact CZ2-CG 4.37Å; W420-P445 HydrophobicContact CZ3-CG 3.63Å; P445-R449 WeakPolarHBondContact O-CB 3.43Å; P445-R449 PolarHBondContact O-N 2.89Å; P445-V661 HydrophobicContact CG-CG1 4.32Å; P445-W663 HydrophobicContact CB-CH2 4.3Å; P445-W663 HydrophobicContact CB-CZ2 3.9Å; P445-L664 HydrophobicContact CB-CD1 3.86Å; P445-L664 HydrophobicContact CG-CD1 3.89Å; P445-T680 WeakPolarHBondContact O-CG2 3.45Å; P445-Y681 HydrophobicContact CB-CD2 3.98Å; P445-Y681 HydrophobicContact CG-CD2 3.72Å; P445-Y681 HydrophobicContact CG-CE2 4.35Å
446	I	81.9	Confident	83.6	Confident	39 Å²	39	36 Å²	36	20%	0.2	19%	0.189	C	C	.	.	H	α-helix	trans	-70.7	-47	178.5	-59.1	157.3	0	0	0	109.8	S444 Q448 R449 N450 L654 W663	S444-I446 PolarHBondContact O-N 2.87Å; I446-Q448 PolarHBondContact O-N 3.32Å; I446-R449 PolarHBondContact O-N 3.1Å; I446-N450 PolarHBondContact O-N 2.65Å; I446-L654 HydrophobicContact CD1-CD2 3.23Å; I446-L654 HydrophobicContact CG1-CD2 4.18Å; I446-W663 HydrophobicContact CG1-CZ2 4.01Å
447	Y	86.7	Confident	83	Confident	36 Å²	36	39.2 Å²	39.2	14%	0.141	18%	0.184	C	C	.	.	H	α-helix	trans	-63.9	-43.4	-179.7	-175.6	-124	0	0	0	111.5	Y393 N418 W419 P443 S444 R449 N450 R451	Y393-Y447 WeakPolarHBondContact CB-OH 3.47Å; N418-Y447 HydrophobicContact CB-CD1 4.21Å; N418-Y447 HydrophobicContact CB-CD2 4.13Å; N418-Y447 HydrophobicContact CB-CG 3.98Å; N418-Y447 WeakPolarHBondContact O-CD1 3.42Å; W419-Y447 AromaticContact CE2-CE1 3.97Å; W419-Y447 HydrophobicContact CH2-CE1 4.23Å; W419-Y447 AromaticContact CZ2-CE1 3.76Å; W419-Y447 HydrophobicContact CZ2-CE1 3.76Å; P443-Y447 HydrophobicContact CB-CD1 3.82Å; P443-Y447 HydrophobicContact CB-CE1 4.5Å; S444-Y447 PolarHBondContact O-N 3.25Å; S444-Y447 VanDerWaalsContact OG-CB 3.22Å; S444-Y447 WeakPolarHBondContact OG-CB 3.48Å; S444-Y447 PolarHBondContact OG-N 2.65Å; Y447-R449 PolarHBondContact O-N 3.08Å; Y447-N450 PolarHBondContact O-N 2.87Å; Y447-R451 HydrophobicContact CE1-CG 4.47Å; Y447-R451 HydrophobicContact CE2-CG 4.36Å; Y447-R451 VanDerWaalsContact O-CG 3.29Å; Y447-R451 WeakPolarHBondContact O-CG 3.38Å; Y447-R451 PolarHBondContact O-N 3.05Å
448	Q	88.4	Confident	82.3	Confident	28 Å²	28	40.2 Å²	40.2	13%	0.131	18%	0.179	C	C	.	.	H	α-helix	trans	-62.4	-41.9	175.3	-179.3	61.7	8.1	0	0	112.1	F384 P443 S444 I446 N450 R451 A452 T680	F384-Q448 HydrophobicContact CD1-CG 4.35Å; F384-Q448 HydrophobicContact CE1-CG 3.71Å; F384-Q448 VanDerWaalsContact CE2-CD 3.43Å; F384-Q448 HydrophobicContact CE2-CG 4Å; F384-Q448 HydrophobicContact CZ-CB 4.35Å; F384-Q448 VanDerWaalsContact CZ-CD 3.46Å; F384-Q448 HydrophobicContact CZ-CG 3.49Å; F384-Q448 VanDerWaalsContact CZ-CG 3.49Å; P443-Q448 HydrophobicContact CB-CB 4.26Å; P443-Q448 HydrophobicContact CG-CB 4.4Å; S444-Q448 WeakPolarHBondContact O-CB 3.45Å; S444-Q448 PolarHBondContact O-N 3.35Å; I446-Q448 PolarHBondContact O-N 3.32Å; Q448-N450 VanDerWaalsContact C-N 3.35Å; Q448-N450 PolarHBondContact O-N 2.91Å; Q448-R451 PolarHBondContact O-N 3.43Å; Q448-A452 WeakPolarHBondContact O-CB 3.31Å; Q448-A452 PolarHBondContact O-N 2.92Å; Q448-T680 HydrophobicContact CB-CG2 3.83Å; Q448-T680 HydrophobicContact CG-CG2 3.65Å
449	R	79.7	Confident	81	Confident	26 Å²	26	43 Å²	43	10%	0.098	19%	0.189	C	C	.	.	H	α-helix	trans	-60.2	-45.7	174.7	168.1	167.6	-80.3	169.8	1.8	111.1	P445 I446 Y447 R451 A452 I453 E667 M673 T680	P445-R449 WeakPolarHBondContact O-CB 3.43Å; P445-R449 PolarHBondContact O-N 2.89Å; I446-R449 PolarHBondContact O-N 3.1Å; Y447-R449 PolarHBondContact O-N 3.08Å; R449-R451 VanDerWaalsContact C-N 3.33Å; R449-R451 PolarHBondContact O-N 2.84Å; R449-A452 WeakPolarHBondContact O-CB 3.5Å; R449-A452 PolarHBondContact O-N 3.44Å; R449-I453 HydrophobicContact CG-CD1 3.8Å; R449-I453 HydrophobicContact CG-CG1 4.44Å; R449-I453 WeakPolarHBondContact O-CG1 3.3Å; R449-I453 PolarHBondContact O-N 2.75Å; R449-E667 IonicContact CZ-OE1 2.8Å; R449-E667 IonicContact CZ-OE2 3.65Å; R449-E667 VanDerWaalsContact CZ-OE2 3.26Å; R449-E667 IonicContact NH1-OE2 3.51Å; R449-E667 PolarHBondContact NH1-OE2 3.14Å; R449-E667 IonicContact NH2-OE1 3.43Å; R449-E667 PolarHBondContact NH2-OE1 3.07Å; R449-E667 IonicContact NH2-OE2 3.51Å; R449-E667 PolarHBondContact NH2-OE2 3.39Å; R449-M673 PolarHBondContact NH2-SD 2.85Å; R449-T680 HydrophobicContact CB-CG2 4.06Å
450	N	76.7	Confident	79.5	Confident	43 Å²	43	46.2 Å²	46.2	23%	0.23	21%	0.206	C	C	.	.	H	α-helix	trans	-60.6	-43.3	177.6	-71.9	-17.8	0	0	0	111.5	I446 Y447 Q448 A452 I453 L454	I446-N450 PolarHBondContact O-N 2.65Å; Y447-N450 PolarHBondContact O-N 2.87Å; Q448-N450 VanDerWaalsContact C-N 3.35Å; Q448-N450 PolarHBondContact O-N 2.91Å; N450-A452 PolarHBondContact O-N 3.41Å; N450-I453 PolarHBondContact O-N 3.25Å; N450-L454 WeakPolarHBondContact O-CG 3.45Å; N450-L454 PolarHBondContact O-N 2.66Å
451	R	81.7	Confident	78.3	Confident	56 Å²	56	51.3 Å²	51.3	21%	0.211	24%	0.237	C	C	.	.	H	α-helix	trans	-60.5	-42.8	174	-69	171.9	68.9	163	7.5	112.2	D391 Y447 Q448 R449 L454 R455	D391-R451 IonicContact OD1-CZ 2.62Å; D391-R451 IonicContact OD1-NH1 3.77Å; D391-R451 IonicContact OD1-NH2 3.7Å; D391-R451 PolarHBondContact OD1-NH2 2.87Å; D391-R451 VanDerWaalsContact OD1-NH2 3.11Å; D391-R451 IonicContact OD2-CZ 3.09Å; D391-R451 IonicContact OD2-NH1 3.92Å; D391-R451 PolarHBondContact OD2-NH1 3.29Å; D391-R451 IonicContact OD2-NH2 2.8Å; D391-R451 PolarHBondContact OD2-NH2 2.83Å; Y447-R451 HydrophobicContact CE1-CG 4.47Å; Y447-R451 HydrophobicContact CE2-CG 4.36Å; Y447-R451 VanDerWaalsContact O-CG 3.29Å; Y447-R451 WeakPolarHBondContact O-CG 3.38Å; Y447-R451 PolarHBondContact O-N 3.05Å; Q448-R451 PolarHBondContact O-N 3.43Å; R449-R451 VanDerWaalsContact C-N 3.33Å; R449-R451 PolarHBondContact O-N 2.84Å; R451-L454 PolarHBondContact O-N 2.87Å; R451-R455 WeakPolarHBondContact O-CB 3.3Å; R451-R455 PolarHBondContact O-N 2.81Å
452	A	76.6	Confident	76.7	Confident	8 Å²	8	53.5 Å²	53.5	7%	0.066	25%	0.253	C	S	.	.	H	α-helix	trans	-64.2	-41.5	177.1	0	0	0	0	0	112.4	Q448 R449 N450 R455 L456 S677 L678	Q448-A452 WeakPolarHBondContact O-CB 3.31Å; Q448-A452 PolarHBondContact O-N 2.92Å; R449-A452 WeakPolarHBondContact O-CB 3.5Å; R449-A452 PolarHBondContact O-N 3.44Å; N450-A452 PolarHBondContact O-N 3.41Å; A452-R455 WeakPolarHBondContact O-CB 3.44Å; A452-R455 PolarHBondContact O-N 3.4Å; A452-L456 WeakPolarHBondContact O-CG 3.42Å; A452-L456 PolarHBondContact O-N 3.14Å; A452-S677 VanDerWaalsContact CB-O 3.3Å; A452-S677 WeakPolarHBondContact CB-O 3.34Å; A452-L678 HydrophobicContact CB-CD2 4.09Å
453	I	72.8	Confident	74.4	Confident	49 Å²	49	56.4 Å²	56.4	25%	0.251	28%	0.283	S	S	.	.	H	α-helix	trans	-64.1	-46.3	175.9	-68.6	167.5	0	0	0	110.7	R449 N450 R455 L456 K457 L646 L678	R449-I453 HydrophobicContact CG-CD1 3.8Å; R449-I453 HydrophobicContact CG-CG1 4.44Å; R449-I453 WeakPolarHBondContact O-CG1 3.3Å; R449-I453 PolarHBondContact O-N 2.75Å; N450-I453 PolarHBondContact O-N 3.25Å; I453-R455 VanDerWaalsContact C-N 3.31Å; I453-R455 PolarHBondContact O-N 3.18Å; I453-L456 PolarHBondContact O-N 2.85Å; I453-K457 WeakPolarHBondContact O-CB 3.44Å; I453-K457 PolarHBondContact O-N 2.95Å; I453-L646 HydrophobicContact CG2-CD2 4.2Å; I453-L678 HydrophobicContact CG1-CD2 3.75Å
454	L	73.3	Confident	72.3	Confident	112 Å²	112	59 Å²	59	59%	0.586	30%	0.299	S	S	*	.	H	α-helix	trans	-62.1	-40.6	176.9	-72.5	173.7	0	0	0	111.6	N450 R451 K457 Y458	N450-L454 WeakPolarHBondContact O-CG 3.45Å; N450-L454 PolarHBondContact O-N 2.66Å; R451-L454 PolarHBondContact O-N 2.87Å; L454-K457 PolarHBondContact O-N 3.21Å; L454-Y458 PolarHBondContact O-N 3.06Å
455	R	70.2	Confident	70	Confident	166 Å²	166	67.9 Å²	67.9	63%	0.626	34%	0.341	S	S	*	.	H	α-helix	trans	-56.7	-57.8	172.1	-177.1	173.3	-179.8	165.6	5.7	109.5	R451 A452 I453 K457 Y458 W459	R451-R455 WeakPolarHBondContact O-CB 3.3Å; R451-R455 PolarHBondContact O-N 2.81Å; A452-R455 WeakPolarHBondContact O-CB 3.44Å; A452-R455 PolarHBondContact O-N 3.4Å; I453-R455 VanDerWaalsContact C-N 3.31Å; I453-R455 PolarHBondContact O-N 3.18Å; R455-K457 VanDerWaalsContact C-N 3.27Å; R455-K457 PolarHBondContact O-N 2.9Å; R455-Y458 WeakPolarHBondContact O-CA 3.34Å; R455-Y458 WeakPolarHBondContact O-CB 3.45Å; R455-Y458 PolarHBondContact O-N 3.39Å; R455-W459 PolarHBondContact O-N 2.87Å
456	L	68.4	Low	67.9	Low	21 Å²	21	73.6 Å²	73.6	11%	0.11	37%	0.371	C	S	.	.	H	α-helix	trans	-55	-41.7	-179.7	-72.9	162.4	0	0	0	112.7	A452 I453 Y458 W459 L460 F498 L499 S677 L678	A452-L456 WeakPolarHBondContact O-CG 3.42Å; A452-L456 PolarHBondContact O-N 3.14Å; I453-L456 PolarHBondContact O-N 2.85Å; L456-Y458 VanDerWaalsContact C-N 3.34Å; L456-Y458 PolarHBondContact O-N 2.74Å; L456-W459 PolarHBondContact O-N 2.83Å; L456-L460 WeakPolarHBondContact O-CD1 2.79Å; L456-L460 VanDerWaalsContact O-CG 3.3Å; L456-L460 WeakPolarHBondContact O-CG 3.41Å; L456-L460 PolarHBondContact O-N 3.34Å; L456-F498 HydrophobicContact CD2-CE1 3.63Å; L456-F498 HydrophobicContact CD2-CZ 3.52Å; L456-L499 HydrophobicContact CD1-CD1 4.13Å; L456-L499 HydrophobicContact CD2-CD1 4.35Å; L456-S677 WeakPolarHBondContact CD2-OG 3.31Å; L456-L678 HydrophobicContact CD1-CD1 4.19Å; L456-L678 HydrophobicContact CD1-CD2 3.37Å; L456-L678 HydrophobicContact CD1-CG 3.71Å
457	K	67.5	Low	66.2	Low	133 Å²	133	73 Å²	73	58%	0.578	37%	0.368	S	S	*	.	H	α-helix	trans	-59.8	-44.8	174.6	-173.6	-179.8	178.2	-176.4	0	111.5	I453 L454 R455 L460 T461	I453-K457 WeakPolarHBondContact O-CB 3.44Å; I453-K457 PolarHBondContact O-N 2.95Å; L454-K457 PolarHBondContact O-N 3.21Å; R455-K457 VanDerWaalsContact C-N 3.27Å; R455-K457 PolarHBondContact O-N 2.9Å; K457-L460 PolarHBondContact O-N 3.15Å; K457-T461 PolarHBondContact O-N 3.48Å; K457-T461 PolarHBondContact O-OG1 2.87Å
458	Y	69.5	Low	64	Low	108 Å²	108	77.4 Å²	77.4	42%	0.424	39%	0.39	S	S	.	.	H	α-helix	trans	-63.1	-43.7	177.2	-179.3	-94.5	0	0	0	112.6	L454 R455 L456 L460 T461 S462	L454-Y458 PolarHBondContact O-N 3.06Å; R455-Y458 WeakPolarHBondContact O-CA 3.34Å; R455-Y458 WeakPolarHBondContact O-CB 3.45Å; R455-Y458 PolarHBondContact O-N 3.39Å; L456-Y458 VanDerWaalsContact C-N 3.34Å; L456-Y458 PolarHBondContact O-N 2.74Å; Y458-L460 VanDerWaalsContact C-N 3.33Å; Y458-L460 PolarHBondContact O-N 3.14Å; Y458-T461 WeakPolarHBondContact CA-OG1 3.29Å; Y458-T461 PolarHBondContact O-N 3.49Å; Y458-T461 PolarHBondContact O-OG1 3.27Å; Y458-S462 WeakPolarHBondContact CE1-OG 3.29Å; Y458-S462 WeakPolarHBondContact CE2-OG 3.4Å; Y458-S462 VanDerWaalsContact CZ-OG 3.24Å; Y458-S462 VanDerWaalsContact O-CB 3.27Å; Y458-S462 WeakPolarHBondContact O-CB 3.34Å; Y458-S462 PolarHBondContact O-N 3.31Å; Y458-S462 PolarHBondContact O-OG 3.03Å
459	W	63.7	Low	61.5	Low	67 Å²	67	79.7 Å²	79.7	25%	0.254	40%	0.4	S	S	.	.	H	α-helix	trans	-59.6	-44.4	175.9	-76.5	92.2	0	0	0	111.4	R455 L456 T461 S462 G463 T464 D466 I467	R455-W459 PolarHBondContact O-N 2.87Å; L456-W459 PolarHBondContact O-N 2.83Å; W459-T461 PolarHBondContact O-N 2.98Å; W459-S462 PolarHBondContact O-N 2.92Å; W459-G463 PolarHBondContact O-N 3.44Å; W459-T464 HydrophobicContact CE3-CG2 4.34Å; W459-T464 VanDerWaalsContact CZ3-CB 3.47Å; W459-T464 HydrophobicContact CZ3-CG2 3.95Å; W459-T464 VanDerWaalsContact CZ3-OG1 3.29Å; W459-T464 WeakPolarHBondContact CZ3-OG1 3.23Å; W459-D466 HydrophobicContact CE3-CB 4.2Å; W459-D466 HydrophobicContact CH2-CB 4.26Å; W459-D466 WeakPolarHBondContact CH2-OD2 3.16Å; W459-D466 HydrophobicContact CZ3-CB 3.55Å; W459-D466 WeakPolarHBondContact CZ3-OD2 3.42Å; W459-I467 HydrophobicContact CB-CD1 4.18Å
460	L	61.3	Low	59.4	Low	68 Å²	68	84.8 Å²	84.8	36%	0.356	43%	0.425	S	S	.	.	H	α-helix	trans	-62.2	-39.8	176.7	-73.9	162.9	0	0	0	112.9	L456 K457 Y458 F498 F503	L456-L460 WeakPolarHBondContact O-CD1 2.79Å; L456-L460 VanDerWaalsContact O-CG 3.3Å; L456-L460 WeakPolarHBondContact O-CG 3.41Å; L456-L460 PolarHBondContact O-N 3.34Å; K457-L460 PolarHBondContact O-N 3.15Å; Y458-L460 VanDerWaalsContact C-N 3.33Å; Y458-L460 PolarHBondContact O-N 3.14Å; L460-F498 HydrophobicContact CD1-CD1 3.79Å; L460-F498 HydrophobicContact CD1-CE1 4.11Å; L460-F498 HydrophobicContact CD2-CB 4Å; L460-F498 HydrophobicContact CD2-CD1 3.59Å; L460-F498 HydrophobicContact CD2-CE1 4.25Å; L460-F498 HydrophobicContact CD2-CG 3.95Å; L460-F498 HydrophobicContact CG-CD1 3.93Å; L460-F498 HydrophobicContact CG-CE1 4.19Å; L460-F503 HydrophobicContact CD1-CD2 3.92Å; L460-F503 HydrophobicContact CD1-CE2 3.83Å
461	T	67.9	Low	57.1	Low	107 Å²	107	91.4 Å²	91.4	66%	0.656	45%	0.454	S	S	*	.	H	α-helix	trans	-77.7	-30	178.5	42.3	0	0	0	0	113.8	K457 Y458 W459	K457-T461 PolarHBondContact O-N 3.48Å; K457-T461 PolarHBondContact O-OG1 2.87Å; Y458-T461 WeakPolarHBondContact CA-OG1 3.29Å; Y458-T461 PolarHBondContact O-N 3.49Å; Y458-T461 PolarHBondContact O-OG1 3.27Å; W459-T461 PolarHBondContact O-N 2.98Å
462	S	62	Low	54.6	Low	55 Å²	55	95.2 Å²	95.2	39%	0.385	48%	0.479	S	S	.	.	H	α-helix	trans	-86.2	-6.7	-174.5	-55.2	0	0	0	0	113.6	Y458 W459 T464	Y458-S462 WeakPolarHBondContact CE1-OG 3.29Å; Y458-S462 WeakPolarHBondContact CE2-OG 3.4Å; Y458-S462 VanDerWaalsContact CZ-OG 3.24Å; Y458-S462 VanDerWaalsContact O-CB 3.27Å; Y458-S462 WeakPolarHBondContact O-CB 3.34Å; Y458-S462 PolarHBondContact O-N 3.31Å; Y458-S462 PolarHBondContact O-OG 3.03Å; W459-S462 PolarHBondContact O-N 2.92Å; S462-T464 PolarHBondContact O-N 2.91Å
463	G	44.3	Very low	52.5	Low	62 Å²	62	99.4 Å²	99.4	64%	0.639	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	19.9	173.2	0	0	0	0	0	114.4	W459 E465	W459-G463 PolarHBondContact O-N 3.44Å; G463-E465 PolarHBondContact O-N 3.41Å
464	T	48.1	Very low	50.4	Low	55 Å²	55	102.7 Å²	102.7	34%	0.337	53%	0.53	S	S	.	.			trans	-65.9	128.6	175.6	26.9	0	0	0	0	109.9	W459 S462 D466	W459-T464 HydrophobicContact CE3-CG2 4.34Å; W459-T464 VanDerWaalsContact CZ3-CB 3.47Å; W459-T464 HydrophobicContact CZ3-CG2 3.95Å; W459-T464 VanDerWaalsContact CZ3-OG1 3.29Å; W459-T464 WeakPolarHBondContact CZ3-OG1 3.23Å; S462-T464 PolarHBondContact O-N 2.91Å; T464-D466 PolarHBondContact O-N 3.43Å; T464-D466 VanDerWaalsContact O-N 3.11Å
465	E	41.5	Very low	48.3	Very low	186 Å²	186	104.3 Å²	104.3	87%	0.869	54%	0.539	S	S	*	.	S	Bend	trans	-70.6	0.6	-177	-65.2	-175.8	153.7	0	0	113.3	G463 I467	G463-E465 PolarHBondContact O-N 3.41Å; E465-I467 PolarHBondContact O-N 3.1Å
466	D	44.6	Very low	46.6	Very low	120 Å²	120	101 Å²	101	64%	0.642	54%	0.541	S	S	*	.			trans	-77.3	24	-174.7	-51.5	-24.7	0	0	0	113.9	W459 T464	W459-D466 HydrophobicContact CE3-CB 4.2Å; W459-D466 HydrophobicContact CH2-CB 4.26Å; W459-D466 WeakPolarHBondContact CH2-OD2 3.16Å; W459-D466 HydrophobicContact CZ3-CB 3.55Å; W459-D466 WeakPolarHBondContact CZ3-OD2 3.42Å; T464-D466 PolarHBondContact O-N 3.43Å; T464-D466 VanDerWaalsContact O-N 3.11Å
467	I	44.7	Very low	44.7	Very low	28 Å²	28	107.6 Å²	107.6	14%	0.144	58%	0.577	C	S	.	*			trans	-114	94.6	170.6	-63.3	175.8	0	0	0	107.1	W459 E465 F469 F498	W459-I467 HydrophobicContact CB-CD1 4.18Å; E465-I467 PolarHBondContact O-N 3.1Å; I467-F469 HydrophobicContact CG2-CE2 4.19Å; I467-F469 HydrophobicContact CG2-CZ 4.19Å; I467-F469 WeakPolarHBondContact O-CD2 3.36Å; I467-F469 PolarHBondContact O-N 3.43Å; I467-F498 HydrophobicContact CB-CE2 4.29Å; I467-F498 HydrophobicContact CD1-CD2 4.29Å; I467-F498 HydrophobicContact CD1-CE1 4.27Å; I467-F498 HydrophobicContact CD1-CE2 3.89Å; I467-F498 HydrophobicContact CD1-CZ 3.83Å; I467-F498 HydrophobicContact CG1-CE2 4.18Å; I467-F498 HydrophobicContact CG1-CZ 4.38Å; I467-F498 HydrophobicContact CG2-CD2 3.34Å; I467-F498 HydrophobicContact CG2-CE2 3.18Å; I467-F498 HydrophobicContact CG2-CG 4.47Å; I467-F498 HydrophobicContact CG2-CZ 4.16Å
468	E	40.9	Very low	43.1	Very low	128 Å²	128	106.8 Å²	106.8	60%	0.598	59%	0.588	S	S	*	*			trans	-64.4	106.7	165.1	-71.5	-169.7	169.7	0	0	107.7	E470 K847	E468-E470 PolarHBondContact O-N 3.45Å; E468-K847 IonicContact OE1-NZ 2.69Å; E468-K847 IonicContact OE2-NZ 2.73Å
469	F	35.2	Very low	41.2	Very low	76 Å²	76	108.4 Å²	108.4	33%	0.333	61%	0.609	S	S	.	*			trans	-64.6	126.4	168.5	-70.4	-86.5	0	0	0	108	I467 E471 K496 K497 F498	I467-F469 HydrophobicContact CG2-CE2 4.19Å; I467-F469 HydrophobicContact CG2-CZ 4.19Å; I467-F469 WeakPolarHBondContact O-CD2 3.36Å; I467-F469 PolarHBondContact O-N 3.43Å; F469-E471 PolarHBondContact O-N 3.03Å; F469-K496 HydrophobicContact CD1-CB 4.4Å; F469-K496 HydrophobicContact CD2-CD 4.43Å; F469-K496 HydrophobicContact CE1-CB 3.64Å; F469-K496 HydrophobicContact CE1-CG 4.37Å; F469-K496 HydrophobicContact CE2-CB 4.33Å; F469-K496 HydrophobicContact CE2-CD 3.67Å; F469-K496 HydrophobicContact CE2-CG 4.29Å; F469-K496 HydrophobicContact CZ-CB 3.61Å; F469-K496 HydrophobicContact CZ-CD 3.73Å; F469-K496 HydrophobicContact CZ-CG 4.06Å; F469-K497 WeakPolarHBondContact CD1-O 3.48Å; F469-K497 WeakPolarHBondContact CE1-O 3.31Å; F469-F498 HydrophobicContact CE1-CB 4.08Å; F469-F498 HydrophobicContact CE1-CD2 4.42Å
470	E	36.6	Very low	39.6	Very low	133 Å²	133	108.9 Å²	108.9	62%	0.621	64%	0.635	S	S	*	*			trans	-63	110.3	166	-68.3	-156.6	143.2	0	0	107.9	E468 D472 R851	E468-E470 PolarHBondContact O-N 3.45Å; E470-D472 PolarHBondContact O-N 3Å; E470-R851 IonicContact OE1-CZ 3.96Å; E470-R851 IonicContact OE1-NH1 2.98Å; E470-R851 PolarHBondContact OE1-NH1 3.28Å
471	E	28.9	Very low	38.1	Very low	181 Å²	181	111.6 Å²	111.6	85%	0.846	66%	0.66	S	S	*	*			trans	-72.3	115.2	159.5	-69.4	-173.2	162	0	0	106.4	F469 S473	F469-E471 PolarHBondContact O-N 3.03Å; E471-S473 VanDerWaalsContact C-N 3.31Å; E471-S473 PolarHBondContact O-N 3.12Å
472	D	28.7	Very low	36.1	Very low	137 Å²	137	112.6 Å²	112.6	73%	0.733	67%	0.666	S	S	*	*			trans	-57.9	97.8	165.6	-70.5	-40.6	0	0	0	107.4	E470 T474	E470-D472 PolarHBondContact O-N 3Å; D472-T474 PolarHBondContact O-N 3.33Å
473	S	32.7	Very low	34.7	Very low	95 Å²	95	116.7 Å²	116.7	66%	0.664	69%	0.688	S	S	*	*			trans	-72.2	80.5	166.5	61.1	0	0	0	0	107.7	E471 D475	E471-S473 VanDerWaalsContact C-N 3.31Å; E471-S473 PolarHBondContact O-N 3.12Å; S473-D475 PolarHBondContact O-N 3.3Å
474	T	28.5	Very low	34	Very low	119 Å²	119	120.7 Å²	120.7	73%	0.73	69%	0.694	S	S	*	*			trans	-70.7	79.7	155.5	50.5	0	0	0	0	107.4	D472 S476	D472-T474 PolarHBondContact O-N 3.33Å; T474-S476 PolarHBondContact O-N 2.71Å
475	D	29.2	Very low	33.3	Very low	146 Å²	146	127.4 Å²	127.4	78%	0.781	72%	0.718	S	S	*	*			trans	-73.5	81.9	164.6	-71.6	-21.2	0	0	0	107.6	S473	S473-D475 PolarHBondContact O-N 3.3Å
476	S	34.1	Very low	32.7	Very low	95 Å²	95	123.9 Å²	123.9	66%	0.664	71%	0.71	S	S	*	*			trans	-102.2	99.1	158.4	57	0	0	0	0	107.7	T474 S478	T474-S476 PolarHBondContact O-N 2.71Å; S476-S478 PolarHBondContact O-N 2.9Å
477	D	29.7	Very low	32	Very low	160 Å²	160	126.2 Å²	126.2	86%	0.856	72%	0.717	S	S	*	*			trans	-49.9	116.7	165.9	-72.8	-39.3	0	0	0	110.2
478	S	33.1	Very low	31.3	Very low	117 Å²	117	133.5 Å²	133.5	82%	0.818	75%	0.747	S	S	*	*			trans	-131.3	96.8	158.5	55.6	0	0	0	0	108.8	S476	S476-S478 PolarHBondContact O-N 2.9Å
479	T	30	Very low	30.8	Very low	141 Å²	141	133.5 Å²	133.5	87%	0.865	76%	0.759	S	S	*	*			trans	-76.5	125.9	167.7	32.9	0	0	0	0	109.6
480	G	28.7	Very low	30.6	Very low	78 Å²	78	135.4 Å²	135.4	80%	0.804	78%	0.776	S	S	*	*			trans	82.8	102.6	154.6	0	0	0	0	0	117.2
481	S	30	Very low	30.3	Very low	124 Å²	124	137.2 Å²	137.2	87%	0.867	79%	0.79	S	S	*	*				178.9	135.8	109	-158.4	0	0	0	0	111.4
482	T	26.6	Very low	30.5	Very low	129 Å²	129	137.3 Å²	137.3	79%	0.791	79%	0.788	S	S	*	*			trans	-67.3	120.4	-178.3	1.6	0	0	0	0	112.8
483	V	32.5	Very low	30.8	Very low	141 Å²	141	135.7 Å²	135.7	86%	0.855	79%	0.787	S	S	*	*			trans	-150.8	119.8	145.8	-177.4	0	0	0	0	110.5
484	I	29.8	Very low	30.9	Very low	146 Å²	146	140.3 Å²	140.3	75%	0.749	80%	0.796	S	S	*	*			trans	-73.2	132.6	173.5	-66.2	161.4	0	0	0	109.9
485	K	33.3	Very low	31	Very low	195 Å²	195	142.3 Å²	142.3	85%	0.848	80%	0.796	S	S	*	*			trans	-170.2	99.4	144.4	-102.4	162	-169.1	-174.4	0	111.7
486	T	27.8	Very low	31.1	Very low	113 Å²	113	142.7 Å²	142.7	69%	0.693	79%	0.791	S	S	*	*			trans	6.7	124.2	139.2	47.1	0	0	0	0	118.2
487	E	30	Very low	31.1	Very low	169 Å²	169	145.9 Å²	145.9	79%	0.79	79%	0.793	S	S	*	*				176.5	125.6	111.4	-92.6	179	-162.2	0	0	114.4
488	K	30.4	Very low	31.4	Very low	180 Å²	180	138.9 Å²	138.9	78%	0.783	76%	0.755	S	S	*	*			trans	53.6	120.3	151.4	-67	175.3	-179	167.6	0	121.2
489	P	31.6	Very low	31.5	Very low	129 Å²	129	134.5 Å²	134.5	84%	0.838	72%	0.722	S	S	*	*			trans	-88	122.5	176.1	34.7	-28.7	0	0	0	111.2
490	T	31.3	Very low	31.7	Very low	115 Å²	115	131.3 Å²	131.3	71%	0.706	72%	0.717	S	S	*	*			trans	-98	117.5	165.3	56.2	0	0	0	0	109.4	K492	T490-K492 PolarHBondContact O-N 3.11Å
491	N	30.2	Very low	32	Very low	172 Å²	172	129 Å²	129	92%	0.92	69%	0.686	S	S	*	*			trans	-55.5	93.4	173.2	-77.7	-25.7	0	0	0	111.2
492	K	32.8	Very low	32.1	Very low	183 Å²	183	131.5 Å²	131.5	80%	0.796	68%	0.682	S	S	*	*			trans	-89.7	114.6	163.1	-73.7	-179.3	178	176.5	0	107.3	T490 K494	T490-K492 PolarHBondContact O-N 3.11Å; K492-K494 PolarHBondContact O-N 2.83Å; K492-K494 VanDerWaalsContact O-N 3.15Å
493	S	33.9	Very low	32.3	Very low	103 Å²	103	130.6 Å²	130.6	72%	0.72	67%	0.667	S	S	*	*			trans	-46.6	120.2	166.9	47.1	0	0	0	0	108.7	E495	S493-E495 PolarHBondContact O-N 2.87Å
494	K	35.5	Very low	32	Very low	192 Å²	192	129.4 Å²	129.4	84%	0.835	66%	0.662	S	S	*	*			trans	-59.1	99.5	176	-71.2	-176.6	175.6	-174.6	0	108.1	K492 K496	K492-K494 PolarHBondContact O-N 2.83Å; K492-K494 VanDerWaalsContact O-N 3.15Å; K494-K496 PolarHBondContact O-N 2.86Å
495	E	30.6	Very low	32	Very low	160 Å²	160	128.4 Å²	128.4	75%	0.748	66%	0.663	S	S	*	*			trans	-63	100.7	166.3	-77.3	-176	165	0	0	107	S493 K497	S493-E495 PolarHBondContact O-N 2.87Å; E495-K497 PolarHBondContact O-N 2.7Å
496	K	31.5	Very low	31.8	Very low	154 Å²	154	126.8 Å²	126.8	67%	0.67	66%	0.662	S	S	*	*			trans	-74.7	107.2	177.1	-73.9	-177.8	173.4	-169.8	0	108.1	F469 K494 F498	F469-K496 HydrophobicContact CD1-CB 4.4Å; F469-K496 HydrophobicContact CD2-CD 4.43Å; F469-K496 HydrophobicContact CE1-CB 3.64Å; F469-K496 HydrophobicContact CE1-CG 4.37Å; F469-K496 HydrophobicContact CE2-CB 4.33Å; F469-K496 HydrophobicContact CE2-CD 3.67Å; F469-K496 HydrophobicContact CE2-CG 4.29Å; F469-K496 HydrophobicContact CZ-CB 3.61Å; F469-K496 HydrophobicContact CZ-CD 3.73Å; F469-K496 HydrophobicContact CZ-CG 4.06Å; K494-K496 PolarHBondContact O-N 2.86Å; K496-F498 PolarHBondContact O-N 3.32Å
497	K	32.9	Very low	31.8	Very low	163 Å²	163	129.9 Å²	129.9	71%	0.709	67%	0.666	S	S	*	*			trans	-70.4	117.3	171.2	-66.3	177.4	-178.5	174.9	0	108.1	F469 E495	F469-K497 WeakPolarHBondContact CD1-O 3.48Å; F469-K497 WeakPolarHBondContact CE1-O 3.31Å; E495-K497 PolarHBondContact O-N 2.7Å
498	F	36.4	Very low	31.6	Very low	13 Å²	13	129.3 Å²	129.3	6%	0.057	67%	0.669	C	S	.	*	B	Isolated β-bridge	trans	-112.6	124.7	168.8	-175.9	-116.9	0	0	0	108.3	L456 L460 I467 F469 K496 G500 I501	L456-F498 HydrophobicContact CD2-CE1 3.63Å; L456-F498 HydrophobicContact CD2-CZ 3.52Å; L460-F498 HydrophobicContact CD1-CD1 3.79Å; L460-F498 HydrophobicContact CD1-CE1 4.11Å; L460-F498 HydrophobicContact CD2-CB 4Å; L460-F498 HydrophobicContact CD2-CD1 3.59Å; L460-F498 HydrophobicContact CD2-CE1 4.25Å; L460-F498 HydrophobicContact CD2-CG 3.95Å; L460-F498 HydrophobicContact CG-CD1 3.93Å; L460-F498 HydrophobicContact CG-CE1 4.19Å; I467-F498 HydrophobicContact CB-CE2 4.29Å; I467-F498 HydrophobicContact CD1-CD2 4.29Å; I467-F498 HydrophobicContact CD1-CE1 4.27Å; I467-F498 HydrophobicContact CD1-CE2 3.89Å; I467-F498 HydrophobicContact CD1-CZ 3.83Å; I467-F498 HydrophobicContact CG1-CE2 4.18Å; I467-F498 HydrophobicContact CG1-CZ 4.38Å; I467-F498 HydrophobicContact CG2-CD2 3.34Å; I467-F498 HydrophobicContact CG2-CE2 3.18Å; I467-F498 HydrophobicContact CG2-CG 4.47Å; I467-F498 HydrophobicContact CG2-CZ 4.16Å; F469-F498 HydrophobicContact CE1-CB 4.08Å; F469-F498 HydrophobicContact CE1-CD2 4.42Å; K496-F498 PolarHBondContact O-N 3.32Å; F498-G500 PolarHBondContact O-N 2.75Å; F498-I501 PolarHBondContact O-N 3.07Å
499	L	36.3	Very low	31.6	Very low	25 Å²	25	126.1 Å²	126.1	13%	0.131	67%	0.665	C	S	.	*	T	Hydrogen-bonded Turn	trans	60.5	24.4	176.9	-57.8	174.3	0	0	0	115.8	L456 I501 H675	L456-L499 HydrophobicContact CD1-CD1 4.13Å; L456-L499 HydrophobicContact CD2-CD1 4.35Å; L499-I501 HydrophobicContact CB-CD1 3.83Å; L499-I501 HydrophobicContact CB-CG1 4.28Å; L499-I501 HydrophobicContact CD1-CD1 4.41Å; L499-I501 WeakPolarHBondContact O-CG1 3.35Å; L499-I501 PolarHBondContact O-N 2.79Å; L499-I501 VanDerWaalsContact O-N 3.09Å; L499-H675 HydrophobicContact CD2-CB 3.09Å; L499-H675 VanDerWaalsContact CD2-CD2 3.49Å; L499-H675 WeakPolarHBondContact CD2-CD2 3.32Å
500	G	32.9	Very low	31.4	Very low	73 Å²	73	128.9 Å²	128.9	75%	0.753	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	66.2	5.4	-170.7	0	0	0	0	0	113.8	F498	F498-G500 PolarHBondContact O-N 2.75Å
501	I	35.9	Very low	31.3	Very low	31 Å²	31	133.1 Å²	133.1	16%	0.159	68%	0.675	C	S	.	*	B	Isolated β-bridge	trans	-100.6	123.1	-177	-58.9	156.6	0	0	0	109.6	F498 L499 F503 L646	F498-I501 PolarHBondContact O-N 3.07Å; L499-I501 HydrophobicContact CB-CD1 3.83Å; L499-I501 HydrophobicContact CB-CG1 4.28Å; L499-I501 HydrophobicContact CD1-CD1 4.41Å; L499-I501 WeakPolarHBondContact O-CG1 3.35Å; L499-I501 PolarHBondContact O-N 2.79Å; L499-I501 VanDerWaalsContact O-N 3.09Å; I501-F503 HydrophobicContact CB-CD2 4.22Å; I501-F503 HydrophobicContact CB-CE2 3.78Å; I501-F503 HydrophobicContact CB-CZ 4.24Å; I501-F503 HydrophobicContact CD1-CE2 4.28Å; I501-F503 HydrophobicContact CD1-CZ 4.3Å; I501-F503 HydrophobicContact CG2-CD1 4.08Å; I501-F503 HydrophobicContact CG2-CD2 3.62Å; I501-F503 HydrophobicContact CG2-CE1 3.77Å; I501-F503 HydrophobicContact CG2-CE2 3.28Å; I501-F503 HydrophobicContact CG2-CG 4.03Å; I501-F503 HydrophobicContact CG2-CZ 3.38Å; I501-L646 HydrophobicContact CD1-CD1 3.46Å; I501-L646 VanDerWaalsContact CD1-CD1 3.46Å; I501-L646 HydrophobicContact CD1-CG 4Å; I501-L646 HydrophobicContact CG1-CD1 4.06Å; I501-L646 HydrophobicContact CG2-CD1 4.08Å
502	K	30.9	Very low	31.4	Very low	176 Å²	176	130 Å²	130	77%	0.765	67%	0.667	S	S	*	*			trans	-83.8	106.8	165.5	-77.7	-178.8	173.3	-177.8	0	108.5
503	F	31.1	Very low	31.1	Very low	110 Å²	110	126.8 Å²	126.8	48%	0.482	67%	0.667	S	S	.	*			trans	-94.8	123.6	167.1	-70	-72.5	0	0	0	109.7	L460 I501 T505 L646	L460-F503 HydrophobicContact CD1-CD2 3.92Å; L460-F503 HydrophobicContact CD1-CE2 3.83Å; I501-F503 HydrophobicContact CB-CD2 4.22Å; I501-F503 HydrophobicContact CB-CE2 3.78Å; I501-F503 HydrophobicContact CB-CZ 4.24Å; I501-F503 HydrophobicContact CD1-CE2 4.28Å; I501-F503 HydrophobicContact CD1-CZ 4.3Å; I501-F503 HydrophobicContact CG2-CD1 4.08Å; I501-F503 HydrophobicContact CG2-CD2 3.62Å; I501-F503 HydrophobicContact CG2-CE1 3.77Å; I501-F503 HydrophobicContact CG2-CE2 3.28Å; I501-F503 HydrophobicContact CG2-CG 4.03Å; I501-F503 HydrophobicContact CG2-CZ 3.38Å; F503-T505 PolarHBondContact O-N 3.34Å; F503-L646 HydrophobicContact CE1-CD1 4.21Å; F503-L646 HydrophobicContact CZ-CD1 3.82Å
504	P	27.1	Very low	30.8	Very low	115 Å²	115	133.1 Å²	133.1	75%	0.747	68%	0.675	S	S	*	*			trans	-65.2	124.7	174.3	25.4	-29.8	0	0	0	109	L506	P504-L506 PolarHBondContact O-N 3.4Å
505	T	29.6	Very low	30.3	Very low	126 Å²	126	128.3 Å²	128.3	77%	0.773	67%	0.666	S	S	*	*			trans	-65.1	104.8	170.4	52.8	0	0	0	0	108.7	F503 K507	F503-T505 PolarHBondContact O-N 3.34Å; T505-K507 PolarHBondContact O-N 2.79Å
506	L	29.4	Very low	30.4	Very low	160 Å²	160	127.3 Å²	127.3	84%	0.838	67%	0.671	S	S	*	*			trans	-66.8	103.4	168.9	-85	158.7	0	0	0	108.3	P504 N508	P504-L506 PolarHBondContact O-N 3.4Å; L506-N508 PolarHBondContact O-N 2.86Å
507	K	27.4	Very low	30	Very low	178 Å²	178	125 Å²	125	77%	0.774	67%	0.674	S	S	*	*			trans	-69.6	110.5	162.3	-74.3	177.7	177.4	173.3	0	107.2	T505 T509	T505-K507 PolarHBondContact O-N 2.79Å; K507-T509 PolarHBondContact O-N 3.13Å; K507-T509 VanDerWaalsContact O-N 3.12Å
508	N	25.3	Very low	30.1	Very low	158 Å²	158	123.2 Å²	123.2	85%	0.845	68%	0.679	S	S	*	*			trans	-56.8	112.3	164.2	-91.8	-6.8	0	0	0	109.1	L506	L506-N508 PolarHBondContact O-N 2.86Å
509	T	30.5	Very low	29.7	Very low	113 Å²	113	128.2 Å²	128.2	69%	0.693	72%	0.716	S	S	*	*			trans	-120.6	112.5	163.2	51	0	0	0	0	108.5	K507	K507-T509 PolarHBondContact O-N 3.13Å; K507-T509 VanDerWaalsContact O-N 3.12Å
510	H	28.7	Very low	29.6	Very low	187 Å²	187	130.5 Å²	130.5	87%	0.866	75%	0.745	S	S	*	*			trans	-43.5	135.2	170.8	-67.8	-93.4	0	0	0	112.4
511	F	28.3	Very low	29.5	Very low	203 Å²	203	138 Å²	138	89%	0.89	75%	0.751	S	S	*	*			trans	-118.3	111.6	156.3	-103.8	-85	0	0	0	109
512	S	31.8	Very low	29.5	Very low	107 Å²	107	142.8 Å²	142.8	75%	0.748	78%	0.777	S	S	*	*			trans	-76.8	144	171.2	58.3	0	0	0	0	110.8
513	S	27.4	Very low	29.7	Very low	116 Å²	116	140 Å²	140	81%	0.811	77%	0.774	S	S	*	*			trans	-56.1	145.5	164	48.2	0	0	0	0	112.8
514	R	28.2	Very low	30	Very low	236 Å²	236	140.8 Å²	140.8	89%	0.891	78%	0.784	S	S	*	*				175	127.9	122.5	-160.2	160.2	-177	175.6	-0.9	111.9
515	S	25.4	Very low	30.5	Very low	90 Å²	90	143.6 Å²	143.6	63%	0.629	79%	0.787	S	S	*	*			trans	-29.6	147.8	163.3	54.4	0	0	0	0	118.5
516	T	31.1	Very low	30.7	Very low	139 Å²	139	143.3 Å²	143.3	85%	0.853	79%	0.786	S	S	*	*				178.3	131.5	121.1	32	0	0	0	0	112.6
517	S	23.6	Very low	30.9	Very low	107 Å²	107	142.8 Å²	142.8	75%	0.748	78%	0.783	S	S	*	*			trans	-60.6	163.3	164.3	51.8	0	0	0	0	113.1
518	P	35.9	Very low	31.3	Very low	125 Å²	125	139.3 Å²	139.3	81%	0.812	78%	0.782	S	S	*	*				-161.2	-176	79.5	40.5	-16.5	0	0	0	117.8
519	S	26.1	Very low	31.8	Very low	118 Å²	118	141.5 Å²	141.5	83%	0.825	78%	0.784	S	S	*	*			trans	-63.9	161.9	176.3	52.7	0	0	0	0	119.9
520	G	34.9	Very low	32	Very low	73 Å²	73	140.8 Å²	140.8	75%	0.753	78%	0.783	S	S	*	*			trans	137.2	103.6	152.3	0	0	0	0	0	113.4
521	R	31.7	Very low	32.2	Very low	230 Å²	230	139.9 Å²	139.9	87%	0.868	78%	0.78	S	S	*	*				90.5	134.4	76.3	-106.8	-169.8	-161.8	172.1	4.7	115.2
522	D	35.9	Very low	32.2	Very low	132 Å²	132	137.3 Å²	137.3	71%	0.706	77%	0.774	S	S	*	*			trans	84.1	131.4	157	-50.8	-21.6	0	0	0	117.4
523	T	35.2	Very low	32.2	Very low	116 Å²	116	138.3 Å²	138.3	71%	0.712	78%	0.776	S	S	*	*			cis	-173.7	156.6	12.2	13.4	0	0	0	0	111.4
524	N	36.4	Very low	32.4	Very low	128 Å²	128	137.7 Å²	137.7	68%	0.684	77%	0.772	S	S	*	*			trans	87	99.6	155.6	-58	-16.7	0	0	0	119.8
525	Q	37.6	Very low	32.7	Very low	173 Å²	173	133.5 Å²	133.5	81%	0.808	77%	0.772	S	S	*	*				78.6	120.6	90.9	-80.1	-177.9	26.1	0	0	112.1
526	T	34.4	Very low	33.1	Very low	121 Å²	121	136.2 Å²	136.2	74%	0.742	78%	0.779	S	S	*	*			cis	-156.7	139.7	42.6	46.4	0	0	0	0	114.4
527	D	32.8	Very low	32.9	Very low	148 Å²	148	136.3 Å²	136.3	79%	0.791	78%	0.78	S	S	*	*			trans	-7.8	141.5	150	-51.2	-48.8	0	0	0	118.9
528	S	37	Very low	33.2	Very low	106 Å²	106	135.8 Å²	135.8	74%	0.741	78%	0.776	S	S	*	*				179	142.9	56.3	32.4	0	0	0	0	112.2
529	K	35.4	Very low	33.1	Very low	204 Å²	204	139 Å²	139	89%	0.887	78%	0.78	S	S	*	*			trans	29.6	139	137.4	-71	170.7	174.8	174.2	0	119.3
530	S	34.9	Very low	33.3	Very low	98 Å²	98	136.6 Å²	136.6	69%	0.685	77%	0.774	S	S	*	*			cis	-177.7	141.9	26.5	42	0	0	0	0	110.4
531	E	31.5	Very low	33.1	Very low	168 Å²	168	140.1 Å²	140.1	79%	0.785	78%	0.776	S	S	*	*			trans	48	111.1	132.9	-60.8	-175.9	149.4	0	0	120.2
532	L	30	Very low	33.1	Very low	148 Å²	148	135.6 Å²	135.6	78%	0.775	77%	0.768	S	S	*	*				77.9	112.9	95.7	-79.1	157.4	0	0	0	114.1
533	T	31.2	Very low	32.8	Very low	128 Å²	128	134.8 Å²	134.8	79%	0.785	77%	0.768	S	S	*	*				173.5	125	120.7	47.6	0	0	0	0	111.9
534	S	31.6	Very low	32.6	Very low	103 Å²	103	136.7 Å²	136.7	72%	0.72	77%	0.774	S	S	*	*			trans	35.2	120.9	146.6	60	0	0	0	0	121.3
535	V	34	Very low	32.1	Very low	148 Å²	148	134.3 Å²	134.3	90%	0.897	78%	0.779	S	S	*	*			trans	-123.6	107.7	151.4	176.7	0	0	0	0	107.5
536	D	33.2	Very low	31.7	Very low	147 Å²	147	131.8 Å²	131.8	79%	0.786	78%	0.775	S	S	*	*			trans	-84.9	150.4	166.1	-87.3	-41.5	0	0	0	110.7
537	T	27.4	Very low	31.3	Very low	141 Å²	141	132.3 Å²	132.3	87%	0.865	78%	0.779	S	S	*	*			trans	-70.7	131.7	-174	-12.9	0	0	0	0	113.6
538	S	30.9	Very low	31	Very low	96 Å²	96	135.4 Å²	135.4	67%	0.671	78%	0.781	S	S	*	*			trans	-158.2	150.6	169.6	62.2	0	0	0	0	113.7
539	E	32.2	Very low	30.5	Very low	193 Å²	193	136.1 Å²	136.1	90%	0.902	78%	0.78	S	S	*	*			trans	79.2	132	159.5	-43.1	-165.9	172	0	0	116.1
540	G	31.5	Very low	30.3	Very low	67 Å²	67	132.6 Å²	132.6	69%	0.691	78%	0.778	S	S	*	*			cis	137.1	133	19.3	0	0	0	0	0	107.4
541	D	29.7	Very low	29.9	Very low	148 Å²	148	136.2 Å²	136.2	79%	0.791	78%	0.784	S	S	*	*			trans	77.7	118.3	152.3	-77.4	-7.1	0	0	0	123.6
542	L	31.5	Very low	29.6	Very low	134 Å²	134	134.8 Å²	134.8	70%	0.702	78%	0.782	S	S	*	*				83.4	113.7	123.9	-63.1	168.4	0	0	0	121.6
543	T	30	Very low	29.5	Very low	116 Å²	116	135.6 Å²	135.6	71%	0.712	79%	0.787	S	S	*	*				79.9	136.8	129	59.2	0	0	0	0	122.1
544	D	30.7	Very low	29.4	Very low	156 Å²	156	134.4 Å²	134.4	83%	0.834	79%	0.785	S	S	*	*			trans	77.1	93.8	153.6	-70	-9	0	0	0	121.3
545	G	26.3	Very low	29	Very low	77 Å²	77	140.2 Å²	140.2	79%	0.794	79%	0.79	S	S	*	*				66	85	110.3	0	0	0	0	0	119.1
546	V	29.2	Very low	28.6	Very low	120 Å²	120	139.4 Å²	139.4	73%	0.727	79%	0.79	S	S	*	*			trans	-146	132.9	154.4	-174.6	0	0	0	0	110.9	Y548	V546-Y548 WeakPolarHBondContact O-CD2 3.32Å
547	V	25	Very low	28.3	Very low	133 Å²	133	138 Å²	138	81%	0.806	79%	0.786	S	S	*	*			trans	-59.2	126.9	175	174.9	0	0	0	0	111.3
548	Y	28.1	Very low	28.2	Very low	213 Å²	213	135.7 Å²	135.7	84%	0.835	77%	0.767	S	S	*	*			trans	-113.7	129.3	171.2	-83.1	-86.6	0	0	0	111.8	V546	V546-Y548 WeakPolarHBondContact O-CD2 3.32Å
549	T	25.6	Very low	27.9	Very low	120 Å²	120	135.6 Å²	135.6	74%	0.736	76%	0.759	S	S	*	*			trans	-105.2	140.1	163.7	45.5	0	0	0	0	107.6
550	P	31.6	Very low	27.9	Very low	130 Å²	130	131.2 Å²	131.2	84%	0.844	75%	0.749	S	S	*	*			trans	-93	117.3	-175.3	32.5	-27.7	0	0	0	111.6
551	E	25.7	Very low	27.9	Very low	174 Å²	174	132.6 Å²	132.6	81%	0.813	75%	0.745	S	S	*	*			trans	-121.9	149.9	158.6	-72.6	-155.8	157.4	0	0	109.7
552	D	26.1	Very low	28	Very low	139 Å²	139	129 Å²	129	74%	0.743	73%	0.728	S	S	*	*			trans	78.8	89.2	168.4	-64.2	-21.3	0	0	0	119.5
553	D	28.7	Very low	28	Very low	164 Å²	164	127.4 Å²	127.4	88%	0.877	72%	0.72	S	S	*	*			trans	-144.1	98.8	133.1	-117.4	-19.4	0	0	0	111.6
554	S	27.2	Very low	28	Very low	104 Å²	104	126.1 Å²	126.1	73%	0.727	72%	0.715	S	S	*	*			trans	-112.2	88.4	174.8	51.9	0	0	0	0	109.2
555	R	24.9	Very low	28.2	Very low	224 Å²	224	123.3 Å²	123.3	85%	0.845	71%	0.708	S	S	*	*			trans	-163.1	76	170.3	-111.7	-180	-97.4	175.4	-4.7	111.8
556	C	24.3	Very low	28.6	Very low	132 Å²	132	122.5 Å²	122.5	89%	0.892	69%	0.694	S	S	*	*			trans	-114.4	82.1	164.2	-78.6	0	0	0	0	110.3	M558	C556-M558 PolarHBondContact O-N 3.44Å
557	V	26.6	Very low	28.9	Very low	116 Å²	116	121 Å²	121	70%	0.703	68%	0.676	S	S	*	*			trans	-84.7	96.2	160.3	-179.6	0	0	0	0	106.2	N559	V557-N559 VanDerWaalsContact C-N 3.34Å; V557-N559 PolarHBondContact O-N 2.94Å
558	M	27.3	Very low	29	Very low	93 Å²	93	117.1 Å²	117.1	46%	0.458	66%	0.663	S	S	.	*			trans	-74.4	92.8	173.2	-96.3	-93.4	-99.3	0	0	109.1	C556 V562 L563 P648	C556-M558 PolarHBondContact O-N 3.44Å; M558-V562 HydrophobicContact SD-CB 4.09Å; M558-V562 HydrophobicContact SD-CG1 4.18Å; M558-L563 HydrophobicContact CE-CD1 4.48Å; M558-L563 HydrophobicContact CE-CD2 4.21Å; M558-L563 HydrophobicContact CE-CG 4.13Å; M558-P648 HydrophobicContact CE-CG 3.76Å
559	N	24.7	Very low	29.1	Very low	95 Å²	95	112.8 Å²	112.8	51%	0.508	66%	0.655	S	S	.	*			trans	-55.4	133.3	164.5	-75.2	-30.2	0	0	0	109.1	V557 T561 V562	V557-N559 VanDerWaalsContact C-N 3.34Å; V557-N559 PolarHBondContact O-N 2.94Å; N559-T561 WeakPolarHBondContact CB-OG1 3.45Å; N559-T561 PolarHBondContact O-N 3.01Å; N559-V562 HydrophobicContact CB-CG2 4.36Å; N559-V562 PolarHBondContact O-N 3.07Å
560	S	32.2	Very low	29.5	Very low	100 Å²	100	117.3 Å²	117.3	70%	0.699	66%	0.658	S	S	*	*	H	α-helix	trans	-56.4	-12.9	175.5	60.9	0	0	0	0	113.9
561	T	30.6	Very low	29.4	Very low	97 Å²	97	116.9 Å²	116.9	60%	0.595	65%	0.646	S	S	*	*	H	α-helix	trans	-75	-24.9	174.4	8.7	0	0	0	0	113.9	N559 S564 S565	N559-T561 WeakPolarHBondContact CB-OG1 3.45Å; N559-T561 PolarHBondContact O-N 3.01Å; T561-S564 PolarHBondContact O-N 2.8Å; T561-S565 WeakPolarHBondContact O-CB 3.5Å; T561-S565 PolarHBondContact O-N 3.02Å
562	V	32.4	Very low	29.5	Very low	73 Å²	73	112.1 Å²	112.1	44%	0.442	63%	0.632	S	S	.	*	H	α-helix	trans	-75.9	-35.5	-175.8	-178	0	0	0	0	111.9	M558 N559 S564 S565 A566	M558-V562 HydrophobicContact SD-CB 4.09Å; M558-V562 HydrophobicContact SD-CG1 4.18Å; N559-V562 HydrophobicContact CB-CG2 4.36Å; N559-V562 PolarHBondContact O-N 3.07Å; V562-S564 VanDerWaalsContact C-N 3.3Å; V562-S564 PolarHBondContact O-N 3Å; V562-S565 PolarHBondContact O-N 3.03Å; V562-A566 WeakPolarHBondContact O-CB 3.14Å; V562-A566 PolarHBondContact O-N 2.95Å
563	L	30.7	Very low	29.6	Very low	99 Å²	99	109.4 Å²	109.4	52%	0.518	64%	0.637	S	S	.	*	H	α-helix	trans	-68.9	-29.2	173.5	-75.3	171.2	0	0	0	112.9	M558 P648	M558-L563 HydrophobicContact CE-CD1 4.48Å; M558-L563 HydrophobicContact CE-CD2 4.21Å; M558-L563 HydrophobicContact CE-CG 4.13Å; L563-P648 HydrophobicContact CD2-CG 4.21Å
564	S	30.4	Very low	29.6	Very low	89 Å²	89	108.3 Å²	108.3	62%	0.622	63%	0.63	S	S	*	*	H	α-helix	trans	-75.8	-29.2	171.7	-62.7	0	0	0	0	112.3	T561 V562 G568	T561-S564 PolarHBondContact O-N 2.8Å; V562-S564 VanDerWaalsContact C-N 3.3Å; V562-S564 PolarHBondContact O-N 3Å; S564-G568 WeakPolarHBondContact O-CA 3.47Å; S564-G568 PolarHBondContact O-N 3.45Å
565	S	33.8	Very low	29.7	Very low	98 Å²	98	108.3 Å²	108.3	69%	0.685	63%	0.626	S	S	*	*	H	α-helix	trans	-82.6	-35.8	179.2	-170.5	0	0	0	0	113.4	T561 V562 Y567	T561-S565 WeakPolarHBondContact O-CB 3.5Å; T561-S565 PolarHBondContact O-N 3.02Å; V562-S565 PolarHBondContact O-N 3.03Å; S565-Y567 VanDerWaalsContact C-N 3.3Å; S565-Y567 PolarHBondContact O-N 3.29Å
566	A	36.2	Very low	29.8	Very low	60 Å²	60	105.1 Å²	105.1	50%	0.496	62%	0.618	S	S	.	*	H	α-helix	trans	-73.2	-22.5	-176	0	0	0	0	0	113.4	V562	V562-A566 WeakPolarHBondContact O-CB 3.14Å; V562-A566 PolarHBondContact O-N 2.95Å
567	Y	35.8	Very low	29.9	Very low	87 Å²	87	104.9 Å²	104.9	34%	0.341	62%	0.615	S	S	.	*	H	α-helix	trans	-119.1	-1.5	-179.1	-78.5	-78.1	0	0	0	114.4	S565 D569 R570 M571	S565-Y567 VanDerWaalsContact C-N 3.3Å; S565-Y567 PolarHBondContact O-N 3.29Å; Y567-D569 PolarHBondContact O-N 3.36Å; Y567-R570 PolarHBondContact O-N 3.03Å; Y567-M571 HydrophobicContact CD1-CE 3.48Å; Y567-M571 VanDerWaalsContact CD1-CE 3.48Å; Y567-M571 HydrophobicContact CD1-CG 3.89Å; Y567-M571 HydrophobicContact CD1-SD 4.44Å; Y567-M571 HydrophobicContact CD2-CE 4.24Å; Y567-M571 HydrophobicContact CE1-CE 4.06Å; Y567-M571 HydrophobicContact CG-CE 3.58Å; Y567-M571 HydrophobicContact CG-CG 4.35Å; Y567-M571 PolarHBondContact O-N 2.9Å
568	G	27.2	Very low	29.9	Very low	53 Å²	53	105.3 Å²	105.3	55%	0.546	62%	0.618	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60	-26.7	179.5	0	0	0	0	0	114.5	S564	S564-G568 WeakPolarHBondContact O-CA 3.47Å; S564-G568 PolarHBondContact O-N 3.45Å
569	D	29.8	Very low	30	Very low	122 Å²	122	108.3 Å²	108.3	65%	0.652	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.7	-2.2	179.5	-83.4	-36	0	0	0	114.1	Y567 K576	Y567-D569 PolarHBondContact O-N 3.36Å; D569-K576 WeakPolarHBondContact OD1-CE 3.25Å; D569-K576 IonicContact OD1-NZ 3.26Å; D569-K576 PolarHBondContact OD1-NZ 2.91Å
570	R	33.9	Very low	30.1	Very low	214 Å²	214	112.3 Å²	112.3	81%	0.808	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.2	-3.6	-174.6	-73.8	-176.2	177	175.5	-0.8	115.3	Y567	Y567-R570 PolarHBondContact O-N 3.03Å
571	M	28.6	Very low	30	Very low	122 Å²	122	112.8 Å²	112.8	60%	0.601	66%	0.66	S	S	*	*	S	Bend	trans	-98.3	3.8	-178.2	-82	-161.9	-173.8	0	0	115.6	Y567	Y567-M571 HydrophobicContact CD1-CE 3.48Å; Y567-M571 VanDerWaalsContact CD1-CE 3.48Å; Y567-M571 HydrophobicContact CD1-CG 3.89Å; Y567-M571 HydrophobicContact CD1-SD 4.44Å; Y567-M571 HydrophobicContact CD2-CE 4.24Å; Y567-M571 HydrophobicContact CE1-CE 4.06Å; Y567-M571 HydrophobicContact CG-CE 3.58Å; Y567-M571 HydrophobicContact CG-CG 4.35Å; Y567-M571 PolarHBondContact O-N 2.9Å
572	S	28.9	Very low	30	Very low	73 Å²	73	112.9 Å²	112.9	51%	0.51	66%	0.664	S	S	.	*			trans	-127.8	113.1	172.4	63.1	0	0	0	0	110.9	L574	S572-L574 PolarHBondContact O-N 2.89Å; S572-L574 PolarHBondContact OG-O 3.44Å
573	G	27.2	Very low	29.9	Very low	82 Å²	82	114.4 Å²	114.4	85%	0.845	69%	0.685	S	S	*	*	S	Bend	trans	-67.3	31.9	155.7	0	0	0	0	0	112.8
574	L	29.8	Very low	30	Very low	141 Å²	141	115.9 Å²	115.9	74%	0.738	69%	0.693	S	S	*	*	S	Bend	trans	-122.3	121.9	170.8	-87.2	115.2	0	0	0	107.9	S572	S572-L574 PolarHBondContact O-N 2.89Å; S572-L574 PolarHBondContact OG-O 3.44Å
575	T	28.9	Very low	30	Very low	104 Å²	104	114.7 Å²	114.7	64%	0.638	69%	0.689	S	S	*	*			trans	-52.8	136.1	168.1	43.8	0	0	0	0	109.8
576	K	25.9	Very low	29.9	Very low	157 Å²	157	117 Å²	117	68%	0.683	69%	0.692	S	S	*	*			trans	-50	126	178	-81.8	170	173.8	157.3	0	110.2	D569 T578	D569-K576 WeakPolarHBondContact OD1-CE 3.25Å; D569-K576 IonicContact OD1-NZ 3.26Å; D569-K576 PolarHBondContact OD1-NZ 2.91Å; K576-T578 PolarHBondContact O-N 3.4Å
577	P	26.6	Very low	29.7	Very low	127 Å²	127	120.2 Å²	120.2	83%	0.825	70%	0.701	S	S	*	*			trans	-72.3	110.4	161	8.2	6	0	0	0	107.5	D579	P577-D579 PolarHBondContact O-N 3.41Å; P577-D579 VanDerWaalsContact O-N 3.15Å
578	T	27.8	Very low	29.5	Very low	126 Å²	126	123.6 Å²	123.6	77%	0.773	72%	0.72	S	S	*	*			trans	-66.8	98.1	157.9	42.9	0	0	0	0	107.4	K576	K576-T578 PolarHBondContact O-N 3.4Å
579	D	28.4	Very low	29.6	Very low	155 Å²	155	132.7 Å²	132.7	83%	0.829	74%	0.738	S	S	*	*			trans	-176	129.9	144.2	-88.9	-22.3	0	0	0	111.6	P577 S581	P577-D579 PolarHBondContact O-N 3.41Å; P577-D579 VanDerWaalsContact O-N 3.15Å; D579-S581 PolarHBondContact O-N 3.22Å
580	L	26.9	Very low	29.7	Very low	179 Å²	179	131.5 Å²	131.5	94%	0.937	74%	0.739	S	S	*	*			trans	-79.1	91.7	179.1	-77.7	91.4	0	0	0	110.8
581	S	30.7	Very low	29.4	Very low	111 Å²	111	125.3 Å²	125.3	78%	0.776	73%	0.733	S	S	*	*			trans	-174.4	92.2	146.6	56.4	0	0	0	0	112.5	D579	D579-S581 PolarHBondContact O-N 3.22Å
582	S	30.7	Very low	29.4	Very low	98 Å²	98	122.3 Å²	122.3	69%	0.685	73%	0.728	S	S	*	*			trans	-177.9	98.5	143.8	48.9	0	0	0	0	110.5	N584	S582-N584 PolarHBondContact O-N 2.89Å
583	A	30.5	Very low	29.3	Very low	105 Å²	105	120.8 Å²	120.8	87%	0.868	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	28.4	172.6	0	0	0	0	0	113.5
584	N	31.8	Very low	29.3	Very low	130 Å²	130	122.5 Å²	122.5	70%	0.695	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.6	-3.4	-171.2	-75.3	-11.8	0	0	0	115.2	S582 I586	S582-N584 PolarHBondContact O-N 2.89Å; N584-I586 VanDerWaalsContact C-N 3.33Å; N584-I586 PolarHBondContact O-N 2.9Å
585	A	31.5	Very low	29.2	Very low	64 Å²	64	120.3 Å²	120.3	53%	0.529	71%	0.712	S	S	.	*	G	3₁₀ helix	trans	-75.4	-13.7	-177	0	0	0	0	0	115.1	N587	A585-N587 VanDerWaalsContact C-N 3.3Å; A585-N587 PolarHBondContact O-N 2.99Å
586	I	30.3	Very low	29.5	Very low	147 Å²	147	124.3 Å²	124.3	75%	0.754	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-78.1	-13.5	-176.3	-67.7	169.1	0	0	0	112.7	N584	N584-I586 VanDerWaalsContact C-N 3.33Å; N584-I586 PolarHBondContact O-N 2.9Å
587	N	31.8	Very low	29.5	Very low	127 Å²	127	120.1 Å²	120.1	68%	0.679	72%	0.718	S	S	*	*	G	3₁₀ helix	trans	-91.9	-7.7	-179.9	-75.3	-21.4	0	0	0	114.7	A585 W589	A585-N587 VanDerWaalsContact C-N 3.3Å; A585-N587 PolarHBondContact O-N 2.99Å; N587-W589 VanDerWaalsContact C-N 3.33Å
588	E	31.3	Very low	29.5	Very low	159 Å²	159	121.2 Å²	121.2	74%	0.743	71%	0.712	S	S	*	*	G	3₁₀ helix	trans	-75.1	-21.6	177.6	-104	178.6	160.4	0	0	113.3	S590	E588-S590 PolarHBondContact O-N 3.32Å
589	W	30.7	Very low	29.5	Very low	243 Å²	243	121.7 Å²	121.7	92%	0.92	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-76.5	-2.6	-179.4	-69.9	1	0	0	0	114.8	N587	N587-W589 VanDerWaalsContact C-N 3.33Å
590	S	30.9	Very low	29.3	Very low	98 Å²	98	117.3 Å²	117.3	69%	0.685	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-117.9	1.6	-177.3	-58.8	0	0	0	0	114.5	E588	E588-S590 PolarHBondContact O-N 3.32Å
591	A	28	Very low	29.4	Very low	83 Å²	83	117.7 Å²	117.7	69%	0.686	69%	0.687	S	S	*	*			trans	-98.4	-2.9	-171.6	0	0	0	0	0	115.3	G593	A591-G593 VanDerWaalsContact C-N 3.34Å; A591-G593 PolarHBondContact O-N 3.11Å
592	A	28.5	Very low	29.1	Very low	60 Å²	60	119.4 Å²	119.4	50%	0.496	69%	0.687	S	S	.	*			trans	-83	78.2	174.3	0	0	0	0	0	111
593	G	26.6	Very low	28.9	Very low	40 Å²	40	121 Å²	121	41%	0.412	69%	0.687	S	S	.	*			trans	-55.4	162	173	0	0	0	0	0	114.2	A591 V595	A591-G593 VanDerWaalsContact C-N 3.34Å; A591-G593 PolarHBondContact O-N 3.11Å; G593-V595 PolarHBondContact O-N 3.17Å
594	P	28.2	Very low	28.8	Very low	118 Å²	118	125.9 Å²	125.9	77%	0.766	68%	0.683	S	S	*	*			trans	-82.8	117.9	-163.6	33	-31.4	0	0	0	111.2
595	V	27.4	Very low	28.6	Very low	96 Å²	96	126 Å²	126	58%	0.582	69%	0.689	S	S	*	*			trans	-142.7	150.2	160.1	-167.8	0	0	0	0	105.5	G593	G593-V595 PolarHBondContact O-N 3.17Å
596	W	34.1	Very low	28.6	Very low	187 Å²	187	131.4 Å²	131.4	71%	0.708	71%	0.708	S	S	*	*			trans	100.2	87.7	172.7	-40	114.1	0	0	0	114.4
597	G	26	Very low	28.7	Very low	70 Å²	70	130.2 Å²	130.2	72%	0.722	71%	0.711	S	S	*	*			trans	-114.9	160.4	152.7	0	0	0	0	0	109.6
598	Q	27.7	Very low	28.5	Very low	149 Å²	149	128.8 Å²	128.8	70%	0.696	72%	0.717	S	S	*	*			trans	-139.3	66.3	157	-126.2	177.1	-6.3	0	0	109
599	H	27.8	Very low	28.5	Very low	137 Å²	137	132.2 Å²	132.2	63%	0.634	72%	0.723	S	S	*	*			trans	-106.9	94.4	133.6	-76.7	-46.4	0	0	0	105.4	Y601	H599-Y601 PolarHBondContact O-N 3.09Å
600	G	24.7	Very low	28.7	Very low	63 Å²	63	131.2 Å²	131.2	65%	0.649	72%	0.719	S	S	*	*			trans	-60	109.3	170.3	0	0	0	0	0	108.7
601	Y	27.5	Very low	28.9	Very low	187 Å²	187	134.2 Å²	134.2	73%	0.733	72%	0.72	S	S	*	*			trans	-145.9	130.6	138.8	-96.3	-76.7	0	0	0	109.3	H599	H599-Y601 PolarHBondContact O-N 3.09Å
602	N	25.9	Very low	29.2	Very low	147 Å²	147	140 Å²	140	79%	0.786	72%	0.724	S	S	*	*			trans	-76.2	154.3	-172.3	-100.5	-47.3	0	0	0	113
603	L	25.8	Very low	29.5	Very low	131 Å²	131	142.8 Å²	142.8	69%	0.686	73%	0.731	S	S	*	*			trans	97.2	125.9	135.8	-109	76.9	0	0	0	121.1
604	R	28.6	Very low	29.8	Very low	208 Å²	208	149.8 Å²	149.8	79%	0.785	75%	0.745	S	S	*	*			trans	99.3	88.9	143.3	-73.4	177.9	177	169.3	0.9	118.7	L606	R604-L606 PolarHBondContact O-N 2.99Å
605	T	28	Very low	30	Very low	133 Å²	133	152.4 Å²	152.4	82%	0.816	74%	0.739	S	S	*	*				-4.4	110.7	129.7	42.5	0	0	0	0	116.3
606	L	31.1	Very low	30.4	Very low	176 Å²	176	155.7 Å²	155.7	92%	0.921	75%	0.746	S	S	*	*			trans	-129.5	133.4	151.5	-81.9	176.5	0	0	0	111.1	R604	R604-L606 PolarHBondContact O-N 2.99Å
607	C	31.1	Very low	30.3	Very low	122 Å²	122	154.3 Å²	154.3	82%	0.824	75%	0.751	S	S	*	*			trans	-78	140.6	-163.8	-65.9	0	0	0	0	114.1
608	A	28.2	Very low	30.5	Very low	97 Å²	97	155.3 Å²	155.3	80%	0.802	75%	0.747	S	S	*	*			trans	20	122.2	133.6	0	0	0	0	0	120.1
609	R	32.3	Very low	30.6	Very low	231 Å²	231	152.7 Å²	152.7	87%	0.872	75%	0.745	S	S	*	*			trans	-155.5	104	140.7	-144.7	166.3	162	154.4	-5.8	113.9
610	R	33.2	Very low	30.8	Very low	223 Å²	223	152.8 Å²	152.8	84%	0.842	76%	0.756	S	S	*	*				34.8	145.8	127.3	-70.7	177	178.3	170.1	-0.3	118.6
611	K	35.1	Very low	30.9	Very low	161 Å²	161	157.2 Å²	157.2	70%	0.7	77%	0.765	S	S	*	*			cis	169.1	155.4	-6.7	-131.1	178.4	-174.2	175.1	0	105.5
612	R	36.2	Very low	31	Very low	204 Å²	204	159.4 Å²	159.4	77%	0.77	77%	0.772	S	S	*	*			trans	78	141.7	151.2	-74.2	175.9	167	156.5	-5.1	117.6
613	N	33.6	Very low	31	Very low	119 Å²	119	157.2 Å²	157.2	64%	0.636	77%	0.768	S	S	*	*			cis	-162.2	137	16.9	-99.8	-26.3	0	0	0	108.5
614	R	33.3	Very low	31.1	Very low	187 Å²	187	155.7 Å²	155.7	71%	0.706	77%	0.768	S	S	*	*				56.7	138	98.2	-75	-173.6	164.7	-179.8	0.9	114.7
615	R	33.4	Very low	31	Very low	173 Å²	173	153.5 Å²	153.5	65%	0.653	77%	0.771	S	S	*	*			cis	176.4	155.9	20.6	-118.7	171.2	-175.6	175.2	-6.2	110.7
616	K	34.7	Very low	30.9	Very low	165 Å²	165	152.6 Å²	152.6	72%	0.717	77%	0.768	S	S	*	*			trans	82.1	115.2	145.6	-69.1	-172.5	171.6	-171.9	0	120.2
617	L	31.8	Very low	30.8	Very low	158 Å²	158	152.2 Å²	152.2	83%	0.827	77%	0.767	S	S	*	*				74.4	140	95.5	-85.7	120.7	0	0	0	112.6
618	S	30.5	Very low	30.6	Very low	91 Å²	91	155.7 Å²	155.7	64%	0.636	77%	0.771	S	S	*	*			cis	-165.1	165.1	11.7	58	0	0	0	0	110.5
619	S	30	Very low	30.5	Very low	93 Å²	93	154.1 Å²	154.1	65%	0.65	76%	0.764	S	S	*	*			trans	53.2	122.3	142.3	69.2	0	0	0	0	120.7
620	T	31.6	Very low	30.4	Very low	140 Å²	140	151.2 Å²	151.2	86%	0.859	77%	0.765	S	S	*	*				171.7	138.7	93.5	38.1	0	0	0	0	111.2
621	N	26.3	Very low	30.1	Very low	156 Å²	156	149.9 Å²	149.9	83%	0.834	77%	0.765	S	S	*	*			trans	-58.7	150.9	171.2	-70.3	-28.6	0	0	0	113.5
622	R	29.6	Very low	29.5	Very low	233 Å²	233	146.3 Å²	146.3	88%	0.879	76%	0.76	S	S	*	*			trans	153.6	105.9	141.9	-90.7	172.4	178.5	-173.2	-0.6	108.1
623	S	26.7	Very low	29	Very low	101 Å²	101	149.5 Å²	149.5	71%	0.706	77%	0.773	S	S	*	*				76.4	141.7	87.1	72.1	0	0	0	0	113.7
624	S	27.2	Very low	28.7	Very low	98 Å²	98	152 Å²	152	69%	0.685	78%	0.778	S	S	*	*			trans	86.5	115.6	165.5	105.1	0	0	0	0	114.1
625	L	26.3	Very low	28.3	Very low	163 Å²	163	152.1 Å²	152.1	85%	0.853	78%	0.784	S	S	*	*				84.7	95.8	74.3	-80.8	152.3	0	0	0	111.3
626	C	27.6	Very low	28	Very low	113 Å²	113	151 Å²	151	76%	0.764	79%	0.79	S	S	*	*			trans	-177	98.4	146.2	39.6	0	0	0	0	106.4
627	L	29	Very low	27.7	Very low	169 Å²	169	153.1 Å²	153.1	89%	0.885	80%	0.8	S	S	*	*				90.3	116.8	88.4	-116.4	97.6	0	0	0	111.4
628	E	26.3	Very low	27.5	Very low	194 Å²	194	154 Å²	154	91%	0.907	80%	0.797	S	S	*	*			trans	-56.4	145.7	172.7	-66.2	155	141.4	0	0	112.8
629	G	25.4	Very low	27.4	Very low	64 Å²	64	156.5 Å²	156.5	66%	0.66	80%	0.798	S	S	*	*			trans	144.4	90.4	163.1	0	0	0	0	0	114.5
630	L	29.9	Very low	27.2	Very low	171 Å²	171	156.2 Å²	156.2	90%	0.895	81%	0.81	S	S	*	*			trans	175.3	71.6	145.6	-97.6	142.8	0	0	0	107.2
631	K	26.8	Very low	27.1	Very low	195 Å²	195	156.8 Å²	156.8	85%	0.848	80%	0.803	S	S	*	*				55.9	101.5	98.7	-68.6	-173.3	178.9	177.4	0	113.3
632	S	24.2	Very low	27.2	Very low	85 Å²	85	155.8 Å²	155.8	59%	0.594	79%	0.788	S	S	*	*			trans	69.7	89.9	138.3	-175.3	0	0	0	0	118.1
633	W	25.1	Very low	27.1	Very low	272 Å²	272	148.6 Å²	148.6	100%	1.03	77%	0.773	S	S	*	*			trans	-105.2	87.1	136.1	-80.4	41.5	0	0	0	107.7
634	K	26.3	Very low	27.4	Very low	171 Å²	171	145.3 Å²	145.3	74%	0.743	75%	0.749	S	S	*	*			trans	-75.8	139.8	169.1	-90.2	-178.9	173.6	176.7	0	109
635	K	26	Very low	28	Very low	190 Å²	190	143.4 Å²	143.4	83%	0.826	73%	0.729	S	S	*	*			trans	71.9	125.6	162.3	-61.1	172.4	175.1	-177	0	113.6
636	D	26.5	Very low	28.8	Very low	149 Å²	149	139.2 Å²	139.2	80%	0.797	71%	0.706	S	S	*	*			cis	-137.4	120.2	44.9	-80.1	-46.6	0	0	0	113.7	K638	D636-K638 PolarHBondContact O-N 3.27Å
637	K	28.9	Very low	29.5	Very low	210 Å²	210	138.7 Å²	138.7	91%	0.913	70%	0.7	S	S	*	*			trans	-75.3	71.5	162.2	-78	-174.7	172.3	-172.7	0	109.3
638	K	27	Very low	30.3	Very low	177 Å²	177	133.5 Å²	133.5	77%	0.77	68%	0.676	S	S	*	*			trans	-156.3	86.6	166.4	-77.2	-166	178.7	175.7	0	108.8	D636	D636-K638 PolarHBondContact O-N 3.27Å
639	H	29.1	Very low	31.5	Very low	142 Å²	142	125.1 Å²	125.1	66%	0.657	64%	0.638	S	S	*	*			trans	164.7	88.4	150.2	-85.5	-52	0	0	0	107.5	E641	H639-E641 HydrophobicContact CB-CG 4.44Å; H639-E641 PolarHBondContact O-N 3.22Å
640	G	25.9	Very low	32.3	Very low	87 Å²	87	125.4 Å²	125.4	90%	0.897	63%	0.628	S	S	*	*			trans	-70.8	81.8	163.1	0	0	0	0	0	108.4	Y642	G640-Y642 PolarHBondContact O-N 2.87Å
641	E	29.1	Very low	33.1	Very low	152 Å²	152	122.8 Å²	122.8	71%	0.71	62%	0.615	S	S	*	*			trans	-75.1	102.1	170.9	-78.4	-179.3	166.7	0	0	108.3	H639 C643	H639-E641 HydrophobicContact CB-CG 4.44Å; H639-E641 PolarHBondContact O-N 3.22Å; E641-C643 PolarHBondContact O-N 2.91Å; E641-C643 PolarHBondContact O-SG 2.89Å; E641-C643 VanDerWaalsContact O-SG 3.4Å
642	Y	29.1	Very low	33.9	Very low	135 Å²	135	120.1 Å²	120.1	53%	0.529	61%	0.61	S	S	.	*			trans	-46.6	120.5	166.4	-178.5	-107.6	0	0	0	109	G640 P644	G640-Y642 PolarHBondContact O-N 2.87Å; Y642-P644 HydrophobicContact CD1-CB 4.16Å; Y642-P644 HydrophobicContact CD1-CG 4.08Å; Y642-P644 HydrophobicContact CE1-CB 3.62Å; Y642-P644 HydrophobicContact CE1-CG 3.99Å; Y642-P644 WeakPolarHBondContact O-CD 3.41Å
643	C	27.2	Very low	35.1	Very low	82 Å²	82	119.4 Å²	119.4	55%	0.554	60%	0.597	S	S	*	*			trans	-111	90.9	-176.5	-87.8	0	0	0	0	107.1	E641 F645	E641-C643 PolarHBondContact O-N 2.91Å; E641-C643 PolarHBondContact O-SG 2.89Å; E641-C643 VanDerWaalsContact O-SG 3.4Å; C643-F645 VanDerWaalsContact C-CD2 3.44Å; C643-F645 HydrophobicContact CB-CD2 3.53Å; C643-F645 HydrophobicContact CB-CE2 3.63Å; C643-F645 PolarHBondContact O-N 2.84Å
644	P	32.3	Very low	36.3	Very low	33 Å²	33	109 Å²	109	21%	0.214	56%	0.562	C	S	.	*			trans	-77.4	43.7	-174.7	24.9	-19.6	0	0	0	112.5	Y642 M673	Y642-P644 HydrophobicContact CD1-CB 4.16Å; Y642-P644 HydrophobicContact CD1-CG 4.08Å; Y642-P644 HydrophobicContact CE1-CB 3.62Å; Y642-P644 HydrophobicContact CE1-CG 3.99Å; Y642-P644 WeakPolarHBondContact O-CD 3.41Å; P644-M673 VanDerWaalsContact O-CE 3.31Å; P644-M673 WeakPolarHBondContact O-CE 3.33Å
645	F	39.6	Very low	37	Very low	58 Å²	58	107.7 Å²	107.7	25%	0.254	56%	0.558	S	S	.	*	S	Bend	trans	-94.6	114.8	-177	-53.7	-87.9	0	0	0	109.6	C643 V647 I674	C643-F645 VanDerWaalsContact C-CD2 3.44Å; C643-F645 HydrophobicContact CB-CD2 3.53Å; C643-F645 HydrophobicContact CB-CE2 3.63Å; C643-F645 PolarHBondContact O-N 2.84Å; F645-V647 VanDerWaalsContact C-N 3.31Å; F645-V647 PolarHBondContact O-N 3.21Å; F645-V647 VanDerWaalsContact O-N 3.13Å; F645-I674 HydrophobicContact CE1-CB 4.24Å; F645-I674 HydrophobicContact CE1-CD1 3.71Å; F645-I674 HydrophobicContact CE1-CG1 3.87Å; F645-I674 HydrophobicContact CZ-CD1 3.36Å; F645-I674 HydrophobicContact CZ-CG1 3.71Å
646	L	44.3	Very low	38.1	Very low	74 Å²	74	101.4 Å²	101.4	39%	0.387	54%	0.539	S	S	.	.	S	Bend	trans	65.4	12.6	161.7	-62.4	166.5	0	0	0	118.4	I453 I501 F503 P648	I453-L646 HydrophobicContact CG2-CD2 4.2Å; I501-L646 HydrophobicContact CD1-CD1 3.46Å; I501-L646 VanDerWaalsContact CD1-CD1 3.46Å; I501-L646 HydrophobicContact CD1-CG 4Å; I501-L646 HydrophobicContact CG1-CD1 4.06Å; I501-L646 HydrophobicContact CG2-CD1 4.08Å; F503-L646 HydrophobicContact CE1-CD1 4.21Å; F503-L646 HydrophobicContact CZ-CD1 3.82Å; L646-P648 WeakPolarHBondContact O-CD 3.49Å
647	V	40.7	Very low	39.3	Very low	102 Å²	102	97.6 Å²	97.6	62%	0.618	52%	0.524	S	S	*	.			trans	-81.5	122.6	168.8	-165.4	0	0	0	0	107.6	F645 V649	F645-V647 VanDerWaalsContact C-N 3.31Å; F645-V647 PolarHBondContact O-N 3.21Å; F645-V647 VanDerWaalsContact O-N 3.13Å; V647-V649 PolarHBondContact O-N 3.49Å
648	P	46.3	Very low	41	Very low	61 Å²	61	93.9 Å²	93.9	40%	0.396	51%	0.514	S	S	.	.			trans	-49.7	136.3	164.4	-19.6	30.8	0	0	0	107.8	M558 L563 L646 P650	M558-P648 HydrophobicContact CE-CG 3.76Å; L563-P648 HydrophobicContact CD2-CG 4.21Å; L646-P648 WeakPolarHBondContact O-CD 3.49Å; P648-P650 VanDerWaalsContact O-N 3.09Å
649	V	51.1	Low	43.2	Very low	18 Å²	18	87.3 Å²	87.3	11%	0.109	49%	0.487	C	S	.	.			trans	-45.7	123.9	-179.9	-179.7	0	0	0	0	108	V647 D651 L654 W663	V647-V649 PolarHBondContact O-N 3.49Å; V649-D651 PolarHBondContact O-N 3.14Å; V649-L654 HydrophobicContact CB-CD1 3.76Å; V649-L654 HydrophobicContact CB-CG 4.15Å; V649-L654 HydrophobicContact CG1-CD1 3.79Å; V649-L654 HydrophobicContact CG1-CD2 4.16Å; V649-L654 HydrophobicContact CG1-CG 3.64Å; V649-L654 WeakPolarHBondContact O-CD1 3.41Å; V649-W663 HydrophobicContact CG1-CB 4.5Å; V649-W663 HydrophobicContact CG1-CD2 4.22Å; V649-W663 HydrophobicContact CG1-CG 4.09Å; V649-W663 HydrophobicContact CG2-CD2 4.24Å; V649-W663 HydrophobicContact CG2-CE3 4.29Å; V649-W663 HydrophobicContact CG2-CH2 4.21Å; V649-W663 HydrophobicContact CG2-CZ2 4.15Å; V649-W663 HydrophobicContact CG2-CZ3 4.31Å
650	P	43.7	Very low	45.3	Very low	69 Å²	69	82 Å²	82	45%	0.448	47%	0.465	S	S	.	.			trans	-55.1	128.5	-175.8	-23.4	31.4	0	0	0	109.7	P648 N652 E653 L654	P648-P650 VanDerWaalsContact O-N 3.09Å; P650-N652 PolarHBondContact O-N 2.84Å; P650-E653 PolarHBondContact O-N 3.11Å; P650-L654 PolarHBondContact O-N 3.31Å
651	D	45.9	Very low	47.8	Very low	116 Å²	116	77.9 Å²	77.9	62%	0.62	42%	0.422	S	S	*	.	H	α-helix	trans	-53.2	-30.1	-176.9	-71.9	-37.9	0	0	0	112.3	V649 E653 L654 Q655	V649-D651 PolarHBondContact O-N 3.14Å; D651-E653 VanDerWaalsContact C-N 3.33Å; D651-E653 PolarHBondContact O-N 2.8Å; D651-L654 PolarHBondContact O-N 2.81Å; D651-Q655 VanDerWaalsContact O-CG 3.29Å; D651-Q655 WeakPolarHBondContact O-CG 3.47Å; D651-Q655 PolarHBondContact O-N 3.4Å
652	N	43.8	Very low	50	Low	140 Å²	140	72.1 Å²	72.1	75%	0.749	40%	0.401	S	S	*	.	H	α-helix	trans	-66.3	-26.3	178	-71.6	-3.9	0	0	0	114.3	P650	P650-N652 PolarHBondContact O-N 2.84Å
653	E	48.9	Very low	52.3	Low	69 Å²	69	66.3 Å²	66.3	32%	0.322	38%	0.378	S	S	.	.	H	α-helix	trans	-91.7	-15.6	175.7	-67.2	-165.9	153.3	0	0	112.7	P650 D651 Q655 K666	P650-E653 PolarHBondContact O-N 3.11Å; D651-E653 VanDerWaalsContact C-N 3.33Å; D651-E653 PolarHBondContact O-N 2.8Å; E653-Q655 VanDerWaalsContact C-N 3.34Å; E653-K666 IonicContact OE1-NZ 3.18Å; E653-K666 PolarHBondContact OE1-NZ 3.02Å
654	L	49.7	Very low	54.8	Low	54 Å²	54	62.6 Å²	62.6	28%	0.283	35%	0.352	S	S	.	.	H	α-helix	trans	-80.5	-16	174	-79.2	156.4	0	0	0	113.2	I446 V649 P650 D651	I446-L654 HydrophobicContact CD1-CD2 3.23Å; I446-L654 HydrophobicContact CG1-CD2 4.18Å; V649-L654 HydrophobicContact CB-CD1 3.76Å; V649-L654 HydrophobicContact CB-CG 4.15Å; V649-L654 HydrophobicContact CG1-CD1 3.79Å; V649-L654 HydrophobicContact CG1-CD2 4.16Å; V649-L654 HydrophobicContact CG1-CG 3.64Å; V649-L654 WeakPolarHBondContact O-CD1 3.41Å; P650-L654 PolarHBondContact O-N 3.31Å; D651-L654 PolarHBondContact O-N 2.81Å
655	Q	42.6	Very low	56.9	Low	143 Å²	143	61.7 Å²	61.7	67%	0.668	35%	0.346	S	S	*	.			trans	-92.6	-3.6	-173.7	-75.2	175.5	21.8	0	0	114.6	D651 E653 S657	D651-Q655 VanDerWaalsContact O-CG 3.29Å; D651-Q655 WeakPolarHBondContact O-CG 3.47Å; D651-Q655 PolarHBondContact O-N 3.4Å; E653-Q655 VanDerWaalsContact C-N 3.34Å; Q655-S657 PolarHBondContact O-N 3.43Å
656	S	48.1	Very low	58.5	Low	59 Å²	59	63.5 Å²	63.5	41%	0.413	35%	0.354	S	S	.	.			trans	-69.2	106.7	171.5	60.9	0	0	0	0	109.1	D658 D659	S656-D658 PolarHBondContact O-N 3.49Å; S656-D659 PolarHBondContact OG-O 2.8Å
657	S	52.1	Low	59.8	Low	69 Å²	69	61 Å²	61	48%	0.483	34%	0.34	S	S	.	.	S	Bend	trans	-55.8	-23.4	-174.9	53.5	0	0	0	0	114.2	K375 Q655	K375-S657 WeakPolarHBondContact CD-O 3.34Å; K375-S657 WeakPolarHBondContact CE-O 3.44Å; K375-S657 PolarHBondContact NZ-O 2.87Å; Q655-S657 PolarHBondContact O-N 3.43Å
658	D	63.5	Low	61.3	Low	132 Å²	132	56.4 Å²	56.4	71%	0.706	31%	0.312	S	S	*	.	S	Bend	trans	-94.5	-35.6	-164.3	-55.2	-19.4	0	0	0	111.5	S656	S656-D658 PolarHBondContact O-N 3.49Å
659	D	73.4	Confident	62.4	Low	38 Å²	38	55.8 Å²	55.8	20%	0.203	31%	0.312	C	S	.	.			trans	-140.3	94.3	-179.5	-169.1	-4.1	0	0	0	114.2	S656 V661 A662 R888	S656-D659 PolarHBondContact OG-O 2.8Å; D659-V661 PolarHBondContact O-N 3.24Å; D659-V661 WeakPolarHBondContact OD1-CG2 3.45Å; D659-V661 PolarHBondContact OD1-N 3.38Å; D659-V661 VanDerWaalsContact OD1-N 3.1Å; D659-A662 HydrophobicContact CB-CB 4.33Å; D659-A662 PolarHBondContact OD1-N 3.36Å; D659-R888 IonicContact OD1-NH1 3.95Å; D659-R888 IonicContact OD1-NH2 3.67Å; D659-R888 IonicContact OD2-CZ 2.85Å; D659-R888 IonicContact OD2-NH1 3.68Å; D659-R888 PolarHBondContact OD2-NH1 3.18Å; D659-R888 IonicContact OD2-NH2 2.76Å; D659-R888 PolarHBondContact OD2-NH2 3.15Å
660	P	73.5	Confident	63	Low	31 Å²	31	61.9 Å²	61.9	20%	0.201	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-4.7	-177.8	32.6	-35.8	0	0	0	114	I378 W663	I378-P660 HydrophobicContact CD1-CG 4.24Å; P660-W663 VanDerWaalsContact O-CD1 3.24Å; P660-W663 PolarHBondContact O-NE1 3.03Å; P660-W663 VanDerWaalsContact O-NE1 3.1Å
661	V	78.5	Confident	63.6	Low	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	2.7	179.4	-68.9	0	0	0	0	113.1	I378 L380 W420 P445 D659 W663 L664 P683	I378-V661 HydrophobicContact CD1-CG2 3.99Å; I378-V661 HydrophobicContact CG2-CG2 3.74Å; L380-V661 HydrophobicContact CD2-CG1 4.39Å; W420-V661 HydrophobicContact CH2-CG1 3.64Å; W420-V661 HydrophobicContact CZ3-CG1 3.92Å; P445-V661 HydrophobicContact CG-CG1 4.32Å; D659-V661 PolarHBondContact O-N 3.24Å; D659-V661 WeakPolarHBondContact OD1-CG2 3.45Å; D659-V661 PolarHBondContact OD1-N 3.38Å; D659-V661 VanDerWaalsContact OD1-N 3.1Å; V661-W663 PolarHBondContact O-N 2.84Å; V661-W663 VanDerWaalsContact O-N 3.13Å; V661-L664 HydrophobicContact CB-CD1 4.06Å; V661-L664 HydrophobicContact CG1-CD1 3.99Å; V661-L664 VanDerWaalsContact O-CB 3.3Å; V661-L664 WeakPolarHBondContact O-CB 3.33Å; V661-L664 PolarHBondContact O-N 3.12Å; V661-P683 HydrophobicContact CB-CG 4.26Å; V661-P683 HydrophobicContact CG2-CG 4.4Å
662	A	76.6	Confident	64.3	Low	31 Å²	31	54.9 Å²	54.9	26%	0.256	30%	0.297	S	S	.	.	H	α-helix	trans	-55.9	-30.8	177.4	0	0	0	0	0	113.7	D659 L664 D665 K666	D659-A662 HydrophobicContact CB-CB 4.33Å; D659-A662 PolarHBondContact OD1-N 3.36Å; A662-L664 VanDerWaalsContact C-N 3.29Å; A662-L664 PolarHBondContact O-N 3.32Å; A662-D665 PolarHBondContact O-N 3.01Å; A662-K666 PolarHBondContact O-N 3.05Å
663	W	76	Confident	64.8	Low	13 Å²	13	48.8 Å²	48.8	5%	0.049	26%	0.264	C	S	.	.	H	α-helix	trans	-66.7	-29.1	175.3	68.5	-93.1	0	0	0	112.9	P445 I446 V649 P660 V661 K666 E667	P445-W663 HydrophobicContact CB-CH2 4.3Å; P445-W663 HydrophobicContact CB-CZ2 3.9Å; I446-W663 HydrophobicContact CG1-CZ2 4.01Å; V649-W663 HydrophobicContact CG1-CB 4.5Å; V649-W663 HydrophobicContact CG1-CD2 4.22Å; V649-W663 HydrophobicContact CG1-CG 4.09Å; V649-W663 HydrophobicContact CG2-CD2 4.24Å; V649-W663 HydrophobicContact CG2-CE3 4.29Å; V649-W663 HydrophobicContact CG2-CH2 4.21Å; V649-W663 HydrophobicContact CG2-CZ2 4.15Å; V649-W663 HydrophobicContact CG2-CZ3 4.31Å; P660-W663 VanDerWaalsContact O-CD1 3.24Å; P660-W663 PolarHBondContact O-NE1 3.03Å; P660-W663 VanDerWaalsContact O-NE1 3.1Å; V661-W663 PolarHBondContact O-N 2.84Å; V661-W663 VanDerWaalsContact O-N 3.13Å; W663-K666 PolarHBondContact O-N 3.28Å; W663-E667 WeakPolarHBondContact CZ3-OE2 3.27Å; W663-E667 PolarHBondContact O-N 3.03Å; W663-E667 VanDerWaalsContact O-N 3.1Å
664	L	79.5	Confident	64.9	Low	4 Å²	4	50.4 Å²	50.4	2%	0.021	27%	0.274	C	S	.	.	H	α-helix	trans	-66.3	-41.9	174	-71.8	168.2	0	0	0	110.3	P445 V661 A662 K666 E667 V668 P683	P445-L664 HydrophobicContact CB-CD1 3.86Å; P445-L664 HydrophobicContact CG-CD1 3.89Å; V661-L664 HydrophobicContact CB-CD1 4.06Å; V661-L664 HydrophobicContact CG1-CD1 3.99Å; V661-L664 VanDerWaalsContact O-CB 3.3Å; V661-L664 WeakPolarHBondContact O-CB 3.33Å; V661-L664 PolarHBondContact O-N 3.12Å; A662-L664 VanDerWaalsContact C-N 3.29Å; A662-L664 PolarHBondContact O-N 3.32Å; L664-K666 VanDerWaalsContact C-N 3.31Å; L664-K666 PolarHBondContact O-N 3.01Å; L664-E667 WeakPolarHBondContact O-CB 3.25Å; L664-E667 PolarHBondContact O-N 3.09Å; L664-E667 VanDerWaalsContact O-N 3.09Å; L664-V668 WeakPolarHBondContact O-CB 3.4Å; L664-V668 WeakPolarHBondContact O-CG2 3.43Å; L664-V668 PolarHBondContact O-N 2.85Å; L664-P683 HydrophobicContact CB-CG 3.66Å; L664-P683 HydrophobicContact CD1-CG 4.24Å
665	D	76.2	Confident	65.3	Low	14 Å²	14	49.7 Å²	49.7	8%	0.075	27%	0.269	C	S	.	.	H	α-helix	trans	-59.5	-43.1	176.8	-74.4	-44.3	0	0	0	112.1	A662 E667 V668 A669 P683 R888	A662-D665 PolarHBondContact O-N 3.01Å; D665-E667 VanDerWaalsContact C-N 3.28Å; D665-E667 PolarHBondContact O-N 2.91Å; D665-V668 PolarHBondContact O-N 3.39Å; D665-A669 WeakPolarHBondContact O-CB 3.36Å; D665-A669 PolarHBondContact O-N 3.41Å; D665-P683 WeakPolarHBondContact OD1-CB 3.42Å; D665-R888 IonicContact OD1-NE 3.3Å; D665-R888 IonicContact OD2-CZ 3.47Å; D665-R888 IonicContact OD2-NE 2.95Å; D665-R888 PolarHBondContact OD2-NE 2.96Å; D665-R888 IonicContact OD2-NH2 3.83Å; D665-R888 PolarHBondContact OD2-NH2 3.19Å
666	K	73.7	Confident	66.4	Low	96 Å²	96	48.4 Å²	48.4	42%	0.417	26%	0.259	S	S	.	.	H	α-helix	trans	-60.3	-40.5	175.2	-70.6	174.6	176.3	168	0	111.7	E653 A662 W663 L664 R670	E653-K666 IonicContact OE1-NZ 3.18Å; E653-K666 PolarHBondContact OE1-NZ 3.02Å; A662-K666 PolarHBondContact O-N 3.05Å; W663-K666 PolarHBondContact O-N 3.28Å; L664-K666 VanDerWaalsContact C-N 3.31Å; L664-K666 PolarHBondContact O-N 3.01Å; K666-R670 WeakPolarHBondContact O-CB 3.15Å; K666-R670 VanDerWaalsContact O-CG 3.24Å; K666-R670 WeakPolarHBondContact O-CG 3.34Å; K666-R670 PolarHBondContact O-N 3.46Å
667	E	72.6	Confident	67.2	Low	23 Å²	23	47.4 Å²	47.4	11%	0.107	25%	0.252	C	S	.	.	H	α-helix	trans	-69.1	-42.7	179.3	-164.7	-177.8	135.5	0	0	112.2	R449 W663 L664 D665 G671 M673	R449-E667 IonicContact CZ-OE1 2.8Å; R449-E667 IonicContact CZ-OE2 3.65Å; R449-E667 VanDerWaalsContact CZ-OE2 3.26Å; R449-E667 IonicContact NH1-OE2 3.51Å; R449-E667 PolarHBondContact NH1-OE2 3.14Å; R449-E667 IonicContact NH2-OE1 3.43Å; R449-E667 PolarHBondContact NH2-OE1 3.07Å; R449-E667 IonicContact NH2-OE2 3.51Å; R449-E667 PolarHBondContact NH2-OE2 3.39Å; W663-E667 WeakPolarHBondContact CZ3-OE2 3.27Å; W663-E667 PolarHBondContact O-N 3.03Å; W663-E667 VanDerWaalsContact O-N 3.1Å; L664-E667 WeakPolarHBondContact O-CB 3.25Å; L664-E667 PolarHBondContact O-N 3.09Å; L664-E667 VanDerWaalsContact O-N 3.09Å; D665-E667 VanDerWaalsContact C-N 3.28Å; D665-E667 PolarHBondContact O-N 2.91Å; E667-G671 PolarHBondContact O-N 2.95Å; E667-M673 WeakPolarHBondContact OE1-CG 3.4Å
668	V	71.7	Confident	68.1	Low	5 Å²	5	44.8 Å²	44.8	3%	0.03	23%	0.233	C	C	.	.	H	α-helix	trans	-62.3	-48.5	176	175.9	0	0	0	0	110	L664 D665 R670 G671 Y672 E682 Y889	L664-V668 WeakPolarHBondContact O-CB 3.4Å; L664-V668 WeakPolarHBondContact O-CG2 3.43Å; L664-V668 PolarHBondContact O-N 2.85Å; D665-V668 PolarHBondContact O-N 3.39Å; V668-R670 PolarHBondContact O-N 3.38Å; V668-G671 PolarHBondContact O-N 3.26Å; V668-G671 VanDerWaalsContact O-N 3.08Å; V668-Y672 HydrophobicContact CB-CE1 4.31Å; V668-Y672 HydrophobicContact CB-CE2 4.38Å; V668-Y672 HydrophobicContact CG1-CE1 4.33Å; V668-Y672 HydrophobicContact CG1-CE2 3.67Å; V668-Y672 WeakPolarHBondContact CG1-OH 3.46Å; V668-Y672 HydrophobicContact CG2-CE1 3.65Å; V668-Y672 HydrophobicContact CG2-CE2 4.48Å; V668-Y672 WeakPolarHBondContact CG2-OH 3.49Å; V668-E682 HydrophobicContact CG1-CG 4.42Å; V668-E682 WeakPolarHBondContact CG1-OE1 3.24Å; V668-E682 HydrophobicContact CG2-CG 4.28Å; V668-Y889 HydrophobicContact CB-CD1 4.25Å; V668-Y889 HydrophobicContact CB-CE1 4.19Å; V668-Y889 HydrophobicContact CG1-CD1 3.59Å; V668-Y889 HydrophobicContact CG1-CE1 3.12Å
669	A	68.6	Low	68.7	Low	48 Å²	48	39.3 Å²	39.3	40%	0.397	20%	0.202	S	C	.	.	H	α-helix	trans	-64.6	-38.3	-178.7	0	0	0	0	0	112.9	D665 G671 Y889	D665-A669 WeakPolarHBondContact O-CB 3.36Å; D665-A669 PolarHBondContact O-N 3.41Å; A669-G671 PolarHBondContact O-N 2.93Å; A669-Y889 HydrophobicContact CB-CD2 3.81Å; A669-Y889 HydrophobicContact CB-CE2 4.15Å; A669-Y889 HydrophobicContact CB-CG 4.23Å
670	R	65.2	Low	69.2	Low	146 Å²	146	37.7 Å²	37.7	55%	0.551	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-5.9	175.4	-73.4	178.7	-176	172.5	5.8	113.4	K666 V668	K666-R670 WeakPolarHBondContact O-CB 3.15Å; K666-R670 VanDerWaalsContact O-CG 3.24Å; K666-R670 WeakPolarHBondContact O-CG 3.34Å; K666-R670 PolarHBondContact O-N 3.46Å; V668-R670 PolarHBondContact O-N 3.38Å
671	G	56.5	Low	70	Confident	25 Å²	25	36.3 Å²	36.3	26%	0.258	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	102.7	-176.1	0	0	0	0	0	109.6	E667 V668 A669	E667-G671 PolarHBondContact O-N 2.95Å; V668-G671 PolarHBondContact O-N 3.26Å; V668-G671 VanDerWaalsContact O-N 3.08Å; A669-G671 PolarHBondContact O-N 2.93Å
672	Y	60.1	Low	70.5	Confident	12 Å²	12	36.3 Å²	36.3	5%	0.047	18%	0.184	C	C	.	.			trans	-21.1	144.9	175.9	-71.9	-79.4	0	0	0	117.2	L383 V668 E682 W855	L383-Y672 HydrophobicContact CD1-CE1 3.64Å; V668-Y672 HydrophobicContact CB-CE1 4.31Å; V668-Y672 HydrophobicContact CB-CE2 4.38Å; V668-Y672 HydrophobicContact CG1-CE1 4.33Å; V668-Y672 HydrophobicContact CG1-CE2 3.67Å; V668-Y672 WeakPolarHBondContact CG1-OH 3.46Å; V668-Y672 HydrophobicContact CG2-CE1 3.65Å; V668-Y672 HydrophobicContact CG2-CE2 4.48Å; V668-Y672 WeakPolarHBondContact CG2-OH 3.49Å; Y672-E682 WeakPolarHBondContact OH-CB 3.4Å; Y672-E682 VanDerWaalsContact OH-CG 3.29Å; Y672-E682 WeakPolarHBondContact OH-CG 3.4Å; Y672-E682 PolarHBondContact OH-OE1 3.46Å; Y672-W855 AromaticContact CD2-CZ2 3.85Å; Y672-W855 HydrophobicContact CD2-CZ2 3.85Å; Y672-W855 AromaticContact CD2-NE1 3.64Å; Y672-W855 AromaticContact CE2-NE1 3.42Å
673	M	54.3	Low	71.1	Confident	13 Å²	13	34.9 Å²	34.9	6%	0.064	17%	0.172	C	C	.	.			trans	-41.4	141.8	171.1	-54.4	-173.9	86.5	0	0	111.6	R449 P644 E667 H675 L678 W679	R449-M673 PolarHBondContact NH2-SD 2.85Å; P644-M673 VanDerWaalsContact O-CE 3.31Å; P644-M673 WeakPolarHBondContact O-CE 3.33Å; E667-M673 WeakPolarHBondContact OE1-CG 3.4Å; M673-H675 PolarHBondContact O-N 3.36Å; M673-L678 HydrophobicContact CE-CB 4Å; M673-L678 HydrophobicContact CE-CD1 3.44Å; M673-L678 VanDerWaalsContact CE-CD1 3.44Å; M673-L678 HydrophobicContact CE-CG 4.27Å; M673-L678 HydrophobicContact SD-CB 3.35Å; M673-L678 WeakPolarHBondContact SD-CB 3.36Å; M673-L678 HydrophobicContact SD-CD1 3.98Å; M673-L678 HydrophobicContact SD-CG 4.25Å; M673-W679 PolarHBondContact O-NE1 2.92Å
674	I	49.9	Very low	71.9	Confident	103 Å²	103	34.4 Å²	34.4	53%	0.528	17%	0.171	S	C	.	.	S	Bend	trans	-50.1	-33.2	-176.7	-65.3	-168.2	0	0	0	112.3	F645	F645-I674 HydrophobicContact CE1-CB 4.24Å; F645-I674 HydrophobicContact CE1-CD1 3.71Å; F645-I674 HydrophobicContact CE1-CG1 3.87Å; F645-I674 HydrophobicContact CZ-CD1 3.36Å; F645-I674 HydrophobicContact CZ-CG1 3.71Å
675	H	58.7	Low	72.4	Confident	39 Å²	39	35.2 Å²	35.2	18%	0.181	18%	0.178	C	C	.	.	S	Bend	trans	-119.3	127.7	-171.9	-163	-94.6	0	0	0	113.5	L499 M673 S677 L678	L499-H675 HydrophobicContact CD2-CB 3.09Å; L499-H675 VanDerWaalsContact CD2-CD2 3.49Å; L499-H675 WeakPolarHBondContact CD2-CD2 3.32Å; M673-H675 PolarHBondContact O-N 3.36Å; H675-S677 PolarHBondContact CE1-OG 3.29Å; H675-S677 VanDerWaalsContact CE1-OG 3.32Å; H675-S677 VanDerWaalsContact ND1-CB 3.32Å; H675-S677 WeakPolarHBondContact ND1-CB 3.25Å; H675-S677 PolarHBondContact ND1-N 2.86Å; H675-S677 PolarHBondContact ND1-OG 3.41Å; H675-S677 PolarHBondContact O-N 2.8Å; H675-S677 VanDerWaalsContact O-N 3.12Å; H675-L678 PolarHBondContact O-N 3.33Å
676	Y	65	Low	73.1	Confident	116 Å²	116	39.3 Å²	39.3	46%	0.455	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-58.8	-26.3	-175.4	63.6	-87.9	0	0	0	114.2	L678 W679	Y676-L678 PolarHBondContact O-N 2.94Å; Y676-W679 WeakPolarHBondContact O-CB 3.16Å; Y676-W679 PolarHBondContact O-N 3Å
677	S	66	Low	73.9	Confident	38 Å²	38	35.2 Å²	35.2	27%	0.266	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-68.5	-15.6	-179.1	75.7	0	0	0	0	114.4	A452 L456 H675	A452-S677 VanDerWaalsContact CB-O 3.3Å; A452-S677 WeakPolarHBondContact CB-O 3.34Å; L456-S677 WeakPolarHBondContact CD2-OG 3.31Å; H675-S677 PolarHBondContact CE1-OG 3.29Å; H675-S677 VanDerWaalsContact CE1-OG 3.32Å; H675-S677 VanDerWaalsContact ND1-CB 3.32Å; H675-S677 WeakPolarHBondContact ND1-CB 3.25Å; H675-S677 PolarHBondContact ND1-N 2.86Å; H675-S677 PolarHBondContact ND1-OG 3.41Å; H675-S677 PolarHBondContact O-N 2.8Å; H675-S677 VanDerWaalsContact O-N 3.12Å
678	L	70.6	Confident	74.8	Confident	14 Å²	14	39.7 Å²	39.7	7%	0.073	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-95.5	-3.1	179.8	-68	170.8	0	0	0	112.6	A452 I453 L456 M673 H675 Y676	A452-L678 HydrophobicContact CB-CD2 4.09Å; I453-L678 HydrophobicContact CG1-CD2 3.75Å; L456-L678 HydrophobicContact CD1-CD1 4.19Å; L456-L678 HydrophobicContact CD1-CD2 3.37Å; L456-L678 HydrophobicContact CD1-CG 3.71Å; M673-L678 HydrophobicContact CE-CB 4Å; M673-L678 HydrophobicContact CE-CD1 3.44Å; M673-L678 VanDerWaalsContact CE-CD1 3.44Å; M673-L678 HydrophobicContact CE-CG 4.27Å; M673-L678 HydrophobicContact SD-CB 3.35Å; M673-L678 WeakPolarHBondContact SD-CB 3.36Å; M673-L678 HydrophobicContact SD-CD1 3.98Å; M673-L678 HydrophobicContact SD-CG 4.25Å; H675-L678 PolarHBondContact O-N 3.33Å; Y676-L678 PolarHBondContact O-N 2.94Å
679	W	75.3	Confident	75.5	Confident	17 Å²	17	40.6 Å²	40.6	6%	0.064	21%	0.208	C	C	.	.			trans	-74.4	143	178.4	-59.9	-17	0	0	0	111	L383 M673 Y676 H854	L383-W679 HydrophobicContact CB-CB 3.85Å; L383-W679 HydrophobicContact CD1-CB 3.95Å; L383-W679 HydrophobicContact CD1-CG 4.44Å; M673-W679 PolarHBondContact O-NE1 2.92Å; Y676-W679 WeakPolarHBondContact O-CB 3.16Å; Y676-W679 PolarHBondContact O-N 3Å; W679-H854 AromaticContact CE3-CD2 3.78Å; W679-H854 AromaticContact CE3-CE1 3.94Å; W679-H854 AromaticContact CE3-CG 3.88Å; W679-H854 AromaticContact CE3-ND1 3.94Å; W679-H854 AromaticContact CE3-NE2 3.81Å; W679-H854 AromaticContact CH2-CE1 2.98Å; W679-H854 WeakPolarHBondContact CH2-CE1 3.47Å; W679-H854 AromaticContact CH2-ND1 3.68Å; W679-H854 AromaticContact CH2-NE2 3.18Å; W679-H854 WeakPolarHBondContact CH2-NE2 3.33Å; W679-H854 AromaticContact CZ2-NE2 3.82Å; W679-H854 AromaticContact CZ3-CD2 3.56Å; W679-H854 AromaticContact CZ3-CE1 2.95Å; W679-H854 WeakPolarHBondContact CZ3-CE1 2.95Å; W679-H854 AromaticContact CZ3-CG 3.53Å; W679-H854 AromaticContact CZ3-ND1 3.11Å; W679-H854 WeakPolarHBondContact CZ3-ND1 3.25Å; W679-H854 AromaticContact CZ3-NE2 3.2Å; W679-H854 WeakPolarHBondContact CZ3-NE2 3.4Å
680	T	84.4	Confident	76.3	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.018	21%	0.211	C	C	.	.			trans	-122.4	-81.1	-176.8	59.5	0	0	0	0	109.4	L383 F384 P445 Q448 R449	L383-T680 PolarHBondContact N-O 3.36Å; L383-T680 VanDerWaalsContact N-O 3.11Å; F384-T680 WeakPolarHBondContact CD1-O 3.49Å; F384-T680 VanDerWaalsContact CE1-O 3.22Å; F384-T680 WeakPolarHBondContact CE1-O 3.43Å; P445-T680 WeakPolarHBondContact O-CG2 3.45Å; Q448-T680 HydrophobicContact CB-CG2 3.83Å; Q448-T680 HydrophobicContact CG-CG2 3.65Å; R449-T680 HydrophobicContact CB-CG2 4.06Å
681	Y	90	Very high	77	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.008	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	149.5	-177.2	-59.1	-77.5	0	0	0	110.5	L380 R381 F384 F403 I409 I442 P443 P445	L380-Y681 HydrophobicContact CB-CD1 4.31Å; L380-Y681 HydrophobicContact CD1-CD1 4.3Å; L380-Y681 HydrophobicContact CD1-CD2 4.46Å; L380-Y681 HydrophobicContact CD1-CG 4.01Å; R381-Y681 WeakPolarHBondContact O-CA 3.32Å; F384-Y681 HydrophobicContact CE1-CD1 4.39Å; F384-Y681 AromaticContact CE1-CE1 3.86Å; F384-Y681 HydrophobicContact CE1-CE1 3.86Å; F384-Y681 HydrophobicContact CE1-CE2 4.02Å; F384-Y681 AromaticContact CE1-CZ 3.68Å; F384-Y681 HydrophobicContact CZ-CE1 4.25Å; F384-Y681 HydrophobicContact CZ-CE2 4.29Å; F384-Y681 AromaticContact CZ-CZ 3.78Å; F384-Y681 WeakPolarHBondContact CZ-OH 3.31Å; F403-Y681 HydrophobicContact CE2-CE1 4.2Å; F403-Y681 AromaticContact CZ-CE1 3.83Å; F403-Y681 HydrophobicContact CZ-CE1 3.83Å; F403-Y681 AromaticContact CZ-CZ 3.99Å; F403-Y681 VanDerWaalsContact CZ-OH 3.29Å; F403-Y681 WeakPolarHBondContact CZ-OH 3.49Å; I409-Y681 HydrophobicContact CD1-CD1 4.29Å; I409-Y681 HydrophobicContact CD1-CE1 3.73Å; I442-Y681 HydrophobicContact CD1-CE1 4.44Å; P443-Y681 VanDerWaalsContact O-CE2 3.26Å; P443-Y681 WeakPolarHBondContact O-CE2 3.43Å; P443-Y681 PolarHBondContact O-OH 3.22Å; P445-Y681 HydrophobicContact CB-CD2 3.98Å; P445-Y681 HydrophobicContact CG-CD2 3.72Å; P445-Y681 HydrophobicContact CG-CE2 4.35Å
682	E	88.7	Confident	78.3	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	120	168.5	177.1	172.3	-127.8	0	0	108.4	L380 R381 L383 V668 Y672 V684 R800 P887	L380-E682 CarbonylContact C-O 3.57Å; L380-E682 WeakPolarHBondContact CA-O 3.41Å; R381-E682 HydrophobicContact CB-CB 4.34Å; R381-E682 PolarHBondContact N-O 3.38Å; R381-E682 IonicContact NE-OE2 3.59Å; R381-E682 PolarHBondContact O-N 2.93Å; L383-E682 HydrophobicContact CD1-CB 4.16Å; L383-E682 HydrophobicContact CD2-CB 4.1Å; L383-E682 HydrophobicContact CG-CB 4.28Å; V668-E682 HydrophobicContact CG1-CG 4.42Å; V668-E682 WeakPolarHBondContact CG1-OE1 3.24Å; V668-E682 HydrophobicContact CG2-CG 4.28Å; Y672-E682 WeakPolarHBondContact OH-CB 3.4Å; Y672-E682 VanDerWaalsContact OH-CG 3.29Å; Y672-E682 WeakPolarHBondContact OH-CG 3.4Å; Y672-E682 PolarHBondContact OH-OE1 3.46Å; E682-V684 HydrophobicContact CG-CG1 4.36Å; E682-V684 PolarHBondContact O-N 3.18Å; E682-R800 IonicContact OE1-NH2 3.81Å; E682-R800 PolarHBondContact OE1-NH2 2.74Å; E682-R800 IonicContact OE2-NH2 2.68Å; E682-R800 PolarHBondContact OE2-NH2 3.37Å; E682-P887 HydrophobicContact CG-CB 4.21Å; E682-P887 HydrophobicContact CG-CG 4.47Å; E682-P887 WeakPolarHBondContact OE1-CB 3.45Å; E682-P887 WeakPolarHBondContact OE1-CG 3.37Å
683	P	90.8	Very high	79.5	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	131.1	170.3	-19.7	31.7	0	0	0	110.2	L380 V661 L664 D665 P887 R888	L380-P683 HydrophobicContact CD2-CB 4.28Å; L380-P683 HydrophobicContact CD2-CG 4.3Å; V661-P683 HydrophobicContact CB-CG 4.26Å; V661-P683 HydrophobicContact CG2-CG 4.4Å; L664-P683 HydrophobicContact CB-CG 3.66Å; L664-P683 HydrophobicContact CD1-CG 4.24Å; D665-P683 WeakPolarHBondContact OD1-CB 3.42Å; P683-P887 WeakPolarHBondContact O-CA 3.47Å; P683-R888 HydrophobicContact CB-CB 4.19Å; P683-R888 PolarHBondContact O-N 3.27Å
684	V	91.5	Very high	81.2	Confident	4 Å²	4	52.5 Å²	52.5	2%	0.024	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	156.2	-177	-69.4	0	0	0	0	111.4	H379 R381 I408 E682 W885 V886	H379-V684 HydrophobicContact CB-CG2 3.91Å; H379-V684 WeakPolarHBondContact CB-O 3.37Å; H379-V684 WeakPolarHBondContact O-CG2 3.24Å; H379-V684 PolarHBondContact O-N 3.23Å; R381-V684 HydrophobicContact CB-CG1 3.7Å; R381-V684 HydrophobicContact CB-CG2 4.49Å; I408-V684 HydrophobicContact CD1-CG2 4.31Å; I408-V684 HydrophobicContact CG2-CG2 4.41Å; E682-V684 HydrophobicContact CG-CG1 4.36Å; E682-V684 PolarHBondContact O-N 3.18Å; V684-W885 HydrophobicContact CB-CE3 4.1Å; V684-W885 HydrophobicContact CG2-CD2 4.47Å; V684-W885 HydrophobicContact CG2-CE3 3.72Å; V684-W885 HydrophobicContact CG2-CZ3 4.19Å; V684-V886 CarbonylContact C-O 3.55Å; V684-V886 WeakPolarHBondContact CA-O 3.26Å; V684-V886 VanDerWaalsContact CB-O 3.29Å; V684-V886 WeakPolarHBondContact CB-O 3.41Å
685	A	91.1	Very high	83.2	Confident	20 Å²	20	48.5 Å²	48.5	17%	0.165	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	161.4	172.1	0	0	0	0	0	109.5	Y687 V886 R888 L891	A685-Y687 PolarHBondContact O-N 2.92Å; A685-V886 PolarHBondContact N-O 3.33Å; A685-V886 PolarHBondContact O-N 3.48Å; A685-R888 HydrophobicContact CB-CB 4.44Å; A685-R888 HydrophobicContact CB-CG 4.45Å; A685-L891 HydrophobicContact CB-CD1 3.45Å; A685-L891 VanDerWaalsContact CB-CD1 3.45Å
686	Q	90.8	Very high	84.9	Confident	101 Å²	101	46.7 Å²	46.7	47%	0.472	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	118.8	175.7	-71.7	-172.8	0.1	0	0	110.1	P883 W885	Q686-P883 HydrophobicContact CB-CB 4.2Å; Q686-W885 HydrophobicContact CG-CD2 4.04Å; Q686-W885 HydrophobicContact CG-CE3 3.87Å; Q686-W885 HydrophobicContact CG-CH2 3.76Å; Q686-W885 HydrophobicContact CG-CZ2 3.92Å; Q686-W885 HydrophobicContact CG-CZ3 3.72Å; Q686-W885 VanDerWaalsContact NE2-CZ2 3.32Å
687	Y	90.8	Very high	86.3	Confident	9 Å²	9	41.3 Å²	41.3	4%	0.035	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	118.2	167.6	178.6	-98.1	0	0	0	109.5	A685 R695 P883 T884 V886 L891	A685-Y687 PolarHBondContact O-N 2.92Å; Y687-R695 HydrophobicContact CE1-CG 4.07Å; Y687-P883 VanDerWaalsContact O-CA 3.29Å; Y687-P883 WeakPolarHBondContact O-CA 3.27Å; Y687-T884 PolarHBondContact N-O 2.78Å; Y687-T884 PolarHBondContact O-N 3.27Å; Y687-T884 VanDerWaalsContact O-N 3.08Å; Y687-V886 HydrophobicContact CG-CG1 4.31Å; Y687-L891 HydrophobicContact CD2-CD2 3.95Å
688	I	90.1	Very high	87.7	Confident	117 Å²	117	39.5 Å²	39.5	60%	0.6	20%	0.2	S	C	*	.	P	Polyproline II helix	trans	-83	123.1	175	-60.2	171.8	0	0	0	108.3	Q690	I688-Q690 PolarHBondContact O-N 3.44Å; I688-Q690 PolarHBondContact O-NE2 2.61Å; I688-Q690 VanDerWaalsContact O-NE2 3.09Å
689	P	87.1	Confident	88.9	Confident	24 Å²	24	38.9 Å²	38.9	16%	0.156	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-56.2	133.4	-178.8	-25.5	34.4	0	0	0	112.6	L879 E880 E882	P689-L879 WeakPolarHBondContact CB-O 3.19Å; P689-L879 WeakPolarHBondContact CG-O 3.4Å; P689-E880 VanDerWaalsContact CB-O 3.3Å; P689-E880 WeakPolarHBondContact CB-O 3.44Å; P689-E882 VanDerWaalsContact CG-O 3.24Å; P689-E882 WeakPolarHBondContact CG-O 3.4Å
690	Q	85.4	Confident	89.7	Confident	97 Å²	97	38 Å²	38	45%	0.453	19%	0.193	S	C	.	.	B	Isolated β-bridge	trans	-99.5	128.7	178.8	-62.5	-57.1	-42.4	0	0	109.9	I688 L692 R693	I688-Q690 PolarHBondContact O-N 3.44Å; I688-Q690 PolarHBondContact O-NE2 2.61Å; I688-Q690 VanDerWaalsContact O-NE2 3.09Å; Q690-L692 PolarHBondContact O-N 3.3Å; Q690-L692 VanDerWaalsContact O-N 3.16Å; Q690-R693 HydrophobicContact CB-CB 4.01Å; Q690-R693 PolarHBondContact O-N 2.82Å
691	P	80	Confident	90.1	Very high	114 Å²	114	37.9 Å²	37.9	74%	0.74	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-34.3	-175.5	-27.2	33.9	0	0	0	114.8
692	L	82.8	Confident	90.1	Very high	146 Å²	146	37.9 Å²	37.9	76%	0.764	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-9.5	-175.8	-65.9	171.6	0	0	0	113.6	Q690 G784	Q690-L692 PolarHBondContact O-N 3.3Å; Q690-L692 VanDerWaalsContact O-N 3.16Å; L692-G784 VanDerWaalsContact O-CA 3.25Å; L692-G784 WeakPolarHBondContact O-CA 3.31Å
693	R	86.8	Confident	89.9	Confident	68 Å²	68	40.4 Å²	40.4	26%	0.257	21%	0.213	S	C	.	.	B	Isolated β-bridge	trans	-128.1	98.9	-174.8	-177	-178.9	172.9	164.5	-13.9	109.8	Q690 V781 G803 D805 E894	Q690-R693 HydrophobicContact CB-CB 4.01Å; Q690-R693 PolarHBondContact O-N 2.82Å; R693-V781 HydrophobicContact CG-CG1 3.6Å; R693-G803 PolarHBondContact NH2-O 3.45Å; R693-D805 IonicContact CZ-OD2 3.29Å; R693-D805 IonicContact NE-OD2 3.82Å; R693-D805 IonicContact NH2-OD2 3.11Å; R693-D805 PolarHBondContact NH2-OD2 2.86Å; R693-E894 IonicContact CZ-OE1 2.72Å; R693-E894 IonicContact NE-OE1 3.57Å; R693-E894 IonicContact NH1-OE1 3.11Å; R693-E894 PolarHBondContact NH1-OE1 3.34Å; R693-E894 IonicContact NH2-OE1 2.74Å; R693-E894 PolarHBondContact NH2-OE1 2.86Å
694	R	89.8	Confident	89.4	Confident	70 Å²	70	44.7 Å²	44.7	26%	0.264	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-93.6	138.1	179.4	-57.8	-170.8	-175.2	-176.3	5.1	110.9	R721 G784 I786 E880	R694-R721 VanDerWaalsContact NH1-CG 3.35Å; R694-G784 VanDerWaalsContact CD-O 3.28Å; R694-G784 WeakPolarHBondContact CD-O 3.41Å; R694-G784 PolarHBondContact NE-O 2.8Å; R694-I786 HydrophobicContact CB-CG1 3.98Å; R694-I786 VanDerWaalsContact CD-CG1 3.44Å; R694-I786 HydrophobicContact CG-CG1 4.35Å; R694-E880 WeakPolarHBondContact CD-OE1 3.37Å; R694-E880 IonicContact CZ-OE1 3.32Å; R694-E880 VanDerWaalsContact CZ-OE1 3.3Å; R694-E880 IonicContact NE-OE1 2.75Å; R694-E880 PolarHBondContact NE-OE1 3.04Å; R694-E880 IonicContact NH1-OE1 3.62Å; R694-E880 PolarHBondContact NH1-OE1 3.22Å
695	R	92.2	Very high	89.1	Confident	19 Å²	19	44.6 Å²	44.6	7%	0.072	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-71.3	136.8	-177.9	-67.4	176.5	61.6	-165.5	-2	111.1	Y687 D805 P806 T884	Y687-R695 HydrophobicContact CE1-CG 4.07Å; R695-D805 WeakPolarHBondContact CB-O 3.38Å; R695-D805 HydrophobicContact CG-CB 4.48Å; R695-D805 WeakPolarHBondContact CG-O 3.29Å; R695-D805 PolarHBondContact NE-O 3.24Å; R695-P806 PolarHBondContact NH2-O 3.49Å; R695-T884 PolarHBondContact NH1-OG1 3.05Å
696	P	93.9	Very high	88.7	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-63.6	135.3	173.3	-20.5	31.9	0	0	0	112.4	V777 V781 C787 L804 Y807	P696-V777 HydrophobicContact CB-CG1 4.25Å; P696-V777 HydrophobicContact CG-CG1 3.91Å; P696-V781 HydrophobicContact CG-CG2 3.6Å; P696-C787 CarbonylContact C-O 3.54Å; P696-C787 VanDerWaalsContact CA-O 3.28Å; P696-C787 WeakPolarHBondContact CA-O 3.28Å; P696-C787 HydrophobicContact CB-CB 4.23Å; P696-L804 WeakPolarHBondContact CD-O 3.27Å; P696-L804 HydrophobicContact CG-CB 4.36Å; P696-Y807 PolarHBondContact O-N 2.8Å
697	L	95.1	Very high	88.6	Confident	4 Å²	4	41.4 Å²	41.4	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	116.9	171.4	-59.2	-175.1	0	0	0	109.9	F699 F722 I786 C787 C788 I789 Y807 I809 L879	L697-F699 HydrophobicContact CB-CE2 4.03Å; L697-F699 HydrophobicContact CB-CZ 4.47Å; L697-F722 HydrophobicContact CD1-CD1 4.34Å; L697-F722 HydrophobicContact CD1-CE1 3.86Å; L697-I786 HydrophobicContact CD1-CG2 3.91Å; L697-I786 HydrophobicContact CG-CG2 3.75Å; L697-C787 PolarHBondContact N-O 3.21Å; L697-C788 WeakPolarHBondContact O-CA 3.47Å; L697-I789 PolarHBondContact O-N 3.35Å; L697-Y807 HydrophobicContact CD2-CD1 4.02Å; L697-Y807 HydrophobicContact CD2-CG 4.39Å; L697-I809 HydrophobicContact CD2-CD1 4.3Å; L697-L879 HydrophobicContact CD2-CD1 3.82Å
698	V	94.8	Very high	88.4	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	113.2	-176.6	-178.7	0	0	0	0	109.8	V700 I789 L791 L796 I799 P806 Y807 V808 I809	V698-V700 HydrophobicContact CG1-CG2 4.22Å; V698-I789 CarbonylContact C-O 3.56Å; V698-I789 WeakPolarHBondContact CA-O 3.47Å; V698-L791 HydrophobicContact CG1-CB 4.13Å; V698-L791 HydrophobicContact CG1-CD1 3.78Å; V698-L791 HydrophobicContact CG1-CG 4.05Å; V698-L796 HydrophobicContact CG1-CD2 3.95Å; V698-I799 HydrophobicContact CG2-CD1 3.56Å; V698-P806 HydrophobicContact CG2-CB 3.63Å; V698-Y807 PolarHBondContact N-O 2.92Å; V698-V808 HydrophobicContact CB-CG2 4.36Å; V698-V808 CarbonylContact O-C 3.54Å; V698-V808 WeakPolarHBondContact O-CA 3.23Å; V698-I809 PolarHBondContact O-N 3.4Å
699	F	94.6	Very high	88.3	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	125.1	179.4	-63.2	-92.6	0	0	0	111	L697 L711 L714 C788 I789 S790 L791 I809 I811 L872	L697-F699 HydrophobicContact CB-CE2 4.03Å; L697-F699 HydrophobicContact CB-CZ 4.47Å; F699-L711 HydrophobicContact CD2-CD1 4.14Å; F699-L711 HydrophobicContact CE2-CD1 4.48Å; F699-L714 HydrophobicContact CZ-CD2 4.08Å; F699-C788 HydrophobicContact CE2-CB 4.16Å; F699-I789 PolarHBondContact N-O 3.07Å; F699-S790 WeakPolarHBondContact O-CA 3.24Å; F699-L791 PolarHBondContact O-N 3.4Å; F699-L791 VanDerWaalsContact O-N 3.08Å; F699-I809 WeakPolarHBondContact CA-O 3.43Å; F699-I809 HydrophobicContact CD1-CB 4.4Å; F699-I809 HydrophobicContact CD1-CG2 4.44Å; F699-I809 HydrophobicContact CE1-CD1 4.26Å; F699-I809 HydrophobicContact CZ-CD1 4.41Å; F699-I811 HydrophobicContact CD1-CD1 4.18Å; F699-I811 HydrophobicContact CD1-CG1 4.21Å; F699-L872 HydrophobicContact CE1-CD1 3.79Å; F699-L872 HydrophobicContact CE1-CD2 3.78Å; F699-L872 HydrophobicContact CE1-CG 4.47Å; F699-L872 HydrophobicContact CZ-CD1 4.15Å; F699-L872 HydrophobicContact CZ-CD2 4.2Å
700	V	93.3	Very high	88.4	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	150.3	176.3	-177.7	0	0	0	0	109.3	V698 P793 L796 V808 I809 F810 I811 F856	V698-V700 HydrophobicContact CG1-CG2 4.22Å; V700-P793 HydrophobicContact CG1-CB 4.1Å; V700-L796 HydrophobicContact CG2-CD1 4.09Å; V700-L796 HydrophobicContact CG2-CD2 3.76Å; V700-L796 HydrophobicContact CG2-CG 4.12Å; V700-V808 HydrophobicContact CG2-CG1 4.1Å; V700-I809 PolarHBondContact N-O 3.3Å; V700-F810 HydrophobicContact CB-CD2 4.34Å; V700-F810 HydrophobicContact CG1-CD2 4.18Å; V700-F810 CarbonylContact O-C 3.53Å; V700-F810 WeakPolarHBondContact O-CA 3.37Å; V700-I811 PolarHBondContact O-N 3.42Å; V700-F856 HydrophobicContact CB-CE1 4.4Å; V700-F856 HydrophobicContact CG1-CE1 4.1Å; V700-F856 HydrophobicContact CG1-CZ 4.36Å
701	G	91.6	Very high	88.7	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.196	C	C	.	.			trans	167.5	171.4	178.6	0	0	0	0	0	111.6	R707	G701-R707 PolarHBondContact O-NE 2.9Å; G701-R707 PolarHBondContact O-NH1 2.98Å; G701-R707 PolarHBondContact O-NH2 3.38Å
702	P	91	Very high	89	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.006	17%	0.172	C	C	.	.			trans	-69.1	174.2	175.7	25.8	-28.7	0	0	0	111.8	V705 R707 P813 T844 M848	P702-V705 HydrophobicContact CB-CG2 4.4Å; P702-V705 HydrophobicContact CG-CG2 3.5Å; P702-R707 PolarHBondContact O-NE 2.84Å; P702-R707 VanDerWaalsContact O-NE 3.08Å; P702-R707 PolarHBondContact O-NH2 2.77Å; P702-P813 HydrophobicContact CG-CG 3.97Å; P702-T844 HydrophobicContact CB-CG2 4.29Å; P702-M848 HydrophobicContact CB-SD 4.46Å
703	A	84.5	Confident	89.4	Confident	54 Å²	54	30.8 Å²	30.8	45%	0.446	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	158.8	170.8	0	0	0	0	0	110.5	V705 C841	A703-V705 VanDerWaalsContact C-N 3.29Å; A703-V705 PolarHBondContact O-N 3.14Å; A703-V705 VanDerWaalsContact O-N 3.15Å; A703-C841 PolarHBondContact O-SG 2.94Å
704	H	80.6	Confident	89.6	Confident	91 Å²	91	27.5 Å²	27.5	42%	0.421	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	-3.6	173.6	-44.3	-68	0	0	0	118.6	G706 L829	H704-G706 PolarHBondContact O-N 2.95Å; H704-L829 WeakPolarHBondContact O-CD1 3.32Å
705	V	84.5	Confident	89.6	Confident	1 Å²	1	26 Å²	26	1%	0.006	13%	0.13	C	C	.	.	S	Bend	trans	-76	-9.1	177.6	-157.4	0	0	0	0	113.5	P702 A703 I811 P813 L827 P862	P702-V705 HydrophobicContact CB-CG2 4.4Å; P702-V705 HydrophobicContact CG-CG2 3.5Å; A703-V705 VanDerWaalsContact C-N 3.29Å; A703-V705 PolarHBondContact O-N 3.14Å; A703-V705 VanDerWaalsContact O-N 3.15Å; V705-I811 HydrophobicContact CB-CG2 4.29Å; V705-I811 HydrophobicContact CG1-CG2 3.62Å; V705-P813 HydrophobicContact CG1-CB 4.41Å; V705-P813 HydrophobicContact CG2-CB 4.2Å; V705-P813 HydrophobicContact CG2-CG 4.43Å; V705-L827 WeakPolarHBondContact O-CD1 3.29Å; V705-P862 HydrophobicContact CG1-CG 4.03Å
706	G	83.5	Confident	89.6	Confident	4 Å²	4	30.2 Å²	30.2	4%	0.041	15%	0.15	C	C	.	.			trans	87.5	23.1	178.1	0	0	0	0	0	115.4	H704 Q708 Q709 I710	H704-G706 PolarHBondContact O-N 2.95Å; G706-Q708 VanDerWaalsContact C-N 3.28Å; G706-Q708 PolarHBondContact O-N 2.89Å; G706-Q709 VanDerWaalsContact C-OE1 3.31Å; G706-Q709 VanDerWaalsContact CA-OE1 3.23Å; G706-Q709 PolarHBondContact O-N 3Å; G706-Q709 VanDerWaalsContact O-N 3.08Å; G706-Q709 PolarHBondContact O-OE1 3.17Å; G706-I710 WeakPolarHBondContact O-CG1 3.28Å; G706-I710 PolarHBondContact O-N 3.31Å
707	R	88.8	Confident	89.4	Confident	50 Å²	50	35.6 Å²	35.6	19%	0.189	17%	0.17	C	C	.	.	H	α-helix	trans	-49.3	-44.8	179.1	-68.8	-179.5	-77.9	153.2	-3.7	113.5	G701 P702 L711 I811	G701-R707 PolarHBondContact O-NE 2.9Å; G701-R707 PolarHBondContact O-NH1 2.98Å; G701-R707 PolarHBondContact O-NH2 3.38Å; P702-R707 PolarHBondContact O-NE 2.84Å; P702-R707 VanDerWaalsContact O-NE 3.08Å; P702-R707 PolarHBondContact O-NH2 2.77Å; R707-L711 WeakPolarHBondContact O-CB 3.46Å; R707-L711 PolarHBondContact O-N 3.17Å; R707-I811 HydrophobicContact CG-CB 4.11Å; R707-I811 HydrophobicContact CG-CG1 4.2Å
708	Q	86.5	Confident	89.2	Confident	122 Å²	122	37.7 Å²	37.7	57%	0.57	18%	0.18	S	C	*	.	H	α-helix	trans	-68.5	-37.7	-179.2	-71.9	-179.2	-15.6	0	0	112.3	G706 L711 Q712	G706-Q708 VanDerWaalsContact C-N 3.28Å; G706-Q708 PolarHBondContact O-N 2.89Å; Q708-L711 PolarHBondContact O-N 3.11Å; Q708-Q712 WeakPolarHBondContact O-CB 3.05Å; Q708-Q712 VanDerWaalsContact O-CG 3.31Å; Q708-Q712 WeakPolarHBondContact O-CG 3.23Å; Q708-Q712 PolarHBondContact O-N 3.31Å
709	Q	87.1	Confident	88.8	Confident	64 Å²	64	41.6 Å²	41.6	30%	0.299	21%	0.206	S	C	.	.	H	α-helix	trans	-68.4	-42.3	178.5	-68.4	74.6	9.2	0	0	110.8	G706 Q712 H713 L829	G706-Q709 VanDerWaalsContact C-OE1 3.31Å; G706-Q709 VanDerWaalsContact CA-OE1 3.23Å; G706-Q709 PolarHBondContact O-N 3Å; G706-Q709 VanDerWaalsContact O-N 3.08Å; G706-Q709 PolarHBondContact O-OE1 3.17Å; Q709-Q712 PolarHBondContact O-N 3.24Å; Q709-H713 WeakPolarHBondContact O-CB 3.33Å; Q709-H713 PolarHBondContact O-N 2.88Å; Q709-L829 HydrophobicContact CB-CD2 4.35Å; Q709-L829 HydrophobicContact CG-CD2 3.52Å; Q709-L829 VanDerWaalsContact OE1-CD2 3.28Å
710	I	90.6	Very high	88.5	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.2	-47.1	173.9	-64.8	163.7	0	0	0	110.4	G706 Q712 H713 L714 I811 P862 L865 T868 V869 L872	G706-I710 WeakPolarHBondContact O-CG1 3.28Å; G706-I710 PolarHBondContact O-N 3.31Å; I710-Q712 PolarHBondContact O-N 3.1Å; I710-H713 PolarHBondContact O-N 2.91Å; I710-L714 WeakPolarHBondContact O-CB 3.5Å; I710-L714 PolarHBondContact O-N 3.45Å; I710-I811 HydrophobicContact CD1-CG2 4.07Å; I710-P862 HydrophobicContact CD1-CB 4.23Å; I710-P862 HydrophobicContact CD1-CG 4.48Å; I710-L865 HydrophobicContact CB-CD1 4.42Å; I710-L865 HydrophobicContact CG1-CD1 3.95Å; I710-T868 HydrophobicContact CD1-CG2 4.22Å; I710-T868 HydrophobicContact CG2-CG2 4.14Å; I710-V869 HydrophobicContact CG2-CG2 4.37Å; I710-L872 HydrophobicContact CG2-CD1 3.44Å; I710-L872 VanDerWaalsContact CG2-CD1 3.44Å
711	L	90.1	Very high	88.3	Confident	4 Å²	4	48.6 Å²	48.6	2%	0.021	24%	0.241	C	C	.	.	H	α-helix	trans	-61.7	-44.9	178.2	-172.8	155.7	0	0	0	111.7	F699 R707 Q708 L714 I715 Q724 C788	F699-L711 HydrophobicContact CD2-CD1 4.14Å; F699-L711 HydrophobicContact CE2-CD1 4.48Å; R707-L711 WeakPolarHBondContact O-CB 3.46Å; R707-L711 PolarHBondContact O-N 3.17Å; Q708-L711 PolarHBondContact O-N 3.11Å; L711-L714 PolarHBondContact O-N 3.25Å; L711-I715 HydrophobicContact CD2-CD1 3.52Å; L711-I715 HydrophobicContact CD2-CG1 4.43Å; L711-I715 HydrophobicContact CG-CD1 4.47Å; L711-I715 WeakPolarHBondContact O-CG1 3.4Å; L711-I715 PolarHBondContact O-N 3.26Å; L711-I715 VanDerWaalsContact O-N 3.13Å; L711-Q724 HydrophobicContact CD2-CB 4.44Å; L711-Q724 HydrophobicContact CD2-CG 4.18Å; L711-C788 HydrophobicContact CD1-CB 4.18Å; L711-C788 HydrophobicContact CG-CB 4.2Å
712	Q	87.7	Confident	88.3	Confident	51 Å²	51	48.6 Å²	48.6	24%	0.238	24%	0.241	C	C	.	.	H	α-helix	trans	-63.3	-41.7	177.6	-77.8	-179.5	-3.5	0	0	112.6	Q708 Q709 I710 I715 Q716 F740	Q708-Q712 WeakPolarHBondContact O-CB 3.05Å; Q708-Q712 VanDerWaalsContact O-CG 3.31Å; Q708-Q712 WeakPolarHBondContact O-CG 3.23Å; Q708-Q712 PolarHBondContact O-N 3.31Å; Q709-Q712 PolarHBondContact O-N 3.24Å; I710-Q712 PolarHBondContact O-N 3.1Å; Q712-I715 PolarHBondContact O-N 2.84Å; Q712-Q716 WeakPolarHBondContact O-CB 3.46Å; Q712-Q716 VanDerWaalsContact O-CG 3.25Å; Q712-Q716 WeakPolarHBondContact O-CG 3.21Å; Q712-Q716 PolarHBondContact O-N 3.26Å; Q712-F740 HydrophobicContact CG-CE1 4.47Å; Q712-F740 HydrophobicContact CG-CZ 4.4Å
713	H	89.9	Confident	88.4	Confident	43 Å²	43	51.9 Å²	51.9	20%	0.199	25%	0.254	C	S	.	.	H	α-helix	trans	-68.2	-37.5	178.8	-162.9	67.4	0	0	0	111.8	Q709 I710 I715 Q716 R717 L865 D866 V869	Q709-H713 WeakPolarHBondContact O-CB 3.33Å; Q709-H713 PolarHBondContact O-N 2.88Å; I710-H713 PolarHBondContact O-N 2.91Å; H713-I715 PolarHBondContact O-N 2.94Å; H713-Q716 PolarHBondContact O-N 3.08Å; H713-R717 WeakPolarHBondContact O-CB 3.38Å; H713-R717 PolarHBondContact O-N 3.03Å; H713-L865 HydrophobicContact CB-CD1 3.84Å; H713-L865 HydrophobicContact CB-CD2 3.85Å; H713-L865 HydrophobicContact CB-CG 3.89Å; H713-D866 IonicContact CD2-OD1 3.87Å; H713-D866 IonicContact CE1-OD1 2.67Å; H713-D866 IonicContact NE2-OD1 2.65Å; H713-D866 PolarHBondContact NE2-OD1 3.47Å; H713-V869 HydrophobicContact CB-CG2 4.06Å
714	L	91.7	Very high	88.6	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-59.1	-46.4	174	-178.9	65.4	0	0	0	111.6	F699 I710 L711 R717 E718 F722 V869 L872 I873	F699-L714 HydrophobicContact CZ-CD2 4.08Å; I710-L714 WeakPolarHBondContact O-CB 3.5Å; I710-L714 PolarHBondContact O-N 3.45Å; L711-L714 PolarHBondContact O-N 3.25Å; L714-R717 PolarHBondContact O-N 3.44Å; L714-E718 PolarHBondContact O-N 3.24Å; L714-F722 HydrophobicContact CD1-CD2 3.93Å; L714-F722 HydrophobicContact CD1-CE1 4.29Å; L714-F722 HydrophobicContact CD1-CE2 3.68Å; L714-F722 HydrophobicContact CD1-CG 4.35Å; L714-F722 HydrophobicContact CD1-CZ 3.87Å; L714-F722 HydrophobicContact CD2-CD1 3.94Å; L714-F722 HydrophobicContact CD2-CE1 4.11Å; L714-F722 HydrophobicContact CD2-CG 4.19Å; L714-F722 HydrophobicContact CG-CB 4.45Å; L714-F722 HydrophobicContact CG-CD1 4.16Å; L714-F722 HydrophobicContact CG-CD2 3.93Å; L714-F722 HydrophobicContact CG-CE1 4.38Å; L714-F722 HydrophobicContact CG-CE2 4.17Å; L714-F722 HydrophobicContact CG-CG 3.92Å; L714-F722 HydrophobicContact CG-CZ 4.39Å; L714-V869 HydrophobicContact CB-CG1 4.42Å; L714-V869 HydrophobicContact CB-CG2 4.36Å; L714-V869 HydrophobicContact CD1-CG1 3.92Å; L714-L872 HydrophobicContact CD1-CB 4.21Å; L714-L872 HydrophobicContact CD2-CD1 4.45Å; L714-I873 HydrophobicContact CD1-CD1 4.43Å; L714-I873 HydrophobicContact CD1-CG1 3.75Å
715	I	90.5	Very high	89	Confident	37 Å²	37	47.7 Å²	47.7	19%	0.19	23%	0.226	C	C	.	.	H	α-helix	trans	-69	-38.9	178.4	-64.6	173.8	0	0	0	111.6	L711 Q712 H713 R717 E718 P719 F722 Q724	L711-I715 HydrophobicContact CD2-CD1 3.52Å; L711-I715 HydrophobicContact CD2-CG1 4.43Å; L711-I715 HydrophobicContact CG-CD1 4.47Å; L711-I715 WeakPolarHBondContact O-CG1 3.4Å; L711-I715 PolarHBondContact O-N 3.26Å; L711-I715 VanDerWaalsContact O-N 3.13Å; Q712-I715 PolarHBondContact O-N 2.84Å; H713-I715 PolarHBondContact O-N 2.94Å; I715-R717 VanDerWaalsContact C-N 3.27Å; I715-R717 PolarHBondContact O-N 3.23Å; I715-E718 CarbonylContact O-C 3.59Å; I715-P719 WeakPolarHBondContact O-CA 3.24Å; I715-P719 WeakPolarHBondContact O-CB 3.41Å; I715-P719 VanDerWaalsContact O-N 3.11Å; I715-F722 HydrophobicContact CG1-CB 4.15Å; I715-Q724 HydrophobicContact CD1-CB 3.67Å
716	Q	90.5	Very high	89.2	Confident	109 Å²	109	48.4 Å²	48.4	51%	0.509	23%	0.232	S	C	.	.	H	α-helix	trans	-65.9	-32	177.8	-75.9	168.2	30.2	0	0	112.4	Q712 H713	Q712-Q716 WeakPolarHBondContact O-CB 3.46Å; Q712-Q716 VanDerWaalsContact O-CG 3.25Å; Q712-Q716 WeakPolarHBondContact O-CG 3.21Å; Q712-Q716 PolarHBondContact O-N 3.26Å; H713-Q716 PolarHBondContact O-N 3.08Å
717	R	90.9	Very high	89.6	Confident	112 Å²	112	50 Å²	50	42%	0.423	24%	0.239	S	C	.	.	H	α-helix	trans	-77	-39.1	-179.3	-170.3	170.3	174.9	179.4	-5.2	113.1	H713 L714 I715 D866 V869 T870 I873	H713-R717 WeakPolarHBondContact O-CB 3.38Å; H713-R717 PolarHBondContact O-N 3.03Å; L714-R717 PolarHBondContact O-N 3.44Å; I715-R717 VanDerWaalsContact C-N 3.27Å; I715-R717 PolarHBondContact O-N 3.23Å; R717-D866 PolarHBondContact NH1-O 2.76Å; R717-V869 HydrophobicContact CB-CG1 4.46Å; R717-T870 PolarHBondContact NH1-OG1 3.27Å; R717-T870 PolarHBondContact NH2-OG1 3.03Å; R717-T870 VanDerWaalsContact NH2-OG1 3.1Å; R717-I873 HydrophobicContact CG-CD1 4.25Å
718	E	89.8	Confident	89.7	Confident	48 Å²	48	48.7 Å²	48.7	22%	0.224	24%	0.235	C	C	.	.			trans	-133.8	74.6	177.7	-74.8	-175.2	-167.7	0	0	110.7	L714 I715 D720 R721 F722 I873	L714-E718 PolarHBondContact O-N 3.24Å; I715-E718 CarbonylContact O-C 3.59Å; E718-D720 VanDerWaalsContact C-N 3.25Å; E718-D720 PolarHBondContact O-N 3.4Å; E718-R721 HydrophobicContact CB-CB 4.27Å; E718-R721 PolarHBondContact O-N 2.67Å; E718-R721 VanDerWaalsContact OE2-CD 3.25Å; E718-R721 WeakPolarHBondContact OE2-CD 3.26Å; E718-R721 IonicContact OE2-NH1 3.71Å; E718-R721 PolarHBondContact OE2-NH1 3.47Å; E718-F722 HydrophobicContact CB-CD2 3.73Å; E718-F722 HydrophobicContact CB-CE2 3.95Å; E718-F722 PolarHBondContact O-N 3.3Å; E718-F722 VanDerWaalsContact O-N 3.13Å; E718-F722 VanDerWaalsContact OE2-CE2 3.28Å; E718-F722 WeakPolarHBondContact OE2-CE2 3.43Å; E718-I873 HydrophobicContact CG-CD1 4.49Å; E718-I873 WeakPolarHBondContact OE1-CG2 3.41Å
719	P	87.4	Confident	90	Very high	82 Å²	82	42.9 Å²	42.9	53%	0.532	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-17.4	-174.9	29	-35.9	0	0	0	113.8	I715	I715-P719 WeakPolarHBondContact O-CA 3.24Å; I715-P719 WeakPolarHBondContact O-CB 3.41Å; I715-P719 VanDerWaalsContact O-N 3.11Å
720	D	88.1	Confident	90.2	Very high	121 Å²	121	41 Å²	41	65%	0.647	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-25.3	176.5	61.3	-34.1	0	0	0	112.6	E718 Y723	E718-D720 VanDerWaalsContact C-N 3.25Å; E718-D720 PolarHBondContact O-N 3.4Å; D720-Y723 VanDerWaalsContact O-CE2 3.24Å; D720-Y723 WeakPolarHBondContact O-CE2 3.41Å; D720-Y723 PolarHBondContact O-OH 3.4Å
721	R	89.2	Confident	90	Very high	26 Å²	26	42.2 Å²	42.2	10%	0.098	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-45.7	-172.2	-165.8	179.5	-179.3	-163.6	-1.1	114	R694 E718 I786 E880	R694-R721 VanDerWaalsContact NH1-CG 3.35Å; E718-R721 HydrophobicContact CB-CB 4.27Å; E718-R721 PolarHBondContact O-N 2.67Å; E718-R721 VanDerWaalsContact OE2-CD 3.25Å; E718-R721 WeakPolarHBondContact OE2-CD 3.26Å; E718-R721 IonicContact OE2-NH1 3.71Å; E718-R721 PolarHBondContact OE2-NH1 3.47Å; R721-I786 HydrophobicContact CG-CD1 3.86Å; R721-I786 HydrophobicContact CG-CG1 4.28Å; R721-I786 PolarHBondContact O-N 3.38Å; R721-I786 VanDerWaalsContact O-N 3.08Å; R721-E880 IonicContact CZ-OE1 2.9Å; R721-E880 IonicContact CZ-OE2 2.72Å; R721-E880 IonicContact NE-OE1 3.71Å; R721-E880 PolarHBondContact NE-OE1 3.4Å; R721-E880 IonicContact NH2-OE1 3.11Å; R721-E880 PolarHBondContact NH2-OE1 2.84Å; R721-E880 IonicContact NH2-OE2 3.46Å; R721-E880 PolarHBondContact NH2-OE2 2.89Å
722	F	92.5	Very high	89.5	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	128.8	-175.4	-61.1	-79.3	0	0	0	111.5	L697 L714 I715 E718 I786 I873 A876	L697-F722 HydrophobicContact CD1-CD1 4.34Å; L697-F722 HydrophobicContact CD1-CE1 3.86Å; L714-F722 HydrophobicContact CD1-CD2 3.93Å; L714-F722 HydrophobicContact CD1-CE1 4.29Å; L714-F722 HydrophobicContact CD1-CE2 3.68Å; L714-F722 HydrophobicContact CD1-CG 4.35Å; L714-F722 HydrophobicContact CD1-CZ 3.87Å; L714-F722 HydrophobicContact CD2-CD1 3.94Å; L714-F722 HydrophobicContact CD2-CE1 4.11Å; L714-F722 HydrophobicContact CD2-CG 4.19Å; L714-F722 HydrophobicContact CG-CB 4.45Å; L714-F722 HydrophobicContact CG-CD1 4.16Å; L714-F722 HydrophobicContact CG-CD2 3.93Å; L714-F722 HydrophobicContact CG-CE1 4.38Å; L714-F722 HydrophobicContact CG-CE2 4.17Å; L714-F722 HydrophobicContact CG-CG 3.92Å; L714-F722 HydrophobicContact CG-CZ 4.39Å; I715-F722 HydrophobicContact CG1-CB 4.15Å; E718-F722 HydrophobicContact CB-CD2 3.73Å; E718-F722 HydrophobicContact CB-CE2 3.95Å; E718-F722 PolarHBondContact O-N 3.3Å; E718-F722 VanDerWaalsContact O-N 3.13Å; E718-F722 VanDerWaalsContact OE2-CE2 3.28Å; E718-F722 WeakPolarHBondContact OE2-CE2 3.43Å; F722-I786 HydrophobicContact CD1-CB 3.88Å; F722-I786 HydrophobicContact CD1-CD1 4.21Å; F722-I786 HydrophobicContact CD1-CG2 3.76Å; F722-I786 HydrophobicContact CE1-CB 4.25Å; F722-I786 HydrophobicContact CE1-CD1 3.77Å; F722-I786 HydrophobicContact CE1-CG2 3.95Å; F722-I786 HydrophobicContact CZ-CD1 4.3Å; F722-I873 HydrophobicContact CE2-CG1 4.09Å; F722-I873 HydrophobicContact CZ-CG1 4.36Å; F722-A876 HydrophobicContact CE1-CB 3.86Å; F722-A876 HydrophobicContact CZ-CB 3.73Å
723	Y	91.3	Very high	88.9	Confident	70 Å²	70	50.8 Å²	50.8	28%	0.275	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	137.3	-178.4	-67.8	-102	0	0	0	110.4	D720 K785 I786 C787 C788	D720-Y723 VanDerWaalsContact O-CE2 3.24Å; D720-Y723 WeakPolarHBondContact O-CE2 3.41Å; D720-Y723 PolarHBondContact O-OH 3.4Å; Y723-K785 HydrophobicContact CD1-CD 3.96Å; Y723-K785 HydrophobicContact CD2-CB 3.55Å; Y723-K785 HydrophobicContact CD2-CD 3.6Å; Y723-K785 HydrophobicContact CD2-CG 3.65Å; Y723-K785 HydrophobicContact CE1-CD 3.87Å; Y723-K785 HydrophobicContact CE2-CB 3.91Å; Y723-K785 HydrophobicContact CE2-CD 3.5Å; Y723-K785 VanDerWaalsContact CE2-CD 3.5Å; Y723-K785 HydrophobicContact CE2-CG 3.48Å; Y723-K785 VanDerWaalsContact CE2-CG 3.48Å; Y723-K785 HydrophobicContact CG-CB 4.24Å; Y723-K785 HydrophobicContact CG-CD 3.83Å; Y723-K785 HydrophobicContact CG-CG 4.35Å; Y723-I786 PolarHBondContact N-O 2.93Å; Y723-C787 CarbonylContact O-C 3.54Å; Y723-C787 WeakPolarHBondContact O-CA 3.02Å; Y723-C788 PolarHBondContact O-N 3.26Å
724	Q	90.6	Very high	88	Confident	53 Å²	53	51 Å²	51	25%	0.248	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	136.9	171.4	-167.9	167.5	-6.5	0	0	110.5	L711 I715 A726	L711-Q724 HydrophobicContact CD2-CB 4.44Å; L711-Q724 HydrophobicContact CD2-CG 4.18Å; I715-Q724 HydrophobicContact CD1-CB 3.67Å; Q724-A726 PolarHBondContact O-N 2.89Å
725	A	88.6	Confident	86.2	Confident	5 Å²	5	59.2 Å²	59.2	4%	0.041	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-62.4	132.2	172.4	0	0	0	0	0	110.9	I727 T772 V777 L780 I789	A725-I727 PolarHBondContact O-N 3.35Å; A725-T772 HydrophobicContact CB-CG2 4.23Å; A725-V777 HydrophobicContact CB-CG2 4.22Å; A725-L780 HydrophobicContact CB-CD1 4.4Å; A725-I789 HydrophobicContact CB-CD1 4.02Å; A725-I789 HydrophobicContact CB-CG1 3.89Å
726	A	88.3	Confident	84.5	Confident	16 Å²	16	63.6 Å²	63.6	13%	0.132	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-64.6	134.7	175.4	0	0	0	0	0	110.9	Q724 S741 I743 T776	Q724-A726 PolarHBondContact O-N 2.89Å; A726-S741 CarbonylContact C-O 3.51Å; A726-S741 WeakPolarHBondContact CA-O 3.37Å; A726-S741 WeakPolarHBondContact CB-O 3.41Å; A726-I743 HydrophobicContact CB-CD1 3.67Å; A726-I743 HydrophobicContact CB-CG1 3.9Å; A726-T776 HydrophobicContact CB-CG2 3.99Å
727	I	90.9	Very high	82.6	Confident	36 Å²	36	66 Å²	66	19%	0.185	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	126.6	-176.3	-59	174.8	0	0	0	108.6	A725 S741 Y742 I743 Y770	A725-I727 PolarHBondContact O-N 3.35Å; I727-S741 PolarHBondContact N-O 3.15Å; I727-Y742 HydrophobicContact CB-CD1 3.92Å; I727-Y742 HydrophobicContact CB-CE1 4.01Å; I727-Y742 HydrophobicContact CD1-CE1 4.3Å; I727-Y742 HydrophobicContact CG2-CD1 4.27Å; I727-Y742 HydrophobicContact CG2-CE1 4.22Å; I727-Y742 CarbonylContact O-C 3.5Å; I727-Y742 VanDerWaalsContact O-CA 3.31Å; I727-Y742 WeakPolarHBondContact O-CA 3.41Å; I727-I743 PolarHBondContact O-N 2.89Å; I727-Y770 HydrophobicContact CG2-CD1 4.29Å
728	Y	91.9	Very high	80.7	Confident	24 Å²	24	63.7 Å²	63.7	9%	0.094	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	136.2	173.6	-70.2	-101	0	0	0	109.5	I743 I745 K753 F759 Y770 G771 T776	Y728-I743 CarbonylContact C-O 3.56Å; Y728-I743 VanDerWaalsContact CA-O 3.3Å; Y728-I743 WeakPolarHBondContact CA-O 3.39Å; Y728-I743 HydrophobicContact CD1-CB 4.05Å; Y728-I743 HydrophobicContact CD1-CG2 3.93Å; Y728-I743 HydrophobicContact CE1-CB 4.19Å; Y728-I743 HydrophobicContact CE1-CD1 4.2Å; Y728-I743 HydrophobicContact CE1-CG2 3.81Å; Y728-I743 HydrophobicContact CE2-CD1 4.03Å; Y728-I743 HydrophobicContact CG-CB 4.39Å; Y728-I745 HydrophobicContact CD1-CD1 3.8Å; Y728-I745 HydrophobicContact CD1-CG1 4.22Å; Y728-I745 HydrophobicContact CD1-CG2 3.81Å; Y728-I745 HydrophobicContact CE1-CG2 4.23Å; Y728-I745 HydrophobicContact CG-CD1 4.44Å; Y728-K753 HydrophobicContact CE1-CD 4.47Å; Y728-F759 AromaticContact CD2-CE1 3.99Å; Y728-F759 HydrophobicContact CD2-CE1 3.99Å; Y728-F759 AromaticContact CG-CE1 3.97Å; Y728-F759 HydrophobicContact CG-CE1 3.97Å; Y728-F759 HydrophobicContact CG-CZ 4.37Å; Y728-Y770 CarbonylContact O-C 3.56Å; Y728-Y770 VanDerWaalsContact O-CA 3.26Å; Y728-Y770 WeakPolarHBondContact O-CA 3.27Å; Y728-G771 PolarHBondContact N-O 3.43Å; Y728-G771 PolarHBondContact O-N 3.24Å; Y728-T776 WeakPolarHBondContact CE2-OG1 3.43Å; Y728-T776 PolarHBondContact OH-OG1 2.94Å
729	T	92	Very high	79.2	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	151.5	178.9	-174.2	0	0	0	0	111.8	N731 L734 Y742 I743 C744 I745 Y769 Y770	T729-N731 PolarHBondContact OG1-N 3.46Å; T729-N731 VanDerWaalsContact OG1-N 3.14Å; T729-L734 HydrophobicContact CG2-CD1 3.9Å; T729-Y742 HydrophobicContact CG2-CD1 4.24Å; T729-Y742 HydrophobicContact CG2-CG 4.41Å; T729-I743 PolarHBondContact N-O 2.92Å; T729-C744 CarbonylContact O-C 3.55Å; T729-C744 WeakPolarHBondContact O-CA 3.18Å; T729-I745 PolarHBondContact O-N 2.97Å; T729-Y769 WeakPolarHBondContact CA-O 3.43Å; T729-Y769 PolarHBondContact OG1-O 2.51Å; T729-Y770 WeakPolarHBondContact OG1-CE1 2.95Å
730	T	91.4	Very high	78.1	Confident	25 Å²	25	67.8 Å²	67.8	15%	0.153	35%	0.352	C	S	.	.	S	Bend	trans	-91	-4.9	168.7	58.1	0	0	0	0	113.3	S732 I745 E747 F750 D768 Y769	T730-S732 PolarHBondContact O-N 2.9Å; T730-I745 WeakPolarHBondContact CA-O 3.03Å; T730-E747 HydrophobicContact CG2-CB 4.23Å; T730-F750 HydrophobicContact CG2-CB 3.98Å; T730-F750 HydrophobicContact CG2-CD2 4.32Å; T730-F750 HydrophobicContact CG2-CG 4.28Å; T730-D768 WeakPolarHBondContact OG1-CA 3.4Å; T730-D768 PolarHBondContact OG1-OD1 2.91Å; T730-Y769 HydrophobicContact CG2-CD2 4.02Å; T730-Y769 PolarHBondContact N-O 3.27Å; T730-Y769 VanDerWaalsContact N-O 3.1Å; T730-Y769 PolarHBondContact OG1-N 2.88Å
731	N	86.9	Confident	77.4	Confident	25 Å²	25	66 Å²	66	13%	0.134	35%	0.349	C	S	.	.			trans	-79.7	102.8	-178	-168.5	-32.2	0	0	0	110.9	T729 N733 L734 D768	T729-N731 PolarHBondContact OG1-N 3.46Å; T729-N731 VanDerWaalsContact OG1-N 3.14Å; N731-N733 PolarHBondContact O-N 3.23Å; N731-N733 WeakPolarHBondContact OD1-CA 3.44Å; N731-N733 VanDerWaalsContact OD1-CB 3.27Å; N731-N733 WeakPolarHBondContact OD1-CB 3.28Å; N731-N733 PolarHBondContact OD1-N 3.42Å; N731-L734 HydrophobicContact CB-CD1 3.94Å; N731-L734 HydrophobicContact CB-CG 4.33Å; N731-D768 HydrophobicContact CB-CB 3.96Å; N731-D768 VanDerWaalsContact CB-OD2 3.25Å; N731-D768 WeakPolarHBondContact CB-OD2 3.43Å; N731-D768 PolarHBondContact ND2-OD2 2.9Å
732	S	80.1	Confident	77.2	Confident	98 Å²	98	67.9 Å²	67.9	69%	0.685	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-13.5	177.2	57.5	0	0	0	0	114.3	T730 L734	T730-S732 PolarHBondContact O-N 2.9Å; S732-L734 VanDerWaalsContact C-N 3.31Å
733	N	73.8	Confident	77	Confident	136 Å²	136	70.8 Å²	70.8	73%	0.727	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-7.5	-175.5	-58.2	-37.5	0	0	0	113.1	N731 K735	N731-N733 PolarHBondContact O-N 3.23Å; N731-N733 WeakPolarHBondContact OD1-CA 3.44Å; N731-N733 VanDerWaalsContact OD1-CB 3.27Å; N731-N733 WeakPolarHBondContact OD1-CB 3.28Å; N731-N733 PolarHBondContact OD1-N 3.42Å; N733-K735 PolarHBondContact O-N 3.32Å
734	L	71	Confident	77	Confident	48 Å²	48	70.6 Å²	70.6	25%	0.251	38%	0.38	S	S	.	.			trans	-72.3	96	174.8	-73.6	165.3	0	0	0	109.5	T729 N731 S732 Y742 Y770	T729-L734 HydrophobicContact CG2-CD1 3.9Å; N731-L734 HydrophobicContact CB-CD1 3.94Å; N731-L734 HydrophobicContact CB-CG 4.33Å; S732-L734 VanDerWaalsContact C-N 3.31Å; L734-Y742 HydrophobicContact CD1-CD1 4.36Å; L734-Y742 HydrophobicContact CD1-CD2 4.22Å; L734-Y742 HydrophobicContact CD1-CE2 4.49Å; L734-Y742 HydrophobicContact CD1-CG 4.15Å; L734-Y770 HydrophobicContact CD1-CE1 4.2Å
735	K	55.7	Low	77	Confident	172 Å²	172	69.3 Å²	69.3	75%	0.748	38%	0.375	S	S	*	.			trans	-64.4	134.4	166.4	-67.1	-175.1	-179.9	-177.8	0	108.7	N733 D737	N733-K735 PolarHBondContact O-N 3.32Å; K735-D737 PolarHBondContact O-N 3.47Å
736	T	54.4	Low	77.2	Confident	130 Å²	130	72.5 Å²	72.5	80%	0.798	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	3	-175.6	-23.5	0	0	0	0	115.5	T738	T736-T738 VanDerWaalsContact C-N 3.29Å; T736-T738 PolarHBondContact O-N 3.46Å
737	D	49.6	Very low	77.4	Confident	158 Å²	158	75.9 Å²	75.9	85%	0.845	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-7.7	179.7	-86.9	-17.9	0	0	0	114.1	K735	K735-D737 PolarHBondContact O-N 3.47Å
738	T	52.2	Low	77.5	Confident	65 Å²	65	81.7 Å²	81.7	40%	0.399	43%	0.433	S	S	.	.	S	Bend	trans	-79.1	140.2	175.7	56.3	0	0	0	0	110.8	T736 F740	T736-T738 VanDerWaalsContact C-N 3.29Å; T736-T738 PolarHBondContact O-N 3.46Å; T738-F740 PolarHBondContact O-N 3.05Å
739	K	57.2	Low	77.5	Confident	168 Å²	168	85.2 Å²	85.2	73%	0.73	45%	0.45	S	S	*	.	S	Bend	trans	-48.8	-1	177.9	-67.2	-179.9	176.4	-175.3	0	116.8
740	F	63.7	Low	77.6	Confident	47 Å²	47	85.2 Å²	85.2	21%	0.206	45%	0.451	C	S	.	.	S	Bend	trans	-117.6	130.7	-178.4	-61.7	-70.8	0	0	0	110.2	Q712 T738 Y742	Q712-F740 HydrophobicContact CG-CE1 4.47Å; Q712-F740 HydrophobicContact CG-CZ 4.4Å; T738-F740 PolarHBondContact O-N 3.05Å; F740-Y742 HydrophobicContact CB-CD2 4.12Å; F740-Y742 HydrophobicContact CB-CE2 3.55Å; F740-Y742 HydrophobicContact CD2-CE2 4.49Å; F740-Y742 HydrophobicContact CG-CE2 4.41Å; F740-Y742 WeakPolarHBondContact O-CD2 3.39Å; F740-Y742 PolarHBondContact O-N 2.84Å
741	S	75.1	Confident	77.7	Confident	84 Å²	84	89.2 Å²	89.2	59%	0.587	46%	0.463	S	S	*	.			trans	-75.3	104.5	173.5	-54.4	0	0	0	0	110	A726 I727	A726-S741 CarbonylContact C-O 3.51Å; A726-S741 WeakPolarHBondContact CA-O 3.37Å; A726-S741 WeakPolarHBondContact CB-O 3.41Å; I727-S741 PolarHBondContact N-O 3.15Å
742	Y	84.5	Confident	78	Confident	65 Å²	65	92.4 Å²	92.4	26%	0.255	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	140.5	170.8	-68	-76.1	0	0	0	110.6	I727 T729 L734 F740 Y770	I727-Y742 HydrophobicContact CB-CD1 3.92Å; I727-Y742 HydrophobicContact CB-CE1 4.01Å; I727-Y742 HydrophobicContact CD1-CE1 4.3Å; I727-Y742 HydrophobicContact CG2-CD1 4.27Å; I727-Y742 HydrophobicContact CG2-CE1 4.22Å; I727-Y742 CarbonylContact O-C 3.5Å; I727-Y742 VanDerWaalsContact O-CA 3.31Å; I727-Y742 WeakPolarHBondContact O-CA 3.41Å; T729-Y742 HydrophobicContact CG2-CD1 4.24Å; T729-Y742 HydrophobicContact CG2-CG 4.41Å; L734-Y742 HydrophobicContact CD1-CD1 4.36Å; L734-Y742 HydrophobicContact CD1-CD2 4.22Å; L734-Y742 HydrophobicContact CD1-CE2 4.49Å; L734-Y742 HydrophobicContact CD1-CG 4.15Å; F740-Y742 HydrophobicContact CB-CD2 4.12Å; F740-Y742 HydrophobicContact CB-CE2 3.55Å; F740-Y742 HydrophobicContact CD2-CE2 4.49Å; F740-Y742 HydrophobicContact CG-CE2 4.41Å; F740-Y742 WeakPolarHBondContact O-CD2 3.39Å; F740-Y742 PolarHBondContact O-N 2.84Å; Y742-Y770 HydrophobicContact CE1-CD1 4.28Å; Y742-Y770 HydrophobicContact CE1-CE1 4.21Å
743	I	88.2	Confident	78.6	Confident	61 Å²	61	89.8 Å²	89.8	31%	0.313	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	102.5	172	-57.5	172.4	0	0	0	107.2	A726 I727 Y728 T729 I745	A726-I743 HydrophobicContact CB-CD1 3.67Å; A726-I743 HydrophobicContact CB-CG1 3.9Å; I727-I743 PolarHBondContact O-N 2.89Å; Y728-I743 CarbonylContact C-O 3.56Å; Y728-I743 VanDerWaalsContact CA-O 3.3Å; Y728-I743 WeakPolarHBondContact CA-O 3.39Å; Y728-I743 HydrophobicContact CD1-CB 4.05Å; Y728-I743 HydrophobicContact CD1-CG2 3.93Å; Y728-I743 HydrophobicContact CE1-CB 4.19Å; Y728-I743 HydrophobicContact CE1-CD1 4.2Å; Y728-I743 HydrophobicContact CE1-CG2 3.81Å; Y728-I743 HydrophobicContact CE2-CD1 4.03Å; Y728-I743 HydrophobicContact CG-CB 4.39Å; T729-I743 PolarHBondContact N-O 2.92Å; I743-I745 HydrophobicContact CG2-CG2 4.08Å; I743-I745 PolarHBondContact O-N 3.42Å
744	C	90	Very high	79.4	Confident	67 Å²	67	88.6 Å²	88.6	45%	0.453	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	118.5	178.7	-58.4	0	0	0	0	109.4	T729	T729-C744 CarbonylContact O-C 3.55Å; T729-C744 WeakPolarHBondContact O-CA 3.18Å
745	I	91.3	Very high	80.5	Confident	25 Å²	25	94.9 Å²	94.9	13%	0.128	47%	0.466	C	S	.	.			trans	-125.7	160.9	176.8	59.5	166.8	0	0	0	110.4	Y728 T729 T730 I743 E749 F750 K753	Y728-I745 HydrophobicContact CD1-CD1 3.8Å; Y728-I745 HydrophobicContact CD1-CG1 4.22Å; Y728-I745 HydrophobicContact CD1-CG2 3.81Å; Y728-I745 HydrophobicContact CE1-CG2 4.23Å; Y728-I745 HydrophobicContact CG-CD1 4.44Å; T729-I745 PolarHBondContact O-N 2.97Å; T730-I745 WeakPolarHBondContact CA-O 3.03Å; I743-I745 HydrophobicContact CG2-CG2 4.08Å; I743-I745 PolarHBondContact O-N 3.42Å; I745-E749 HydrophobicContact CB-CB 4.34Å; I745-E749 HydrophobicContact CD1-CB 4.31Å; I745-F750 HydrophobicContact CD1-CB 3.74Å; I745-F750 HydrophobicContact CD1-CD2 3.8Å; I745-F750 HydrophobicContact CD1-CG 4.2Å; I745-F750 HydrophobicContact CG1-CB 4.26Å; I745-F750 HydrophobicContact CG1-CD2 4.23Å; I745-K753 HydrophobicContact CD1-CD 4.27Å
746	T	93.1	Very high	82.2	Confident	72 Å²	72	92.7 Å²	92.7	44%	0.442	46%	0.459	S	S	.	.			trans	-68.8	154.4	175.7	63	0	0	0	0	111.1	E748 E749 F750	T746-E748 PolarHBondContact O-N 2.77Å; T746-E749 PolarHBondContact N-OE2 3.31Å; T746-E749 PolarHBondContact O-N 2.84Å; T746-E749 WeakPolarHBondContact OG1-CB 3.35Å; T746-E749 WeakPolarHBondContact OG1-CG 3.46Å; T746-E749 PolarHBondContact OG1-N 3.48Å; T746-E749 PolarHBondContact OG1-OE2 3.29Å; T746-F750 PolarHBondContact O-N 2.86Å
747	E	91.7	Very high	83.8	Confident	88 Å²	88	94 Å²	94	41%	0.411	45%	0.454	S	S	.	.	H	α-helix	trans	-60	-32.6	176.6	-168.4	-177.2	178.4	0	0	112.1	T730 F750 R751 Y769	T730-E747 HydrophobicContact CG2-CB 4.23Å; E747-F750 PolarHBondContact O-N 3.31Å; E747-R751 VanDerWaalsContact CD-NH1 3.34Å; E747-R751 WeakPolarHBondContact O-CB 3.26Å; E747-R751 VanDerWaalsContact O-CG 3.31Å; E747-R751 WeakPolarHBondContact O-CG 3.17Å; E747-R751 PolarHBondContact O-N 3.41Å; E747-R751 IonicContact OE1-CZ 3.01Å; E747-R751 IonicContact OE1-NE 3.95Å; E747-R751 IonicContact OE1-NH1 3.11Å; E747-R751 PolarHBondContact OE1-NH1 3.23Å; E747-R751 VanDerWaalsContact OE1-NH1 3.11Å; E747-R751 IonicContact OE1-NH2 2.58Å; E747-R751 PolarHBondContact OE1-NH2 2.84Å; E747-R751 IonicContact OE2-NH1 3.84Å; E747-Y769 HydrophobicContact CG-CD2 4.02Å; E747-Y769 HydrophobicContact CG-CE2 3.75Å; E747-Y769 WeakPolarHBondContact OE1-CE2 3.48Å
748	E	92.8	Very high	85.8	Confident	158 Å²	158	87.5 Å²	87.5	74%	0.738	42%	0.418	S	S	*	.	H	α-helix	trans	-65.9	-47.2	176	-62.4	-173.8	174.6	0	0	111.8	T746 F750 R751 L752	T746-E748 PolarHBondContact O-N 2.77Å; E748-F750 VanDerWaalsContact C-N 3.35Å; E748-F750 PolarHBondContact O-N 3.44Å; E748-R751 PolarHBondContact O-N 3.19Å; E748-L752 WeakPolarHBondContact O-CB 3.39Å; E748-L752 PolarHBondContact O-N 2.94Å
749	E	93.2	Very high	87.6	Confident	97 Å²	97	85 Å²	85	45%	0.453	40%	0.401	S	S	.	.	H	α-helix	trans	-63.1	-40.9	175.2	-73.4	166.9	151.4	0	0	111.7	I745 T746 R751 L752 K753	I745-E749 HydrophobicContact CB-CB 4.34Å; I745-E749 HydrophobicContact CD1-CB 4.31Å; T746-E749 PolarHBondContact N-OE2 3.31Å; T746-E749 PolarHBondContact O-N 2.84Å; T746-E749 WeakPolarHBondContact OG1-CB 3.35Å; T746-E749 WeakPolarHBondContact OG1-CG 3.46Å; T746-E749 PolarHBondContact OG1-N 3.48Å; T746-E749 PolarHBondContact OG1-OE2 3.29Å; E749-R751 VanDerWaalsContact C-N 3.33Å; E749-R751 PolarHBondContact O-N 3.39Å; E749-L752 PolarHBondContact O-N 3.46Å; E749-K753 WeakPolarHBondContact O-CG 3.48Å; E749-K753 PolarHBondContact O-N 2.85Å
750	F	93.6	Very high	89.3	Confident	1 Å²	1	77.2 Å²	77.2	0%	0.004	37%	0.368	C	S	.	.	H	α-helix	trans	-60.7	-45.6	177.3	-166.5	-76.6	0	0	0	110.7	T730 I745 T746 E747 E748 L752 K753 R754 F759 W762 Y769	T730-F750 HydrophobicContact CG2-CB 3.98Å; T730-F750 HydrophobicContact CG2-CD2 4.32Å; T730-F750 HydrophobicContact CG2-CG 4.28Å; I745-F750 HydrophobicContact CD1-CB 3.74Å; I745-F750 HydrophobicContact CD1-CD2 3.8Å; I745-F750 HydrophobicContact CD1-CG 4.2Å; I745-F750 HydrophobicContact CG1-CB 4.26Å; I745-F750 HydrophobicContact CG1-CD2 4.23Å; T746-F750 PolarHBondContact O-N 2.86Å; E747-F750 PolarHBondContact O-N 3.31Å; E748-F750 VanDerWaalsContact C-N 3.35Å; E748-F750 PolarHBondContact O-N 3.44Å; F750-L752 VanDerWaalsContact C-N 3.32Å; F750-L752 PolarHBondContact O-N 3.25Å; F750-K753 PolarHBondContact O-N 3.49Å; F750-R754 WeakPolarHBondContact O-CB 3.39Å; F750-R754 PolarHBondContact O-N 3.03Å; F750-F759 HydrophobicContact CD1-CE2 4.08Å; F750-F759 HydrophobicContact CD2-CE2 4.16Å; F750-F759 AromaticContact CD2-CZ 3.85Å; F750-F759 HydrophobicContact CD2-CZ 3.85Å; F750-F759 HydrophobicContact CE1-CD2 4.35Å; F750-F759 AromaticContact CE1-CE2 3.9Å; F750-F759 HydrophobicContact CE1-CE2 3.9Å; F750-F759 HydrophobicContact CE1-CZ 4.41Å; F750-F759 HydrophobicContact CE2-CE1 4.2Å; F750-F759 AromaticContact CE2-CE2 3.99Å; F750-F759 HydrophobicContact CE2-CE2 3.99Å; F750-F759 AromaticContact CE2-CZ 3.65Å; F750-F759 HydrophobicContact CE2-CZ 3.65Å; F750-F759 HydrophobicContact CG-CE2 4.18Å; F750-F759 HydrophobicContact CG-CZ 4.29Å; F750-F759 HydrophobicContact CZ-CD2 4.31Å; F750-F759 HydrophobicContact CZ-CE1 4.47Å; F750-F759 AromaticContact CZ-CE2 3.84Å; F750-F759 HydrophobicContact CZ-CE2 3.84Å; F750-F759 AromaticContact CZ-CZ 3.94Å; F750-F759 HydrophobicContact CZ-CZ 3.94Å; F750-W762 HydrophobicContact CE1-CB 4.24Å; F750-W762 HydrophobicContact CZ-CB 3.94Å; F750-Y769 HydrophobicContact CD1-CD1 4.37Å; F750-Y769 AromaticContact CD1-CG 3.98Å; F750-Y769 HydrophobicContact CD1-CG 3.98Å; F750-Y769 HydrophobicContact CE1-CD1 4.16Å; F750-Y769 HydrophobicContact CE1-CG 4.07Å; F750-Y769 HydrophobicContact CG-CG 4.46Å
751	R	92.9	Very high	90.7	Very high	108 Å²	108	76.7 Å²	76.7	41%	0.408	37%	0.366	S	S	.	.	H	α-helix	trans	-63.4	-37.8	176	-75.5	176.2	172.4	138.4	3.7	112.2	E747 E748 E749 R754 K755 Y769	E747-R751 VanDerWaalsContact CD-NH1 3.34Å; E747-R751 WeakPolarHBondContact O-CB 3.26Å; E747-R751 VanDerWaalsContact O-CG 3.31Å; E747-R751 WeakPolarHBondContact O-CG 3.17Å; E747-R751 PolarHBondContact O-N 3.41Å; E747-R751 IonicContact OE1-CZ 3.01Å; E747-R751 IonicContact OE1-NE 3.95Å; E747-R751 IonicContact OE1-NH1 3.11Å; E747-R751 PolarHBondContact OE1-NH1 3.23Å; E747-R751 VanDerWaalsContact OE1-NH1 3.11Å; E747-R751 IonicContact OE1-NH2 2.58Å; E747-R751 PolarHBondContact OE1-NH2 2.84Å; E747-R751 IonicContact OE2-NH1 3.84Å; E748-R751 PolarHBondContact O-N 3.19Å; E749-R751 VanDerWaalsContact C-N 3.33Å; E749-R751 PolarHBondContact O-N 3.39Å; R751-R754 PolarHBondContact O-N 2.67Å; R751-K755 WeakPolarHBondContact O-CG 3.44Å; R751-K755 PolarHBondContact O-N 3.42Å; R751-Y769 PolarHBondContact NH2-OH 2.87Å
752	L	94.1	Very high	91.5	Very high	93 Å²	93	76.4 Å²	76.4	49%	0.487	35%	0.352	S	S	.	.	H	α-helix	trans	-65.4	-49.1	177.1	-175.6	143.9	0	0	0	111.6	E748 E749 F750 R754 K755 Q756	E748-L752 WeakPolarHBondContact O-CB 3.39Å; E748-L752 PolarHBondContact O-N 2.94Å; E749-L752 PolarHBondContact O-N 3.46Å; F750-L752 VanDerWaalsContact C-N 3.32Å; F750-L752 PolarHBondContact O-N 3.25Å; L752-R754 VanDerWaalsContact C-N 3.28Å; L752-R754 PolarHBondContact O-N 2.98Å; L752-K755 WeakPolarHBondContact O-CB 3.32Å; L752-K755 PolarHBondContact O-N 2.86Å; L752-K755 VanDerWaalsContact O-N 3.09Å; L752-Q756 WeakPolarHBondContact O-CG 3.48Å; L752-Q756 PolarHBondContact O-N 2.85Å
753	K	92.6	Very high	91.8	Very high	43 Å²	43	74.6 Å²	74.6	19%	0.187	35%	0.354	C	S	.	.	H	α-helix	trans	-60.3	-36.6	175.3	-73.2	-174.4	165.9	-73.1	0	112.6	Y728 I745 E749 F750 Q756 K757 E758 F759	Y728-K753 HydrophobicContact CE1-CD 4.47Å; I745-K753 HydrophobicContact CD1-CD 4.27Å; E749-K753 WeakPolarHBondContact O-CG 3.48Å; E749-K753 PolarHBondContact O-N 2.85Å; F750-K753 PolarHBondContact O-N 3.49Å; K753-Q756 PolarHBondContact O-N 3.16Å; K753-K757 PolarHBondContact O-N 3.21Å; K753-E758 HydrophobicContact CB-CB 4.4Å; K753-E758 WeakPolarHBondContact CG-OE2 3.28Å; K753-E758 IonicContact NZ-OE1 3.09Å; K753-E758 PolarHBondContact NZ-OE1 2.85Å; K753-E758 IonicContact NZ-OE2 3.73Å; K753-E758 PolarHBondContact NZ-OE2 2.94Å; K753-E758 WeakPolarHBondContact O-CB 3.11Å; K753-E758 PolarHBondContact O-N 3.4Å; K753-E758 VanDerWaalsContact O-N 3.09Å; K753-F759 HydrophobicContact CB-CD2 4.21Å; K753-F759 HydrophobicContact CB-CE2 3.49Å; K753-F759 VanDerWaalsContact CB-CE2 3.49Å; K753-F759 HydrophobicContact CB-CZ 3.86Å; K753-F759 HydrophobicContact CD-CZ 4.12Å
754	R	91.2	Very high	91.9	Very high	110 Å²	110	77 Å²	77	42%	0.415	37%	0.366	S	S	.	.	H	α-helix	trans	-63.4	-45.2	172.5	-179.5	-178.6	166.3	-169.9	-2.5	112	F750 R751 L752 Q756 K757 F759 W762	F750-R754 WeakPolarHBondContact O-CB 3.39Å; F750-R754 PolarHBondContact O-N 3.03Å; R751-R754 PolarHBondContact O-N 2.67Å; L752-R754 VanDerWaalsContact C-N 3.28Å; L752-R754 PolarHBondContact O-N 2.98Å; R754-Q756 VanDerWaalsContact C-N 3.26Å; R754-Q756 PolarHBondContact O-N 3.1Å; R754-K757 PolarHBondContact O-N 3.36Å; R754-F759 HydrophobicContact CB-CD2 4.16Å; R754-F759 HydrophobicContact CB-CE2 4.46Å; R754-W762 VanDerWaalsContact NH1-CH2 3.33Å
755	K	92.4	Very high	91.7	Very high	181 Å²	181	79.7 Å²	79.7	79%	0.787	37%	0.37	S	S	*	.	H	α-helix	trans	-61.7	-35.3	176.4	-74.9	177	-178.8	179.6	0	112	R751 L752 K757	R751-K755 WeakPolarHBondContact O-CG 3.44Å; R751-K755 PolarHBondContact O-N 3.42Å; L752-K755 WeakPolarHBondContact O-CB 3.32Å; L752-K755 PolarHBondContact O-N 2.86Å; L752-K755 VanDerWaalsContact O-N 3.09Å; K755-K757 PolarHBondContact O-N 3.03Å
756	Q	91.6	Very high	91.4	Very high	125 Å²	125	84.2 Å²	84.2	58%	0.584	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	1	175.2	-68.2	175.3	-14.5	0	0	114	L752 K753 R754 E758	L752-Q756 WeakPolarHBondContact O-CG 3.48Å; L752-Q756 PolarHBondContact O-N 2.85Å; K753-Q756 PolarHBondContact O-N 3.16Å; R754-Q756 VanDerWaalsContact C-N 3.26Å; R754-Q756 PolarHBondContact O-N 3.1Å; Q756-E758 PolarHBondContact O-N 3.38Å
757	K	88.5	Confident	91.1	Very high	159 Å²	159	91.8 Å²	91.8	69%	0.691	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	32.8	-177	-58.9	-177	178.2	-177.4	0	113.4	K753 R754 K755	K753-K757 PolarHBondContact O-N 3.21Å; R754-K757 PolarHBondContact O-N 3.36Å; K755-K757 PolarHBondContact O-N 3.03Å
758	E	91	Very high	91.1	Very high	20 Å²	20	89.4 Å²	89.4	9%	0.093	41%	0.406	C	S	.	.			trans	-77.1	-28.1	-178.7	-159.9	-169.2	132.4	0	0	112.6	K753 Q756 S773 K774 L775	K753-E758 HydrophobicContact CB-CB 4.4Å; K753-E758 WeakPolarHBondContact CG-OE2 3.28Å; K753-E758 IonicContact NZ-OE1 3.09Å; K753-E758 PolarHBondContact NZ-OE1 2.85Å; K753-E758 IonicContact NZ-OE2 3.73Å; K753-E758 PolarHBondContact NZ-OE2 2.94Å; K753-E758 WeakPolarHBondContact O-CB 3.11Å; K753-E758 PolarHBondContact O-N 3.4Å; K753-E758 VanDerWaalsContact O-N 3.09Å; Q756-E758 PolarHBondContact O-N 3.38Å; E758-S773 WeakPolarHBondContact CG-OG 3.46Å; E758-S773 PolarHBondContact OE1-OG 3.13Å; E758-K774 VanDerWaalsContact O-CB 3.24Å; E758-K774 WeakPolarHBondContact O-CB 3.43Å; E758-K774 PolarHBondContact O-N 3.09Å; E758-L775 HydrophobicContact CG-CD1 4.14Å; E758-L775 HydrophobicContact CG-CG 4.01Å; E758-L775 WeakPolarHBondContact OE1-CD1 3.2Å
759	F	91.9	Very high	91	Very high	13 Å²	13	83.8 Å²	83.8	6%	0.057	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	128	-178.8	-67.3	-63	0	0	0	112.7	Y728 F750 K753 R754 W762 T772	Y728-F759 AromaticContact CD2-CE1 3.99Å; Y728-F759 HydrophobicContact CD2-CE1 3.99Å; Y728-F759 AromaticContact CG-CE1 3.97Å; Y728-F759 HydrophobicContact CG-CE1 3.97Å; Y728-F759 HydrophobicContact CG-CZ 4.37Å; F750-F759 HydrophobicContact CD1-CE2 4.08Å; F750-F759 HydrophobicContact CD2-CE2 4.16Å; F750-F759 AromaticContact CD2-CZ 3.85Å; F750-F759 HydrophobicContact CD2-CZ 3.85Å; F750-F759 HydrophobicContact CE1-CD2 4.35Å; F750-F759 AromaticContact CE1-CE2 3.9Å; F750-F759 HydrophobicContact CE1-CE2 3.9Å; F750-F759 HydrophobicContact CE1-CZ 4.41Å; F750-F759 HydrophobicContact CE2-CE1 4.2Å; F750-F759 AromaticContact CE2-CE2 3.99Å; F750-F759 HydrophobicContact CE2-CE2 3.99Å; F750-F759 AromaticContact CE2-CZ 3.65Å; F750-F759 HydrophobicContact CE2-CZ 3.65Å; F750-F759 HydrophobicContact CG-CE2 4.18Å; F750-F759 HydrophobicContact CG-CZ 4.29Å; F750-F759 HydrophobicContact CZ-CD2 4.31Å; F750-F759 HydrophobicContact CZ-CE1 4.47Å; F750-F759 AromaticContact CZ-CE2 3.84Å; F750-F759 HydrophobicContact CZ-CE2 3.84Å; F750-F759 AromaticContact CZ-CZ 3.94Å; F750-F759 HydrophobicContact CZ-CZ 3.94Å; K753-F759 HydrophobicContact CB-CD2 4.21Å; K753-F759 HydrophobicContact CB-CE2 3.49Å; K753-F759 VanDerWaalsContact CB-CE2 3.49Å; K753-F759 HydrophobicContact CB-CZ 3.86Å; K753-F759 HydrophobicContact CD-CZ 4.12Å; R754-F759 HydrophobicContact CB-CD2 4.16Å; R754-F759 HydrophobicContact CB-CE2 4.46Å; F759-W762 HydrophobicContact CB-CB 4.34Å; F759-W762 HydrophobicContact CG-CB 4.49Å; F759-T772 WeakPolarHBondContact CA-O 3.48Å
760	I	91.8	Very high	91	Very high	4 Å²	4	81.2 Å²	81.2	2%	0.021	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	-51.6	169.9	-63.1	171.2	0	0	0	108.9	T772 K774 V777 L791 K798 I799 L804	I760-T772 PolarHBondContact N-O 3.36Å; I760-K774 HydrophobicContact CD1-CB 4.34Å; I760-K774 HydrophobicContact CG1-CB 4.03Å; I760-V777 HydrophobicContact CD1-CG2 4.01Å; I760-L791 HydrophobicContact CG2-CD1 3.94Å; I760-L791 HydrophobicContact CG2-CD2 4.41Å; I760-K798 HydrophobicContact CG2-CB 4.49Å; I760-K798 WeakPolarHBondContact O-CD 3.4Å; I760-I799 HydrophobicContact CD1-CD1 4.2Å; I760-I799 HydrophobicContact CD1-CG1 4.26Å; I760-I799 HydrophobicContact CG2-CB 3.87Å; I760-L804 HydrophobicContact CD1-CD1 4.32Å
761	E	92.2	Very high	90.9	Very high	36 Å²	36	81.3 Å²	81.3	17%	0.168	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	142.7	175.9	-176	167.2	146.6	0	0	109.3	G771 T772 L791 R792 S795	E761-G771 CarbonylContact O-C 3.52Å; E761-G771 VanDerWaalsContact O-CA 3.22Å; E761-G771 WeakPolarHBondContact O-CA 3.04Å; E761-T772 PolarHBondContact O-N 3.45Å; E761-L791 HydrophobicContact CB-CD2 3.98Å; E761-R792 WeakPolarHBondContact OE1-CG 3.32Å; E761-R792 IonicContact OE1-CZ 2.71Å; E761-R792 IonicContact OE1-NE 3.95Å; E761-R792 PolarHBondContact OE1-NE 3.3Å; E761-R792 IonicContact OE1-NH2 2.82Å; E761-R792 WeakPolarHBondContact OE2-CB 3.48Å; E761-R792 PolarHBondContact OE2-N 3.31Å; E761-R792 IonicContact OE2-NE 3.91Å; E761-S795 WeakPolarHBondContact CB-OG 3.12Å; E761-S795 WeakPolarHBondContact CG-OG 3.41Å; E761-S795 VanDerWaalsContact OE2-CB 3.3Å; E761-S795 WeakPolarHBondContact OE2-CB 3.24Å; E761-S795 PolarHBondContact OE2-OG 3.32Å
762	W	92.3	Very high	90.9	Very high	78 Å²	78	77 Å²	77	30%	0.295	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	157.4	169.8	63.3	-89.3	0	0	0	110	F750 R754 F759 Y770 R792	F750-W762 HydrophobicContact CE1-CB 4.24Å; F750-W762 HydrophobicContact CZ-CB 3.94Å; R754-W762 VanDerWaalsContact NH1-CH2 3.33Å; F759-W762 HydrophobicContact CB-CB 4.34Å; F759-W762 HydrophobicContact CG-CB 4.49Å; W762-Y770 CarbonylContact C-O 3.58Å; W762-Y770 WeakPolarHBondContact CA-O 3.32Å; W762-Y770 WeakPolarHBondContact CB-O 3.37Å; W762-R792 PolarHBondContact O-NH2 3.42Å
763	G	91	Very high	90.8	Very high	28 Å²	28	72.5 Å²	72.5	29%	0.289	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	168.8	178.6	0	0	0	0	0	111.8	Y770	G763-Y770 PolarHBondContact N-O 3.25Å; G763-Y770 PolarHBondContact O-N 3Å
764	L	91.1	Very high	90.8	Very high	110 Å²	110	73.3 Å²	73.3	58%	0.576	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	128.9	172.3	-173.3	77.7	0	0	0	108.1	D768 Y769	L764-D768 WeakPolarHBondContact CA-O 3.37Å; L764-Y769 HydrophobicContact CD1-CD1 3.91Å; L764-Y769 HydrophobicContact CD1-CE1 3.79Å; L764-Y769 HydrophobicContact CD1-CE2 4.45Å; L764-Y769 HydrophobicContact CD1-CG 4.29Å
765	F	84.8	Confident	90.8	Very high	124 Å²	124	71.6 Å²	71.6	54%	0.544	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	128.7	174.7	-179.5	-100.5	0	0	0	108.9	R767 D768 Y770	F765-R767 PolarHBondContact O-N 3.45Å; F765-R767 VanDerWaalsContact O-N 3.16Å; F765-D768 PolarHBondContact N-O 3Å; F765-D768 PolarHBondContact O-N 2.93Å; F765-D768 VanDerWaalsContact O-O 3.06Å; F765-Y770 HydrophobicContact CB-CD2 3.81Å; F765-Y770 HydrophobicContact CB-CE2 3.78Å; F765-Y770 HydrophobicContact CD1-CE2 4.1Å; F765-Y770 HydrophobicContact CG-CE2 4.45Å
766	N	85.6	Confident	90.8	Very high	121 Å²	121	63.3 Å²	63.3	65%	0.647	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	38.8	-177.5	-71.5	-9.5	0	0	0	115	D768	N766-D768 PolarHBondContact O-N 3.39Å
767	R	87.2	Confident	90.9	Very high	231 Å²	231	57.4 Å²	57.4	87%	0.872	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	2.2	-176.6	-50.7	178.4	176	-178	-1.8	115.6	F765	F765-R767 PolarHBondContact O-N 3.45Å; F765-R767 VanDerWaalsContact O-N 3.16Å
768	D	90.6	Very high	91.1	Very high	38 Å²	38	53.7 Å²	53.7	20%	0.203	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	148.7	172.5	-67.3	-54	0	0	0	111.3	T730 N731 L764 F765 N766 Y770	T730-D768 WeakPolarHBondContact OG1-CA 3.4Å; T730-D768 PolarHBondContact OG1-OD1 2.91Å; N731-D768 HydrophobicContact CB-CB 3.96Å; N731-D768 VanDerWaalsContact CB-OD2 3.25Å; N731-D768 WeakPolarHBondContact CB-OD2 3.43Å; N731-D768 PolarHBondContact ND2-OD2 2.9Å; L764-D768 WeakPolarHBondContact CA-O 3.37Å; F765-D768 PolarHBondContact N-O 3Å; F765-D768 PolarHBondContact O-N 2.93Å; F765-D768 VanDerWaalsContact O-O 3.06Å; N766-D768 PolarHBondContact O-N 3.39Å; D768-Y770 HydrophobicContact CB-CE2 3.82Å
769	Y	91.9	Very high	91.1	Very high	39 Å²	39	57.9 Å²	57.9	15%	0.153	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	141.7	174.6	-64.7	-78.3	0	0	0	110.7	T729 T730 E747 F750 R751 L764	T729-Y769 WeakPolarHBondContact CA-O 3.43Å; T729-Y769 PolarHBondContact OG1-O 2.51Å; T730-Y769 HydrophobicContact CG2-CD2 4.02Å; T730-Y769 PolarHBondContact N-O 3.27Å; T730-Y769 VanDerWaalsContact N-O 3.1Å; T730-Y769 PolarHBondContact OG1-N 2.88Å; E747-Y769 HydrophobicContact CG-CD2 4.02Å; E747-Y769 HydrophobicContact CG-CE2 3.75Å; E747-Y769 WeakPolarHBondContact OE1-CE2 3.48Å; F750-Y769 HydrophobicContact CD1-CD1 4.37Å; F750-Y769 AromaticContact CD1-CG 3.98Å; F750-Y769 HydrophobicContact CD1-CG 3.98Å; F750-Y769 HydrophobicContact CE1-CD1 4.16Å; F750-Y769 HydrophobicContact CE1-CG 4.07Å; F750-Y769 HydrophobicContact CG-CG 4.46Å; R751-Y769 PolarHBondContact NH2-OH 2.87Å; L764-Y769 HydrophobicContact CD1-CD1 3.91Å; L764-Y769 HydrophobicContact CD1-CE1 3.79Å; L764-Y769 HydrophobicContact CD1-CE2 4.45Å; L764-Y769 HydrophobicContact CD1-CG 4.29Å
770	Y	92	Very high	91.1	Very high	44 Å²	44	58.2 Å²	58.2	17%	0.173	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	140	172.6	-64.6	-94.5	0	0	0	109.6	I727 Y728 T729 L734 Y742 W762 G763 F765 D768	I727-Y770 HydrophobicContact CG2-CD1 4.29Å; Y728-Y770 CarbonylContact O-C 3.56Å; Y728-Y770 VanDerWaalsContact O-CA 3.26Å; Y728-Y770 WeakPolarHBondContact O-CA 3.27Å; T729-Y770 WeakPolarHBondContact OG1-CE1 2.95Å; L734-Y770 HydrophobicContact CD1-CE1 4.2Å; Y742-Y770 HydrophobicContact CE1-CD1 4.28Å; Y742-Y770 HydrophobicContact CE1-CE1 4.21Å; W762-Y770 CarbonylContact C-O 3.58Å; W762-Y770 WeakPolarHBondContact CA-O 3.32Å; W762-Y770 WeakPolarHBondContact CB-O 3.37Å; G763-Y770 PolarHBondContact N-O 3.25Å; G763-Y770 PolarHBondContact O-N 3Å; F765-Y770 HydrophobicContact CB-CD2 3.81Å; F765-Y770 HydrophobicContact CB-CE2 3.78Å; F765-Y770 HydrophobicContact CD1-CE2 4.1Å; F765-Y770 HydrophobicContact CG-CE2 4.45Å; D768-Y770 HydrophobicContact CB-CE2 3.82Å
771	G	92.3	Very high	91	Very high	3 Å²	3	58.1 Å²	58.1	3%	0.031	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	146.8	179.6	0	0	0	0	0	114.9	Y728 E761	Y728-G771 PolarHBondContact N-O 3.43Å; Y728-G771 PolarHBondContact O-N 3.24Å; E761-G771 CarbonylContact O-C 3.52Å; E761-G771 VanDerWaalsContact O-CA 3.22Å; E761-G771 WeakPolarHBondContact O-CA 3.04Å
772	T	92.3	Very high	90.9	Very high	16 Å²	16	61.8 Å²	61.8	10%	0.098	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	112	175.5	-53.7	0	0	0	0	109.2	A725 F759 I760 E761 V777 I789	A725-T772 HydrophobicContact CB-CG2 4.23Å; F759-T772 WeakPolarHBondContact CA-O 3.48Å; I760-T772 PolarHBondContact N-O 3.36Å; E761-T772 PolarHBondContact O-N 3.45Å; T772-V777 HydrophobicContact CG2-CG2 4.2Å; T772-I789 HydrophobicContact CG2-CD1 4.48Å; T772-I789 HydrophobicContact CG2-CG2 4.28Å
773	S	92.9	Very high	90.8	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	139.1	179.7	173	0	0	0	0	111.3	E758 L775 T776 V777	E758-S773 WeakPolarHBondContact CG-OG 3.46Å; E758-S773 PolarHBondContact OE1-OG 3.13Å; S773-L775 PolarHBondContact O-N 3.36Å; S773-L775 PolarHBondContact OG-N 3.08Å; S773-T776 PolarHBondContact O-N 3.15Å; S773-V777 PolarHBondContact O-N 3.18Å
774	K	92.4	Very high	90.7	Very high	59 Å²	59	63 Å²	63	26%	0.257	30%	0.297	S	S	.	.	H	α-helix	trans	-58	-35.1	169.8	179.5	176.4	170.7	172.7	0	112.3	E758 I760 R778 S802 L804	E758-K774 VanDerWaalsContact O-CB 3.24Å; E758-K774 WeakPolarHBondContact O-CB 3.43Å; E758-K774 PolarHBondContact O-N 3.09Å; I760-K774 HydrophobicContact CD1-CB 4.34Å; I760-K774 HydrophobicContact CG1-CB 4.03Å; K774-R778 PolarHBondContact O-N 3.42Å; K774-R778 VanDerWaalsContact O-N 3.09Å; K774-S802 WeakPolarHBondContact CE-O 3.49Å; K774-S802 PolarHBondContact NZ-O 3.41Å; K774-L804 HydrophobicContact CG-CD1 4.21Å
775	L	91.8	Very high	90.6	Very high	74 Å²	74	60.4 Å²	60.4	39%	0.387	28%	0.281	S	S	.	.	H	α-helix	trans	-67.6	-41.4	-179	-65.5	-176.3	0	0	0	112	E758 S773 V777 R778 Q779	E758-L775 HydrophobicContact CG-CD1 4.14Å; E758-L775 HydrophobicContact CG-CG 4.01Å; E758-L775 WeakPolarHBondContact OE1-CD1 3.2Å; S773-L775 PolarHBondContact O-N 3.36Å; S773-L775 PolarHBondContact OG-N 3.08Å; L775-V777 VanDerWaalsContact C-N 3.33Å; L775-V777 PolarHBondContact O-N 2.91Å; L775-R778 WeakPolarHBondContact O-CB 3.44Å; L775-R778 PolarHBondContact O-N 3.37Å; L775-Q779 WeakPolarHBondContact O-CG 3.3Å; L775-Q779 PolarHBondContact O-N 2.89Å
776	T	92.1	Very high	90.9	Very high	8 Å²	8	54.8 Å²	54.8	5%	0.049	26%	0.257	C	S	.	.	H	α-helix	trans	-64	-39.6	178.9	-61.8	0	0	0	0	111.9	A726 Y728 S773 Q779 L780	A726-T776 HydrophobicContact CB-CG2 3.99Å; Y728-T776 WeakPolarHBondContact CE2-OG1 3.43Å; Y728-T776 PolarHBondContact OH-OG1 2.94Å; S773-T776 PolarHBondContact O-N 3.15Å; T776-Q779 PolarHBondContact O-N 3.33Å; T776-L780 PolarHBondContact O-N 3.33Å
777	V	92.5	Very high	91.3	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.8	-43.8	174.4	-174.3	0	0	0	0	110.6	P696 A725 I760 T772 S773 L775 Q779 L780 V781 C787 I789 L804	P696-V777 HydrophobicContact CB-CG1 4.25Å; P696-V777 HydrophobicContact CG-CG1 3.91Å; A725-V777 HydrophobicContact CB-CG2 4.22Å; I760-V777 HydrophobicContact CD1-CG2 4.01Å; T772-V777 HydrophobicContact CG2-CG2 4.2Å; S773-V777 PolarHBondContact O-N 3.18Å; L775-V777 VanDerWaalsContact C-N 3.33Å; L775-V777 PolarHBondContact O-N 2.91Å; V777-Q779 VanDerWaalsContact C-N 3.35Å; V777-Q779 PolarHBondContact O-N 3.48Å; V777-L780 PolarHBondContact O-N 2.92Å; V777-V781 WeakPolarHBondContact O-CG2 3.46Å; V777-V781 PolarHBondContact O-N 2.84Å; V777-C787 HydrophobicContact CG1-CB 4.33Å; V777-I789 HydrophobicContact CB-CD1 4.21Å; V777-I789 HydrophobicContact CG1-CD1 3.81Å; V777-I789 HydrophobicContact CG2-CD1 3.3Å; V777-L804 HydrophobicContact CB-CD1 3.81Å; V777-L804 HydrophobicContact CG1-CD1 3.7Å
778	R	92.7	Very high	91.6	Very high	81 Å²	81	38 Å²	38	31%	0.306	19%	0.185	S	C	.	.	H	α-helix	trans	-60.7	-41.7	177.2	-171.4	173.7	-69.8	132.3	-15.4	112.8	K774 L775 V781 N782 L804	K774-R778 PolarHBondContact O-N 3.42Å; K774-R778 VanDerWaalsContact O-N 3.09Å; L775-R778 WeakPolarHBondContact O-CB 3.44Å; L775-R778 PolarHBondContact O-N 3.37Å; R778-V781 PolarHBondContact O-N 3.37Å; R778-N782 WeakPolarHBondContact O-CB 3.17Å; R778-N782 PolarHBondContact O-N 2.9Å; R778-N782 PolarHBondContact O-OD1 3.14Å; R778-L804 HydrophobicContact CB-CD2 3.84Å; R778-L804 HydrophobicContact CG-CD2 4.17Å
779	Q	91.9	Very high	91.7	Very high	108 Å²	108	36.6 Å²	36.6	51%	0.505	18%	0.177	S	C	.	.	H	α-helix	trans	-58.5	-48.4	177.4	-76.1	169.5	-21.5	0	0	111.1	L775 T776 V777 V781 N782 E783	L775-Q779 WeakPolarHBondContact O-CG 3.3Å; L775-Q779 PolarHBondContact O-N 2.89Å; T776-Q779 PolarHBondContact O-N 3.33Å; V777-Q779 VanDerWaalsContact C-N 3.35Å; V777-Q779 PolarHBondContact O-N 3.48Å; Q779-V781 VanDerWaalsContact C-N 3.33Å; Q779-V781 PolarHBondContact O-N 2.86Å; Q779-N782 PolarHBondContact O-N 2.86Å; Q779-E783 WeakPolarHBondContact O-CG 3.44Å; Q779-E783 PolarHBondContact O-N 2.73Å
780	L	91.3	Very high	91.7	Very high	20 Å²	20	36.7 Å²	36.7	11%	0.105	18%	0.183	C	C	.	.	H	α-helix	trans	-61.8	-40.1	177.5	-70.2	173.5	0	0	0	112.7	A725 T776 V777 E783 K785 C787	A725-L780 HydrophobicContact CB-CD1 4.4Å; T776-L780 PolarHBondContact O-N 3.33Å; V777-L780 PolarHBondContact O-N 2.92Å; L780-E783 PolarHBondContact O-N 3.37Å; L780-K785 HydrophobicContact CD2-CD 4.07Å; L780-K785 WeakPolarHBondContact O-CB 3.38Å; L780-K785 PolarHBondContact O-N 2.84Å; L780-K785 VanDerWaalsContact O-N 3.13Å; L780-C787 HydrophobicContact CB-CB 4.12Å; L780-C787 HydrophobicContact CD1-CB 4.2Å; L780-C787 VanDerWaalsContact CD1-SG 3.6Å
781	V	91.1	Very high	91.7	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.018	18%	0.176	C	C	.	.	H	α-helix	trans	-64	-42.3	176.5	170.4	0	0	0	0	111.3	R693 P696 V777 R778 Q779 E783 G784	R693-V781 HydrophobicContact CG-CG1 3.6Å; P696-V781 HydrophobicContact CG-CG2 3.6Å; V777-V781 WeakPolarHBondContact O-CG2 3.46Å; V777-V781 PolarHBondContact O-N 2.84Å; R778-V781 PolarHBondContact O-N 3.37Å; Q779-V781 VanDerWaalsContact C-N 3.33Å; Q779-V781 PolarHBondContact O-N 2.86Å; V781-E783 VanDerWaalsContact C-N 3.31Å; V781-E783 PolarHBondContact O-N 2.95Å; V781-G784 PolarHBondContact O-N 2.9Å; V781-G784 VanDerWaalsContact O-N 3.1Å
782	N	90.3	Very high	91.6	Very high	112 Å²	112	40.2 Å²	40.2	60%	0.599	20%	0.195	S	C	*	.	H	α-helix	trans	-69.3	-27.7	178.3	-70.5	-3.9	0	0	0	113	R778 Q779 G784	R778-N782 WeakPolarHBondContact O-CB 3.17Å; R778-N782 PolarHBondContact O-N 2.9Å; R778-N782 PolarHBondContact O-OD1 3.14Å; Q779-N782 PolarHBondContact O-N 2.86Å; N782-G784 PolarHBondContact O-N 3.27Å
783	E	89.6	Confident	91.4	Very high	114 Å²	114	40 Å²	40	53%	0.533	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-2.7	171.9	-72	173.5	-159.6	0	0	113	Q779 L780 V781 K785	Q779-E783 WeakPolarHBondContact O-CG 3.44Å; Q779-E783 PolarHBondContact O-N 2.73Å; L780-E783 PolarHBondContact O-N 3.37Å; V781-E783 VanDerWaalsContact C-N 3.31Å; V781-E783 PolarHBondContact O-N 2.95Å; E783-K785 VanDerWaalsContact C-N 3.29Å; E783-K785 HydrophobicContact CB-CD 4.12Å; E783-K785 HydrophobicContact CB-CG 4.24Å; E783-K785 PolarHBondContact O-N 2.85Å; E783-K785 WeakPolarHBondContact OE2-CD 3.25Å; E783-K785 VanDerWaalsContact OE2-CE 3.31Å; E783-K785 WeakPolarHBondContact OE2-CE 3.18Å; E783-K785 IonicContact OE2-NZ 2.94Å; E783-K785 PolarHBondContact OE2-NZ 3.14Å
784	G	87.7	Confident	91.1	Very high	18 Å²	18	44.8 Å²	44.8	19%	0.186	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	13.3	-177.9	0	0	0	0	0	114.4	L692 R694 V781 N782	L692-G784 VanDerWaalsContact O-CA 3.25Å; L692-G784 WeakPolarHBondContact O-CA 3.31Å; R694-G784 VanDerWaalsContact CD-O 3.28Å; R694-G784 WeakPolarHBondContact CD-O 3.41Å; R694-G784 PolarHBondContact NE-O 2.8Å; V781-G784 PolarHBondContact O-N 2.9Å; V781-G784 VanDerWaalsContact O-N 3.1Å; N782-G784 PolarHBondContact O-N 3.27Å
785	K	89.6	Confident	90.9	Very high	56 Å²	56	42.2 Å²	42.2	24%	0.243	21%	0.21	C	C	.	.			trans	-89.4	149.8	-179.9	-66.9	171.9	176.9	168.7	0	111.1	Y723 L780 E783 C787	Y723-K785 HydrophobicContact CD1-CD 3.96Å; Y723-K785 HydrophobicContact CD2-CB 3.55Å; Y723-K785 HydrophobicContact CD2-CD 3.6Å; Y723-K785 HydrophobicContact CD2-CG 3.65Å; Y723-K785 HydrophobicContact CE1-CD 3.87Å; Y723-K785 HydrophobicContact CE2-CB 3.91Å; Y723-K785 HydrophobicContact CE2-CD 3.5Å; Y723-K785 VanDerWaalsContact CE2-CD 3.5Å; Y723-K785 HydrophobicContact CE2-CG 3.48Å; Y723-K785 VanDerWaalsContact CE2-CG 3.48Å; Y723-K785 HydrophobicContact CG-CB 4.24Å; Y723-K785 HydrophobicContact CG-CD 3.83Å; Y723-K785 HydrophobicContact CG-CG 4.35Å; L780-K785 HydrophobicContact CD2-CD 4.07Å; L780-K785 WeakPolarHBondContact O-CB 3.38Å; L780-K785 PolarHBondContact O-N 2.84Å; L780-K785 VanDerWaalsContact O-N 3.13Å; E783-K785 VanDerWaalsContact C-N 3.29Å; E783-K785 HydrophobicContact CB-CD 4.12Å; E783-K785 HydrophobicContact CB-CG 4.24Å; E783-K785 PolarHBondContact O-N 2.85Å; E783-K785 WeakPolarHBondContact OE2-CD 3.25Å; E783-K785 VanDerWaalsContact OE2-CE 3.31Å; E783-K785 WeakPolarHBondContact OE2-CE 3.18Å; E783-K785 IonicContact OE2-NZ 2.94Å; E783-K785 PolarHBondContact OE2-NZ 3.14Å; K785-C787 PolarHBondContact O-N 3.01Å
786	I	92.1	Very high	90.7	Very high	6 Å²	6	38.7 Å²	38.7	3%	0.031	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	109.2	173.1	-54.1	-177.3	0	0	0	108.8	R694 L697 R721 F722 Y723 A876 E880	R694-I786 HydrophobicContact CB-CG1 3.98Å; R694-I786 VanDerWaalsContact CD-CG1 3.44Å; R694-I786 HydrophobicContact CG-CG1 4.35Å; L697-I786 HydrophobicContact CD1-CG2 3.91Å; L697-I786 HydrophobicContact CG-CG2 3.75Å; R721-I786 HydrophobicContact CG-CD1 3.86Å; R721-I786 HydrophobicContact CG-CG1 4.28Å; R721-I786 PolarHBondContact O-N 3.38Å; R721-I786 VanDerWaalsContact O-N 3.08Å; F722-I786 HydrophobicContact CD1-CB 3.88Å; F722-I786 HydrophobicContact CD1-CD1 4.21Å; F722-I786 HydrophobicContact CD1-CG2 3.76Å; F722-I786 HydrophobicContact CE1-CB 4.25Å; F722-I786 HydrophobicContact CE1-CD1 3.77Å; F722-I786 HydrophobicContact CE1-CG2 3.95Å; F722-I786 HydrophobicContact CZ-CD1 4.3Å; Y723-I786 PolarHBondContact N-O 2.93Å; I786-A876 HydrophobicContact CD1-CB 4.09Å; I786-E880 WeakPolarHBondContact CD1-OE1 3.41Å
787	C	93.5	Very high	90.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	119.6	177.3	-172.5	0	0	0	0	111.2	P696 L697 Y723 V777 L780 K785 I789	P696-C787 CarbonylContact C-O 3.54Å; P696-C787 VanDerWaalsContact CA-O 3.28Å; P696-C787 WeakPolarHBondContact CA-O 3.28Å; P696-C787 HydrophobicContact CB-CB 4.23Å; L697-C787 PolarHBondContact N-O 3.21Å; Y723-C787 CarbonylContact O-C 3.54Å; Y723-C787 WeakPolarHBondContact O-CA 3.02Å; V777-C787 HydrophobicContact CG1-CB 4.33Å; L780-C787 HydrophobicContact CB-CB 4.12Å; L780-C787 HydrophobicContact CD1-CB 4.2Å; L780-C787 VanDerWaalsContact CD1-SG 3.6Å; K785-C787 PolarHBondContact O-N 3.01Å; C787-I789 VanDerWaalsContact SG-CG1 3.59Å
788	C	93.9	Very high	90	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	123.4	175.7	-66.7	0	0	0	0	110.4	L697 F699 L711 Y723	L697-C788 WeakPolarHBondContact O-CA 3.47Å; F699-C788 HydrophobicContact CE2-CB 4.16Å; L711-C788 HydrophobicContact CD1-CB 4.18Å; L711-C788 HydrophobicContact CG-CB 4.2Å; Y723-C788 PolarHBondContact O-N 3.26Å
789	I	92.4	Very high	89.9	Confident	7 Å²	7	44.6 Å²	44.6	4%	0.036	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	136.6	-177	-47.2	175.5	0	0	0	109.7	L697 V698 F699 A725 T772 V777 C787 L791	L697-I789 PolarHBondContact O-N 3.35Å; V698-I789 CarbonylContact C-O 3.56Å; V698-I789 WeakPolarHBondContact CA-O 3.47Å; F699-I789 PolarHBondContact N-O 3.07Å; A725-I789 HydrophobicContact CB-CD1 4.02Å; A725-I789 HydrophobicContact CB-CG1 3.89Å; T772-I789 HydrophobicContact CG2-CD1 4.48Å; T772-I789 HydrophobicContact CG2-CG2 4.28Å; V777-I789 HydrophobicContact CB-CD1 4.21Å; V777-I789 HydrophobicContact CG1-CD1 3.81Å; V777-I789 HydrophobicContact CG2-CD1 3.3Å; C787-I789 VanDerWaalsContact SG-CG1 3.59Å; I789-L791 HydrophobicContact CG2-CD2 3.71Å; I789-L791 HydrophobicContact CG2-CG 3.87Å
790	S	92.4	Very high	89.6	Confident	42 Å²	42	39.8 Å²	39.8	29%	0.294	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	122	167.6	174.9	0	0	0	0	109.3	F699	F699-S790 WeakPolarHBondContact O-CA 3.24Å
791	L	91.7	Very high	89.2	Confident	3 Å²	3	42.2 Å²	42.2	2%	0.016	21%	0.211	C	C	.	.			trans	-121.1	159.6	179.8	-65.7	-178.4	0	0	0	111.6	V698 F699 I760 E761 I789 I799	V698-L791 HydrophobicContact CG1-CB 4.13Å; V698-L791 HydrophobicContact CG1-CD1 3.78Å; V698-L791 HydrophobicContact CG1-CG 4.05Å; F699-L791 PolarHBondContact O-N 3.4Å; F699-L791 VanDerWaalsContact O-N 3.08Å; I760-L791 HydrophobicContact CG2-CD1 3.94Å; I760-L791 HydrophobicContact CG2-CD2 4.41Å; E761-L791 HydrophobicContact CB-CD2 3.98Å; I789-L791 HydrophobicContact CG2-CD2 3.71Å; I789-L791 HydrophobicContact CG2-CG 3.87Å; L791-I799 HydrophobicContact CD1-CB 4.17Å; L791-I799 HydrophobicContact CD1-CD1 3.69Å; L791-I799 HydrophobicContact CD1-CG2 4.05Å
792	R	90.2	Very high	88.9	Confident	117 Å²	117	42.4 Å²	42.4	44%	0.442	21%	0.213	S	C	.	.			trans	-75.6	150.6	163.8	-70.6	-174.6	-67.8	149.1	-3.6	110.3	E761 W762 D794 S795	E761-R792 WeakPolarHBondContact OE1-CG 3.32Å; E761-R792 IonicContact OE1-CZ 2.71Å; E761-R792 IonicContact OE1-NE 3.95Å; E761-R792 PolarHBondContact OE1-NE 3.3Å; E761-R792 IonicContact OE1-NH2 2.82Å; E761-R792 WeakPolarHBondContact OE2-CB 3.48Å; E761-R792 PolarHBondContact OE2-N 3.31Å; E761-R792 IonicContact OE2-NE 3.91Å; W762-R792 PolarHBondContact O-NH2 3.42Å; R792-D794 PolarHBondContact O-N 2.87Å; R792-S795 WeakPolarHBondContact O-CB 3.28Å; R792-S795 PolarHBondContact O-N 3.32Å
793	P	87.4	Confident	88.6	Confident	12 Å²	12	38 Å²	38	8%	0.078	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-58.2	-34.1	-178.8	22.9	-34	0	0	0	113.3	V700 S795 L796 M848 F852	V700-P793 HydrophobicContact CG1-CB 4.1Å; P793-S795 PolarHBondContact O-N 2.99Å; P793-L796 VanDerWaalsContact O-CB 3.23Å; P793-L796 WeakPolarHBondContact O-CB 3.42Å; P793-L796 WeakPolarHBondContact O-CG 3.34Å; P793-L796 PolarHBondContact O-N 2.82Å; P793-L796 VanDerWaalsContact O-N 3.09Å; P793-M848 HydrophobicContact CG-CE 4.03Å; P793-M848 HydrophobicContact CG-CG 4.41Å; P793-M848 HydrophobicContact CG-SD 4.4Å; P793-F852 HydrophobicContact CB-CB 4.43Å; P793-F852 HydrophobicContact CB-CD1 4.25Å; P793-F852 HydrophobicContact CB-CD2 3.5Å; P793-F852 VanDerWaalsContact CB-CD2 3.5Å; P793-F852 HydrophobicContact CB-CE1 4.38Å; P793-F852 HydrophobicContact CB-CE2 3.65Å; P793-F852 HydrophobicContact CB-CG 3.8Å; P793-F852 HydrophobicContact CB-CZ 4.09Å; P793-F852 HydrophobicContact CG-CD2 4.22Å; P793-F852 HydrophobicContact CG-CE2 4.02Å
794	D	86.1	Confident	88.5	Confident	101 Å²	101	32.8 Å²	32.8	54%	0.54	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-63.3	-28	178.2	-51.4	-46.3	0	0	0	112.9	R792 L796 F852	R792-D794 PolarHBondContact O-N 2.87Å; D794-L796 VanDerWaalsContact C-N 3.29Å; D794-L796 PolarHBondContact O-N 2.91Å; D794-F852 WeakPolarHBondContact OD1-CZ 3.23Å
795	S	88.6	Confident	88.6	Confident	5 Å²	5	32.2 Å²	32.2	4%	0.035	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-77.9	-13.4	179.5	-56	0	0	0	0	112.8	E761 R792 P793 R797 K798 I799	E761-S795 WeakPolarHBondContact CB-OG 3.12Å; E761-S795 WeakPolarHBondContact CG-OG 3.41Å; E761-S795 VanDerWaalsContact OE2-CB 3.3Å; E761-S795 WeakPolarHBondContact OE2-CB 3.24Å; E761-S795 PolarHBondContact OE2-OG 3.32Å; R792-S795 WeakPolarHBondContact O-CB 3.28Å; R792-S795 PolarHBondContact O-N 3.32Å; P793-S795 PolarHBondContact O-N 2.99Å; S795-R797 VanDerWaalsContact C-N 3.26Å; S795-R797 PolarHBondContact O-N 2.81Å; S795-K798 PolarHBondContact O-N 2.77Å; S795-K798 VanDerWaalsContact O-N 3.11Å; S795-I799 PolarHBondContact O-N 3.49Å; S795-I799 VanDerWaalsContact O-N 3.16Å
796	L	88.3	Confident	88.8	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-59.3	-37.2	179.8	-72.9	178.7	0	0	0	112.5	V698 V700 P793 D794 K798 I799 R800 V808 W855 F856	V698-L796 HydrophobicContact CG1-CD2 3.95Å; V700-L796 HydrophobicContact CG2-CD1 4.09Å; V700-L796 HydrophobicContact CG2-CD2 3.76Å; V700-L796 HydrophobicContact CG2-CG 4.12Å; P793-L796 VanDerWaalsContact O-CB 3.23Å; P793-L796 WeakPolarHBondContact O-CB 3.42Å; P793-L796 WeakPolarHBondContact O-CG 3.34Å; P793-L796 PolarHBondContact O-N 2.82Å; P793-L796 VanDerWaalsContact O-N 3.09Å; D794-L796 VanDerWaalsContact C-N 3.29Å; D794-L796 PolarHBondContact O-N 2.91Å; L796-K798 VanDerWaalsContact C-N 3.31Å; L796-K798 PolarHBondContact O-N 3.48Å; L796-I799 HydrophobicContact CD2-CG2 4.29Å; L796-I799 VanDerWaalsContact O-CG2 3.26Å; L796-I799 WeakPolarHBondContact O-CG2 3.47Å; L796-I799 PolarHBondContact O-N 2.81Å; L796-R800 WeakPolarHBondContact O-CB 3.49Å; L796-R800 VanDerWaalsContact O-CG 3.28Å; L796-R800 WeakPolarHBondContact O-CG 3.36Å; L796-R800 PolarHBondContact O-N 3.4Å; L796-V808 HydrophobicContact CD1-CG1 4.16Å; L796-V808 HydrophobicContact CD2-CG1 3.74Å; L796-V808 HydrophobicContact CD2-CG2 3.89Å; L796-W855 HydrophobicContact CB-CD2 4.42Å; L796-W855 HydrophobicContact CB-CE3 3.53Å; L796-W855 HydrophobicContact CB-CZ3 3.95Å; L796-W855 HydrophobicContact CD1-CB 4.3Å; L796-W855 HydrophobicContact CD1-CE3 4.03Å; L796-W855 HydrophobicContact CG-CE3 4.46Å; L796-F856 HydrophobicContact CD1-CD1 4.25Å; L796-F856 HydrophobicContact CD1-CE1 3.76Å
797	R	83.8	Confident	88.9	Confident	108 Å²	108	30.4 Å²	30.4	41%	0.408	15%	0.154	S	C	.	.	H	α-helix	trans	-59.3	-44.1	176.7	-170.6	-179.1	-69.1	177.9	-0.2	111.3	S795 S801 W855	S795-R797 VanDerWaalsContact C-N 3.26Å; S795-R797 PolarHBondContact O-N 2.81Å; R797-S801 PolarHBondContact O-N 3.25Å; R797-S801 VanDerWaalsContact O-N 3.14Å; R797-S801 PolarHBondContact O-OG 2.91Å; R797-W855 HydrophobicContact CB-CH2 3.87Å; R797-W855 HydrophobicContact CB-CZ3 4.27Å; R797-W855 HydrophobicContact CG-CH2 4.36Å
798	K	85.7	Confident	88.9	Confident	105 Å²	105	30.4 Å²	30.4	46%	0.457	15%	0.154	S	C	.	.	H	α-helix	trans	-68.4	-44.3	-178.4	-69.3	175.3	-179.8	172.2	0	111.9	I760 S795 L796 S801 S802	I760-K798 HydrophobicContact CG2-CB 4.49Å; I760-K798 WeakPolarHBondContact O-CD 3.4Å; S795-K798 PolarHBondContact O-N 2.77Å; S795-K798 VanDerWaalsContact O-N 3.11Å; L796-K798 VanDerWaalsContact C-N 3.31Å; L796-K798 PolarHBondContact O-N 3.48Å; K798-S801 PolarHBondContact O-N 2.82Å; K798-S801 PolarHBondContact O-OG 3.12Å; K798-S802 PolarHBondContact O-N 3.46Å
799	I	89.3	Confident	89	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-68.2	-35.5	178.8	-167.1	162.2	0	0	0	112.3	V698 I760 L791 S795 L796 S801 S802 P806	V698-I799 HydrophobicContact CG2-CD1 3.56Å; I760-I799 HydrophobicContact CD1-CD1 4.2Å; I760-I799 HydrophobicContact CD1-CG1 4.26Å; I760-I799 HydrophobicContact CG2-CB 3.87Å; L791-I799 HydrophobicContact CD1-CB 4.17Å; L791-I799 HydrophobicContact CD1-CD1 3.69Å; L791-I799 HydrophobicContact CD1-CG2 4.05Å; S795-I799 PolarHBondContact O-N 3.49Å; S795-I799 VanDerWaalsContact O-N 3.16Å; L796-I799 HydrophobicContact CD2-CG2 4.29Å; L796-I799 VanDerWaalsContact O-CG2 3.26Å; L796-I799 WeakPolarHBondContact O-CG2 3.47Å; L796-I799 PolarHBondContact O-N 2.81Å; I799-S801 PolarHBondContact O-N 2.78Å; I799-S802 VanDerWaalsContact O-CB 3.28Å; I799-S802 WeakPolarHBondContact O-CB 3.38Å; I799-S802 PolarHBondContact O-N 3.25Å; I799-S802 VanDerWaalsContact O-N 3.13Å; I799-S802 PolarHBondContact O-OG 2.62Å; I799-P806 HydrophobicContact CD1-CB 4.23Å; I799-P806 HydrophobicContact CG1-CB 4.09Å; I799-P806 HydrophobicContact CG1-CG 4.1Å; I799-P806 HydrophobicContact CG2-CG 4.25Å
800	R	87	Confident	89.1	Confident	6 Å²	6	30.1 Å²	30.1	2%	0.023	15%	0.152	C	C	.	.	H	α-helix	trans	-65.8	-36.4	173.8	-70.2	176.5	64.7	89.8	-6	113	E682 L796 S802 P806 W890	E682-R800 IonicContact OE1-NH2 3.81Å; E682-R800 PolarHBondContact OE1-NH2 2.74Å; E682-R800 IonicContact OE2-NH2 2.68Å; E682-R800 PolarHBondContact OE2-NH2 3.37Å; L796-R800 WeakPolarHBondContact O-CB 3.49Å; L796-R800 VanDerWaalsContact O-CG 3.28Å; L796-R800 WeakPolarHBondContact O-CG 3.36Å; L796-R800 PolarHBondContact O-N 3.4Å; R800-S802 PolarHBondContact O-N 2.74Å; R800-P806 HydrophobicContact CG-CG 4.24Å; R800-W890 HydrophobicContact CB-CZ2 4.22Å; R800-W890 HydrophobicContact CG-CZ2 4.04Å
801	S	82.8	Confident	89.1	Confident	71 Å²	71	28.1 Å²	28.1	50%	0.497	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-2.6	174.4	69.5	0	0	0	0	113.8	R797 K798 I799	R797-S801 PolarHBondContact O-N 3.25Å; R797-S801 VanDerWaalsContact O-N 3.14Å; R797-S801 PolarHBondContact O-OG 2.91Å; K798-S801 PolarHBondContact O-N 2.82Å; K798-S801 PolarHBondContact O-OG 3.12Å; I799-S801 PolarHBondContact O-N 2.78Å
802	S	84.2	Confident	89.2	Confident	7 Å²	7	28.6 Å²	28.6	5%	0.049	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-14.5	-169.5	75.6	0	0	0	0	114.3	K774 K798 I799 R800 L804	K774-S802 WeakPolarHBondContact CE-O 3.49Å; K774-S802 PolarHBondContact NZ-O 3.41Å; K798-S802 PolarHBondContact O-N 3.46Å; I799-S802 VanDerWaalsContact O-CB 3.28Å; I799-S802 WeakPolarHBondContact O-CB 3.38Å; I799-S802 PolarHBondContact O-N 3.25Å; I799-S802 VanDerWaalsContact O-N 3.13Å; I799-S802 PolarHBondContact O-OG 2.62Å; R800-S802 PolarHBondContact O-N 2.74Å; S802-L804 VanDerWaalsContact C-N 3.34Å; S802-L804 WeakPolarHBondContact OG-CB 3.42Å; S802-L804 WeakPolarHBondContact OG-CD1 3.16Å; S802-L804 VanDerWaalsContact OG-CG 3.26Å; S802-L804 WeakPolarHBondContact OG-CG 3.41Å
803	G	85	Confident	89.2	Confident	20 Å²	20	23.3 Å²	23.3	21%	0.206	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	32.5	-172.6	0	0	0	0	0	112.5	R693	R693-G803 PolarHBondContact NH2-O 3.45Å
804	L	86.8	Confident	89.4	Confident	4 Å²	4	23.6 Å²	23.6	2%	0.021	13%	0.125	C	C	.	.	S	Bend	trans	-107.1	-0.2	175.9	-65.8	175.3	0	0	0	112.5	P696 I760 K774 V777 R778 S802	P696-L804 WeakPolarHBondContact CD-O 3.27Å; P696-L804 HydrophobicContact CG-CB 4.36Å; I760-L804 HydrophobicContact CD1-CD1 4.32Å; K774-L804 HydrophobicContact CG-CD1 4.21Å; V777-L804 HydrophobicContact CB-CD1 3.81Å; V777-L804 HydrophobicContact CG1-CD1 3.7Å; R778-L804 HydrophobicContact CB-CD2 3.84Å; R778-L804 HydrophobicContact CG-CD2 4.17Å; S802-L804 VanDerWaalsContact C-N 3.34Å; S802-L804 WeakPolarHBondContact OG-CB 3.42Å; S802-L804 WeakPolarHBondContact OG-CD1 3.16Å; S802-L804 VanDerWaalsContact OG-CG 3.26Å; S802-L804 WeakPolarHBondContact OG-CG 3.41Å
805	D	90.1	Very high	89.3	Confident	6 Å²	6	26.6 Å²	26.6	3%	0.032	14%	0.135	C	C	.	.			trans	48.7	54.3	176	-41	-44.1	0	0	0	114	R693 R695 W890	R693-D805 IonicContact CZ-OD2 3.29Å; R693-D805 IonicContact NE-OD2 3.82Å; R693-D805 IonicContact NH2-OD2 3.11Å; R693-D805 PolarHBondContact NH2-OD2 2.86Å; R695-D805 WeakPolarHBondContact CB-O 3.38Å; R695-D805 HydrophobicContact CG-CB 4.48Å; R695-D805 WeakPolarHBondContact CG-O 3.29Å; R695-D805 PolarHBondContact NE-O 3.24Å; D805-W890 HydrophobicContact CB-CE3 3.76Å; D805-W890 HydrophobicContact CB-CZ3 4.08Å
806	P	93.1	Very high	89.2	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.165	C	C	.	.			trans	-61.6	150.3	-174.5	29.3	-37	0	0	0	111.7	R695 V698 I799 R800 W890	R695-P806 PolarHBondContact NH2-O 3.49Å; V698-P806 HydrophobicContact CG2-CB 3.63Å; I799-P806 HydrophobicContact CD1-CB 4.23Å; I799-P806 HydrophobicContact CG1-CB 4.09Å; I799-P806 HydrophobicContact CG1-CG 4.1Å; I799-P806 HydrophobicContact CG2-CG 4.25Å; R800-P806 HydrophobicContact CG-CG 4.24Å; P806-W890 HydrophobicContact CG-CH2 4.1Å; P806-W890 HydrophobicContact CG-CZ2 4.5Å; P806-W890 WeakPolarHBondContact O-CH2 3.3Å
807	Y	94.1	Very high	89	Confident	25 Å²	25	36 Å²	36	10%	0.098	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	111.3	166.1	-169.9	-95.3	0	0	0	108.7	P696 L697 V698 I809 D857 R858 L879	P696-Y807 PolarHBondContact O-N 2.8Å; L697-Y807 HydrophobicContact CD2-CD1 4.02Å; L697-Y807 HydrophobicContact CD2-CG 4.39Å; V698-Y807 PolarHBondContact N-O 2.92Å; Y807-I809 HydrophobicContact CD1-CD1 4.07Å; Y807-I809 HydrophobicContact CD1-CG1 3.75Å; Y807-I809 HydrophobicContact CE1-CD1 4.26Å; Y807-I809 HydrophobicContact CE1-CG1 3.86Å; Y807-D857 WeakPolarHBondContact CA-OD2 3.47Å; Y807-D857 HydrophobicContact CD2-CB 3.83Å; Y807-D857 HydrophobicContact CE1-CB 4.23Å; Y807-D857 HydrophobicContact CE2-CB 3.45Å; Y807-D857 VanDerWaalsContact CE2-CB 3.45Å; Y807-D857 HydrophobicContact CG-CB 4.35Å; Y807-R858 HydrophobicContact CE1-CB 4.23Å; Y807-L879 HydrophobicContact CD1-CD1 3.73Å; Y807-L879 HydrophobicContact CD2-CD1 3.9Å; Y807-L879 HydrophobicContact CD2-CD2 3.64Å; Y807-L879 HydrophobicContact CD2-CG 4.44Å; Y807-L879 HydrophobicContact CE1-CD1 4.1Å; Y807-L879 HydrophobicContact CE1-CD2 4.47Å; Y807-L879 HydrophobicContact CE2-CD1 4.28Å; Y807-L879 HydrophobicContact CE2-CD2 3.47Å; Y807-L879 VanDerWaalsContact CE2-CD2 3.47Å; Y807-L879 HydrophobicContact CE2-CG 4.47Å; Y807-L879 HydrophobicContact CG-CD1 3.61Å; Y807-L879 HydrophobicContact CG-CD2 4.24Å
808	V	94.1	Very high	89	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	117.5	-168.9	-175.5	0	0	0	0	110.5	V698 V700 L796 W855 F856 D857 R858	V698-V808 HydrophobicContact CB-CG2 4.36Å; V698-V808 CarbonylContact O-C 3.54Å; V698-V808 WeakPolarHBondContact O-CA 3.23Å; V700-V808 HydrophobicContact CG2-CG1 4.1Å; L796-V808 HydrophobicContact CD1-CG1 4.16Å; L796-V808 HydrophobicContact CD2-CG1 3.74Å; L796-V808 HydrophobicContact CD2-CG2 3.89Å; V808-W855 VanDerWaalsContact CB-O 3.27Å; V808-W855 WeakPolarHBondContact CB-O 3.32Å; V808-F856 HydrophobicContact CG1-CD1 3.8Å; V808-D857 PolarHBondContact N-OD2 3.13Å; V808-D857 PolarHBondContact O-N 2.78Å; V808-R858 PolarHBondContact O-N 3.34Å
809	I	95	Very high	88.9	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	117.1	-179.5	-57.9	170.8	0	0	0	108.5	L697 V698 F699 V700 Y807 I811 R858 I860 L872	L697-I809 HydrophobicContact CD2-CD1 4.3Å; V698-I809 PolarHBondContact O-N 3.4Å; F699-I809 WeakPolarHBondContact CA-O 3.43Å; F699-I809 HydrophobicContact CD1-CB 4.4Å; F699-I809 HydrophobicContact CD1-CG2 4.44Å; F699-I809 HydrophobicContact CE1-CD1 4.26Å; F699-I809 HydrophobicContact CZ-CD1 4.41Å; V700-I809 PolarHBondContact N-O 3.3Å; Y807-I809 HydrophobicContact CD1-CD1 4.07Å; Y807-I809 HydrophobicContact CD1-CG1 3.75Å; Y807-I809 HydrophobicContact CE1-CD1 4.26Å; Y807-I809 HydrophobicContact CE1-CG1 3.86Å; I809-I811 HydrophobicContact CG2-CD1 3.81Å; I809-R858 CarbonylContact C-O 3.6Å; I809-R858 WeakPolarHBondContact CA-O 3.44Å; I809-I860 HydrophobicContact CG2-CD1 3.6Å; I809-I860 HydrophobicContact CG2-CG1 4.02Å; I809-L872 HydrophobicContact CD1-CD2 3.68Å; I809-L872 HydrophobicContact CG2-CD2 4.29Å
810	F	94.7	Very high	88.6	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	118.4	174.5	-175.8	-113	0	0	0	110.5	V700 S812 S845 M848 F856 R858 V859 I860	V700-F810 HydrophobicContact CB-CD2 4.34Å; V700-F810 HydrophobicContact CG1-CD2 4.18Å; V700-F810 CarbonylContact O-C 3.53Å; V700-F810 WeakPolarHBondContact O-CA 3.37Å; F810-S812 PolarHBondContact O-N 2.95Å; F810-S845 VanDerWaalsContact CZ-OG 3.31Å; F810-S845 WeakPolarHBondContact CZ-OG 3.3Å; F810-M848 HydrophobicContact CE2-CB 4.09Å; F810-M848 HydrophobicContact CE2-SD 4.34Å; F810-M848 HydrophobicContact CZ-CB 4.22Å; F810-F856 HydrophobicContact CB-CB 4.05Å; F810-F856 HydrophobicContact CB-CD1 4.11Å; F810-F856 HydrophobicContact CB-CD2 3.35Å; F810-F856 HydrophobicContact CB-CE1 4.44Å; F810-F856 HydrophobicContact CB-CE2 3.75Å; F810-F856 HydrophobicContact CB-CG 3.58Å; F810-F856 HydrophobicContact CB-CZ 4.29Å; F810-F856 AromaticContact CD1-CD2 3.92Å; F810-F856 HydrophobicContact CD1-CD2 3.92Å; F810-F856 AromaticContact CD1-CE2 3.8Å; F810-F856 HydrophobicContact CD1-CE2 3.8Å; F810-F856 AromaticContact CD2-CD2 3.89Å; F810-F856 HydrophobicContact CD2-CD2 3.89Å; F810-F856 HydrophobicContact CD2-CE1 4.08Å; F810-F856 AromaticContact CD2-CE2 3.3Å; F810-F856 HydrophobicContact CD2-CE2 3.3Å; F810-F856 AromaticContact CD2-CZ 3.42Å; F810-F856 HydrophobicContact CD2-CZ 3.42Å; F810-F856 VanDerWaalsContact CD2-CZ 3.42Å; F810-F856 HydrophobicContact CE1-CE2 4.19Å; F810-F856 AromaticContact CE2-CE2 3.72Å; F810-F856 HydrophobicContact CE2-CE2 3.72Å; F810-F856 AromaticContact CE2-CZ 3.82Å; F810-F856 HydrophobicContact CE2-CZ 3.82Å; F810-F856 AromaticContact CG-CD2 3.47Å; F810-F856 HydrophobicContact CG-CD2 3.47Å; F810-F856 VanDerWaalsContact CG-CD2 3.47Å; F810-F856 AromaticContact CG-CE2 3.34Å; F810-F856 HydrophobicContact CG-CE2 3.34Å; F810-F856 HydrophobicContact CG-CG 4.16Å; F810-F856 AromaticContact CG-CZ 3.93Å; F810-F856 HydrophobicContact CG-CZ 3.93Å; F810-F856 HydrophobicContact CZ-CE2 4.15Å; F810-R858 PolarHBondContact N-O 2.99Å; F810-V859 HydrophobicContact CB-CG2 4.31Å; F810-V859 HydrophobicContact CD1-CG1 4.02Å; F810-V859 HydrophobicContact CD1-CG2 4.22Å; F810-V859 CarbonylContact O-C 3.5Å; F810-V859 WeakPolarHBondContact O-CA 3.37Å; F810-I860 PolarHBondContact O-N 3.41Å
811	I	93.9	Very high	88.4	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	101.1	175	-51.6	-58.3	0	0	0	107.6	F699 V700 V705 R707 I710 I809 I860 P862	F699-I811 HydrophobicContact CD1-CD1 4.18Å; F699-I811 HydrophobicContact CD1-CG1 4.21Å; V700-I811 PolarHBondContact O-N 3.42Å; V705-I811 HydrophobicContact CB-CG2 4.29Å; V705-I811 HydrophobicContact CG1-CG2 3.62Å; R707-I811 HydrophobicContact CG-CB 4.11Å; R707-I811 HydrophobicContact CG-CG1 4.2Å; I710-I811 HydrophobicContact CD1-CG2 4.07Å; I809-I811 HydrophobicContact CG2-CD1 3.81Å; I811-I860 WeakPolarHBondContact CA-O 2.87Å; I811-I860 HydrophobicContact CD1-CB 4.09Å; I811-P862 HydrophobicContact CG2-CG 3.82Å
812	S	92.9	Very high	88.4	Confident	13 Å²	13	40 Å²	40	9%	0.091	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-91.4	135.2	-177.9	-166.4	0	0	0	0	110.5	F810 S845 I860 P862	F810-S812 PolarHBondContact O-N 2.95Å; S812-S845 PolarHBondContact OG-OG 3.06Å; S812-I860 PolarHBondContact N-O 3.16Å; S812-P862 VanDerWaalsContact O-CD 3.26Å; S812-P862 WeakPolarHBondContact O-CD 3.38Å
813	P	91.2	Very high	88.4	Confident	6 Å²	6	40 Å²	40	4%	0.039	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-69.2	153.1	168.9	31.9	-31.3	0	0	0	110.4	P702 V705 L820 I842 S845	P702-P813 HydrophobicContact CG-CG 3.97Å; V705-P813 HydrophobicContact CG1-CB 4.41Å; V705-P813 HydrophobicContact CG2-CB 4.2Å; V705-P813 HydrophobicContact CG2-CG 4.43Å; P813-L820 HydrophobicContact CB-CD1 3.86Å; P813-L820 HydrophobicContact CB-CD2 4.11Å; P813-I842 HydrophobicContact CG-CG1 4.38Å; P813-S845 WeakPolarHBondContact CD-OG 3.33Å
814	P	89.8	Confident	88.3	Confident	18 Å²	18	40.8 Å²	40.8	12%	0.117	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-60.8	150.5	169.3	27.2	-35.5	0	0	0	111.4	R816 D819 L820 I861	P814-R816 PolarHBondContact O-N 2.93Å; P814-D819 HydrophobicContact CB-CB 3.9Å; P814-D819 HydrophobicContact CG-CB 3.93Å; P814-L820 HydrophobicContact CG-CB 3.9Å; P814-I861 HydrophobicContact CB-CG2 4.45Å
815	E	85.9	Confident	88	Confident	163 Å²	163	48.1 Å²	48.1	76%	0.762	22%	0.216	S	C	*	.	S	Bend	trans	-65.5	-24	-175.3	-63.4	-173.9	163.7	0	0	113.9
816	R	85.7	Confident	87.5	Confident	175 Å²	175	52.1 Å²	52.1	66%	0.66	24%	0.238	S	C	*	.	S	Bend	trans	-99.1	134.4	-179.1	-64.4	-179.3	179.9	150.7	0.4	110.8	P814 D818 D819 L820	P814-R816 PolarHBondContact O-N 2.93Å; R816-D818 VanDerWaalsContact C-N 3.28Å; R816-D818 PolarHBondContact O-N 3.3Å; R816-D819 HydrophobicContact CB-CB 4.3Å; R816-D819 WeakPolarHBondContact CB-OD2 3.49Å; R816-D819 PolarHBondContact O-N 2.64Å; R816-L820 PolarHBondContact O-N 2.9Å; R816-L820 VanDerWaalsContact O-N 3.07Å
817	V	84.3	Confident	86.7	Confident	27 Å²	27	52.3 Å²	52.3	16%	0.164	24%	0.239	C	C	.	.	H	α-helix	trans	-58.2	-40.7	177.5	179.7	0	0	0	0	111.5	D819 L820 Q821 L838 K839 I842	V817-D819 VanDerWaalsContact C-N 3.32Å; V817-D819 PolarHBondContact O-N 2.9Å; V817-L820 PolarHBondContact O-N 3.35Å; V817-Q821 WeakPolarHBondContact O-CG 3.29Å; V817-Q821 PolarHBondContact O-N 3.13Å; V817-L838 HydrophobicContact CG1-CB 3.92Å; V817-L838 HydrophobicContact CG1-CD1 4.05Å; V817-K839 HydrophobicContact CG2-CG 3.58Å; V817-I842 HydrophobicContact CG2-CD1 3.85Å
818	D	83.6	Confident	85.7	Confident	106 Å²	106	58 Å²	58	57%	0.567	27%	0.271	S	S	*	.	H	α-helix	trans	-63.5	-38.2	-179.6	-59.4	-34	0	0	0	112.2	R816 Q821 R822	R816-D818 VanDerWaalsContact C-N 3.28Å; R816-D818 PolarHBondContact O-N 3.3Å; D818-Q821 WeakPolarHBondContact O-CB 3.09Å; D818-Q821 PolarHBondContact O-N 3.4Å; D818-R822 WeakPolarHBondContact O-CG 3.29Å; D818-R822 PolarHBondContact O-N 2.93Å
819	D	83.3	Confident	84.6	Confident	50 Å²	50	59.1 Å²	59.1	27%	0.267	28%	0.277	S	S	.	.	H	α-helix	trans	-72.6	-36.5	178	-65.2	-34.1	0	0	0	110.8	P814 R816 V817 Q821 R822 L823	P814-D819 HydrophobicContact CB-CB 3.9Å; P814-D819 HydrophobicContact CG-CB 3.93Å; R816-D819 HydrophobicContact CB-CB 4.3Å; R816-D819 WeakPolarHBondContact CB-OD2 3.49Å; R816-D819 PolarHBondContact O-N 2.64Å; V817-D819 VanDerWaalsContact C-N 3.32Å; V817-D819 PolarHBondContact O-N 2.9Å; D819-Q821 VanDerWaalsContact C-N 3.32Å; D819-Q821 PolarHBondContact O-N 2.77Å; D819-R822 PolarHBondContact O-N 3.38Å; D819-R822 IonicContact OD1-NH1 3.95Å; D819-R822 PolarHBondContact OD1-NH1 2.72Å; D819-L823 WeakPolarHBondContact O-CB 3.45Å; D819-L823 PolarHBondContact O-N 3.17Å
820	L	83	Confident	82.9	Confident	2 Å²	2	63.9 Å²	63.9	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-65	-36.4	172.9	-178.5	57.1	0	0	0	111.6	P813 P814 R816 V817 L823 R824 L838 C841 I842	P813-L820 HydrophobicContact CB-CD1 3.86Å; P813-L820 HydrophobicContact CB-CD2 4.11Å; P814-L820 HydrophobicContact CG-CB 3.9Å; R816-L820 PolarHBondContact O-N 2.9Å; R816-L820 VanDerWaalsContact O-N 3.07Å; V817-L820 PolarHBondContact O-N 3.35Å; L820-L823 HydrophobicContact CD1-CD2 4.11Å; L820-R824 WeakPolarHBondContact O-CB 3.45Å; L820-R824 PolarHBondContact O-N 3.21Å; L820-L838 HydrophobicContact CD2-CB 4.09Å; L820-L838 HydrophobicContact CD2-CD2 3.78Å; L820-L838 HydrophobicContact CD2-CG 4.45Å; L820-L838 HydrophobicContact CG-CD2 4Å; L820-C841 HydrophobicContact CD2-CB 4.34Å; L820-I842 HydrophobicContact CD2-CD1 4.34Å; L820-I842 HydrophobicContact CD2-CG1 4.11Å
821	Q	84	Confident	81.4	Confident	59 Å²	59	66.2 Å²	66.2	28%	0.276	34%	0.34	S	S	.	.	H	α-helix	trans	-64.6	-43.3	172.5	-74.4	-172.4	-10.5	0	0	112.6	V817 D818 D819 R824 K825 N835 L838	V817-Q821 WeakPolarHBondContact O-CG 3.29Å; V817-Q821 PolarHBondContact O-N 3.13Å; D818-Q821 WeakPolarHBondContact O-CB 3.09Å; D818-Q821 PolarHBondContact O-N 3.4Å; D819-Q821 VanDerWaalsContact C-N 3.32Å; D819-Q821 PolarHBondContact O-N 2.77Å; Q821-R824 PolarHBondContact O-N 3.39Å; Q821-K825 WeakPolarHBondContact O-CG 3.49Å; Q821-K825 PolarHBondContact O-N 3.06Å; Q821-K825 VanDerWaalsContact O-N 3.1Å; Q821-N835 PolarHBondContact NE2-OD1 2.79Å; Q821-L838 HydrophobicContact CG-CD1 3.31Å
822	R	82.8	Confident	80	Confident	159 Å²	159	74.5 Å²	74.5	60%	0.6	39%	0.385	S	S	*	.	H	α-helix	trans	-61.9	-47.8	175.9	-72.6	169.4	178.8	177.6	-4.8	110.9	D818 D819 R824 K825 N826	D818-R822 WeakPolarHBondContact O-CG 3.29Å; D818-R822 PolarHBondContact O-N 2.93Å; D819-R822 PolarHBondContact O-N 3.38Å; D819-R822 IonicContact OD1-NH1 3.95Å; D819-R822 PolarHBondContact OD1-NH1 2.72Å; R822-R824 VanDerWaalsContact C-N 3.27Å; R822-R824 PolarHBondContact O-N 2.86Å; R822-K825 WeakPolarHBondContact O-CB 3.11Å; R822-K825 PolarHBondContact O-N 2.89Å; R822-K825 VanDerWaalsContact O-N 3.14Å; R822-N826 VanDerWaalsContact O-CG 3.28Å; R822-N826 PolarHBondContact O-N 3.41Å; R822-N826 PolarHBondContact O-OD1 3.38Å
823	L	82.6	Confident	78.9	Confident	7 Å²	7	74.8 Å²	74.8	4%	0.037	39%	0.387	C	S	.	.	H	α-helix	trans	-55	-45.9	174.9	175.1	63.1	0	0	0	111.2	D819 L820 K825 N826 L827 P862 E863	D819-L823 WeakPolarHBondContact O-CB 3.45Å; D819-L823 PolarHBondContact O-N 3.17Å; L820-L823 HydrophobicContact CD1-CD2 4.11Å; L823-K825 VanDerWaalsContact C-N 3.3Å; L823-K825 PolarHBondContact O-N 2.88Å; L823-N826 WeakPolarHBondContact O-CB 3.39Å; L823-N826 PolarHBondContact O-N 3.47Å; L823-N826 VanDerWaalsContact O-N 3.1Å; L823-L827 HydrophobicContact CD1-CD1 3.7Å; L823-L827 HydrophobicContact CD1-CD2 4.38Å; L823-L827 HydrophobicContact CD1-CG 3.8Å; L823-L827 HydrophobicContact CD2-CD1 4.36Å; L823-L827 HydrophobicContact CG-CD1 3.78Å; L823-L827 HydrophobicContact CG-CG 4.22Å; L823-L827 WeakPolarHBondContact O-CB 3.4Å; L823-L827 WeakPolarHBondContact O-CG 3.35Å; L823-L827 PolarHBondContact O-N 2.79Å; L823-P862 HydrophobicContact CD1-CB 4.17Å; L823-P862 HydrophobicContact CD1-CG 4.27Å; L823-P862 WeakPolarHBondContact CD1-O 3.34Å; L823-P862 HydrophobicContact CD2-CG 3.76Å; L823-E863 WeakPolarHBondContact CD1-O 3.49Å
824	R	82.9	Confident	78.5	Confident	35 Å²	35	77 Å²	77	13%	0.132	40%	0.403	C	S	.	.	H	α-helix	trans	-60.1	-41.1	179.3	-169.3	-174.7	176.3	179	12.9	112.7	L820 Q821 R822 L827 N828 L829 A830 G831	L820-R824 WeakPolarHBondContact O-CB 3.45Å; L820-R824 PolarHBondContact O-N 3.21Å; Q821-R824 PolarHBondContact O-N 3.39Å; R822-R824 VanDerWaalsContact C-N 3.27Å; R822-R824 PolarHBondContact O-N 2.86Å; R824-L827 PolarHBondContact O-N 2.77Å; R824-N828 PolarHBondContact O-N 2.82Å; R824-L829 HydrophobicContact CB-CD1 4.46Å; R824-L829 HydrophobicContact CG-CB 3.5Å; R824-L829 VanDerWaalsContact CG-CB 3.5Å; R824-L829 HydrophobicContact CG-CD1 3.83Å; R824-L829 HydrophobicContact CG-CG 4.21Å; R824-L829 PolarHBondContact NE-O 3.35Å; R824-L829 PolarHBondContact O-N 3.42Å; R824-A830 PolarHBondContact NH2-O 2.84Å; R824-A830 VanDerWaalsContact NH2-O 3.12Å; R824-G831 PolarHBondContact NH1-O 2.79Å; R824-G831 VanDerWaalsContact NH2-CA 3.29Å; R824-G831 PolarHBondContact NH2-O 2.83Å
825	K	81.6	Confident	78.2	Confident	158 Å²	158	80.2 Å²	80.2	69%	0.687	42%	0.418	S	S	*	.	H	α-helix	trans	-63	-44.6	173.9	-69.2	174.6	-178.1	178.6	0	110.8	Q821 R822 L823 L827 N828	Q821-K825 WeakPolarHBondContact O-CG 3.49Å; Q821-K825 PolarHBondContact O-N 3.06Å; Q821-K825 VanDerWaalsContact O-N 3.1Å; R822-K825 WeakPolarHBondContact O-CB 3.11Å; R822-K825 PolarHBondContact O-N 2.89Å; R822-K825 VanDerWaalsContact O-N 3.14Å; L823-K825 VanDerWaalsContact C-N 3.3Å; L823-K825 PolarHBondContact O-N 2.88Å; K825-L827 VanDerWaalsContact C-N 3.33Å; K825-L827 PolarHBondContact O-N 2.89Å; K825-N828 PolarHBondContact O-N 3.49Å
826	N	78.8	Confident	78.2	Confident	90 Å²	90	77.7 Å²	77.7	48%	0.481	41%	0.41	S	S	.	.	H	α-helix	trans	-65.3	-34.2	179.1	-65.6	-9.2	0	0	0	113	R822 L823 N828	R822-N826 VanDerWaalsContact O-CG 3.28Å; R822-N826 PolarHBondContact O-N 3.41Å; R822-N826 PolarHBondContact O-OD1 3.38Å; L823-N826 WeakPolarHBondContact O-CB 3.39Å; L823-N826 PolarHBondContact O-N 3.47Å; L823-N826 VanDerWaalsContact O-N 3.1Å; N826-N828 PolarHBondContact O-N 3.14Å
827	L	75.7	Confident	78.3	Confident	4 Å²	4	73.8 Å²	73.8	2%	0.021	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	5.5	178.6	-65.8	179.1	0	0	0	113.4	V705 L823 R824 K825 L829 L865	V705-L827 WeakPolarHBondContact O-CD1 3.29Å; L823-L827 HydrophobicContact CD1-CD1 3.7Å; L823-L827 HydrophobicContact CD1-CD2 4.38Å; L823-L827 HydrophobicContact CD1-CG 3.8Å; L823-L827 HydrophobicContact CD2-CD1 4.36Å; L823-L827 HydrophobicContact CG-CD1 3.78Å; L823-L827 HydrophobicContact CG-CG 4.22Å; L823-L827 WeakPolarHBondContact O-CB 3.4Å; L823-L827 WeakPolarHBondContact O-CG 3.35Å; L823-L827 PolarHBondContact O-N 2.79Å; R824-L827 PolarHBondContact O-N 2.77Å; K825-L827 VanDerWaalsContact C-N 3.33Å; K825-L827 PolarHBondContact O-N 2.89Å; L827-L829 HydrophobicContact CB-CD1 3.92Å; L827-L829 HydrophobicContact CB-CG 3.76Å; L827-L829 HydrophobicContact CD1-CD1 4.04Å; L827-L829 PolarHBondContact O-N 2.85Å; L827-L829 VanDerWaalsContact O-N 3.15Å; L827-L865 HydrophobicContact CD2-CB 3.81Å; L827-L865 HydrophobicContact CD2-CD1 4.03Å; L827-L865 HydrophobicContact CD2-CG 4.49Å
828	N	73.5	Confident	78.4	Confident	145 Å²	145	72.7 Å²	72.7	78%	0.775	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	33.9	-177.2	-66	-39.3	0	0	0	113.7	R824 K825 N826 A830	R824-N828 PolarHBondContact O-N 2.82Å; K825-N828 PolarHBondContact O-N 3.49Å; N826-N828 PolarHBondContact O-N 3.14Å; N828-A830 PolarHBondContact O-N 3.36Å; N828-A830 VanDerWaalsContact O-N 3.08Å
829	L	72.3	Confident	78.6	Confident	23 Å²	23	73.1 Å²	73.1	12%	0.12	39%	0.389	C	S	.	.			trans	-77.5	98.1	-177.8	-68	172.9	0	0	0	110.3	H704 Q709 R824 L827	H704-L829 WeakPolarHBondContact O-CD1 3.32Å; Q709-L829 HydrophobicContact CB-CD2 4.35Å; Q709-L829 HydrophobicContact CG-CD2 3.52Å; Q709-L829 VanDerWaalsContact OE1-CD2 3.28Å; R824-L829 HydrophobicContact CB-CD1 4.46Å; R824-L829 HydrophobicContact CG-CB 3.5Å; R824-L829 VanDerWaalsContact CG-CB 3.5Å; R824-L829 HydrophobicContact CG-CD1 3.83Å; R824-L829 HydrophobicContact CG-CG 4.21Å; R824-L829 PolarHBondContact NE-O 3.35Å; R824-L829 PolarHBondContact O-N 3.42Å; L827-L829 HydrophobicContact CB-CD1 3.92Å; L827-L829 HydrophobicContact CB-CG 3.76Å; L827-L829 HydrophobicContact CD1-CD1 4.04Å; L827-L829 PolarHBondContact O-N 2.85Å; L827-L829 VanDerWaalsContact O-N 3.15Å
830	A	58.1	Low	78.9	Confident	101 Å²	101	73.1 Å²	73.1	84%	0.835	40%	0.397	S	S	*	.			trans	-56.8	137.1	177.3	0	0	0	0	0	112.5	R824 N828	R824-A830 PolarHBondContact NH2-O 2.84Å; R824-A830 VanDerWaalsContact NH2-O 3.12Å; N828-A830 PolarHBondContact O-N 3.36Å; N828-A830 VanDerWaalsContact O-N 3.08Å
831	G	63.2	Low	79.2	Confident	49 Å²	49	73.3 Å²	73.3	51%	0.505	40%	0.398	S	S	.	.	S	Bend	trans	126.8	145.4	174.6	0	0	0	0	0	112.8	R824	R824-G831 PolarHBondContact NH1-O 2.79Å; R824-G831 VanDerWaalsContact NH2-CA 3.29Å; R824-G831 PolarHBondContact NH2-O 2.83Å
832	N	65	Low	79.5	Confident	174 Å²	174	72.1 Å²	72.1	93%	0.93	39%	0.393	S	S	*	.			trans	-87	114.3	168.5	-68.8	-10.8	0	0	0	106.9
833	C	70.4	Confident	79.9	Confident	20 Å²	20	68.9 Å²	68.9	14%	0.135	39%	0.385	C	S	.	.			trans	-104.6	134.7	173.4	179.5	0	0	0	0	106.1	E837 L838	C833-E837 VanDerWaalsContact CA-OE2 3.24Å; C833-E837 WeakPolarHBondContact CA-OE2 3.21Å; C833-E837 WeakPolarHBondContact SG-CB 3.4Å; C833-E837 PolarHBondContact SG-OE2 3.1Å; C833-L838 HydrophobicContact CB-CD2 4.25Å; C833-L838 HydrophobicContact CB-CG 4.49Å; C833-L838 VanDerWaalsContact SG-CD2 3.57Å
834	S	81.8	Confident	80.2	Confident	53 Å²	53	71.3 Å²	71.3	37%	0.371	40%	0.4	S	S	.	.			trans	-69.6	156.6	179.8	67.3	0	0	0	0	110.5	D836 E837 L838	S834-D836 PolarHBondContact O-N 3.27Å; S834-E837 PolarHBondContact N-OE2 2.85Å; S834-E837 PolarHBondContact O-N 3.04Å; S834-E837 VanDerWaalsContact OG-CG 3.27Å; S834-E837 WeakPolarHBondContact OG-CG 3.4Å; S834-E837 PolarHBondContact OG-N 2.74Å; S834-L838 PolarHBondContact O-N 3.43Å; S834-L838 VanDerWaalsContact O-N 3.17Å
835	N	83.7	Confident	80.7	Confident	84 Å²	84	69.9 Å²	69.9	45%	0.449	40%	0.396	S	S	.	.	H	α-helix	trans	-57.9	-30.1	174.3	-74	-16.4	0	0	0	112.3	Q821 L838 K839	Q821-N835 PolarHBondContact NE2-OD1 2.79Å; N835-L838 PolarHBondContact O-N 3.17Å; N835-K839 WeakPolarHBondContact O-CG 3.24Å; N835-K839 PolarHBondContact O-N 3.35Å
836	D	86	Confident	81	Confident	111 Å²	111	67.1 Å²	67.1	59%	0.594	38%	0.381	S	S	*	.	H	α-helix	trans	-75.6	-36.3	-178.8	-64	-27	0	0	0	111.9	S834 L838 K839 A840	S834-D836 PolarHBondContact O-N 3.27Å; D836-L838 VanDerWaalsContact C-N 3.34Å; D836-K839 PolarHBondContact O-N 2.87Å; D836-K839 IonicContact OD1-NZ 3.57Å; D836-A840 WeakPolarHBondContact O-CB 3.1Å; D836-A840 PolarHBondContact O-N 3.23Å
837	E	86.9	Confident	81.4	Confident	92 Å²	92	66.4 Å²	66.4	43%	0.43	37%	0.374	S	S	.	.	H	α-helix	trans	-64	-38.1	170.6	-74.8	165.5	-177	0	0	111.9	C833 S834 A840 C841	C833-E837 VanDerWaalsContact CA-OE2 3.24Å; C833-E837 WeakPolarHBondContact CA-OE2 3.21Å; C833-E837 WeakPolarHBondContact SG-CB 3.4Å; C833-E837 PolarHBondContact SG-OE2 3.1Å; S834-E837 PolarHBondContact N-OE2 2.85Å; S834-E837 PolarHBondContact O-N 3.04Å; S834-E837 VanDerWaalsContact OG-CG 3.27Å; S834-E837 WeakPolarHBondContact OG-CG 3.4Å; S834-E837 PolarHBondContact OG-N 2.74Å; E837-A840 PolarHBondContact O-N 3.48Å; E837-C841 WeakPolarHBondContact O-CB 3.46Å; E837-C841 PolarHBondContact O-N 3.42Å
838	L	86.8	Confident	82	Confident	4 Å²	4	67.8 Å²	67.8	2%	0.021	38%	0.38	C	S	.	.	H	α-helix	trans	-68.2	-39.1	175.4	-64.7	-179.5	0	0	0	112.3	V817 L820 Q821 C833 S834 N835 D836 A840 C841 I842	V817-L838 HydrophobicContact CG1-CB 3.92Å; V817-L838 HydrophobicContact CG1-CD1 4.05Å; L820-L838 HydrophobicContact CD2-CB 4.09Å; L820-L838 HydrophobicContact CD2-CD2 3.78Å; L820-L838 HydrophobicContact CD2-CG 4.45Å; L820-L838 HydrophobicContact CG-CD2 4Å; Q821-L838 HydrophobicContact CG-CD1 3.31Å; C833-L838 HydrophobicContact CB-CD2 4.25Å; C833-L838 HydrophobicContact CB-CG 4.49Å; C833-L838 VanDerWaalsContact SG-CD2 3.57Å; S834-L838 PolarHBondContact O-N 3.43Å; S834-L838 VanDerWaalsContact O-N 3.17Å; N835-L838 PolarHBondContact O-N 3.17Å; D836-L838 VanDerWaalsContact C-N 3.34Å; L838-A840 VanDerWaalsContact C-N 3.35Å; L838-C841 WeakPolarHBondContact O-CB 3.49Å; L838-C841 PolarHBondContact O-N 2.99Å; L838-I842 WeakPolarHBondContact O-CG1 3.37Å; L838-I842 PolarHBondContact O-N 3.44Å; L838-I842 VanDerWaalsContact O-N 3.12Å
839	K	89.2	Confident	82.6	Confident	115 Å²	115	65.1 Å²	65.1	50%	0.5	36%	0.363	S	S	.	.	H	α-helix	trans	-62.7	-43	171	-72.6	171.5	-172.9	167.4	0	111.4	V817 N835 D836 C841 I842 E843	V817-K839 HydrophobicContact CG2-CG 3.58Å; N835-K839 WeakPolarHBondContact O-CG 3.24Å; N835-K839 PolarHBondContact O-N 3.35Å; D836-K839 PolarHBondContact O-N 2.87Å; D836-K839 IonicContact OD1-NZ 3.57Å; K839-C841 VanDerWaalsContact C-N 3.28Å; K839-C841 PolarHBondContact O-N 2.72Å; K839-I842 PolarHBondContact O-N 2.85Å; K839-E843 PolarHBondContact O-N 3.39Å
840	A	89.6	Confident	83	Confident	51 Å²	51	67.7 Å²	67.7	42%	0.421	38%	0.376	S	S	.	.	H	α-helix	trans	-62.5	-36.2	176	0	0	0	0	0	111.8	D836 E837 L838 T844	D836-A840 WeakPolarHBondContact O-CB 3.1Å; D836-A840 PolarHBondContact O-N 3.23Å; E837-A840 PolarHBondContact O-N 3.48Å; L838-A840 VanDerWaalsContact C-N 3.35Å; A840-T844 WeakPolarHBondContact O-CB 3.16Å; A840-T844 PolarHBondContact O-N 3.01Å; A840-T844 PolarHBondContact O-OG1 3.28Å
841	C	88.3	Confident	84	Confident	6 Å²	6	66.8 Å²	66.8	4%	0.041	35%	0.351	C	S	.	.	H	α-helix	trans	-60.1	-48.1	172.8	174.7	0	0	0	0	111.8	A703 L820 E837 L838 K839 T844 S845	A703-C841 PolarHBondContact O-SG 2.94Å; L820-C841 HydrophobicContact CD2-CB 4.34Å; E837-C841 WeakPolarHBondContact O-CB 3.46Å; E837-C841 PolarHBondContact O-N 3.42Å; L838-C841 WeakPolarHBondContact O-CB 3.49Å; L838-C841 PolarHBondContact O-N 2.99Å; K839-C841 VanDerWaalsContact C-N 3.28Å; K839-C841 PolarHBondContact O-N 2.72Å; C841-T844 PolarHBondContact O-N 3.01Å; C841-S845 PolarHBondContact O-N 3.29Å
842	I	90.4	Very high	84.8	Confident	34 Å²	34	66 Å²	66	17%	0.174	33%	0.334	C	S	.	.	H	α-helix	trans	-63.3	-46.4	178.8	-65.1	164.9	0	0	0	110.6	P813 V817 L820 L838 K839 T844 S845 R846	P813-I842 HydrophobicContact CG-CG1 4.38Å; V817-I842 HydrophobicContact CG2-CD1 3.85Å; L820-I842 HydrophobicContact CD2-CD1 4.34Å; L820-I842 HydrophobicContact CD2-CG1 4.11Å; L838-I842 WeakPolarHBondContact O-CG1 3.37Å; L838-I842 PolarHBondContact O-N 3.44Å; L838-I842 VanDerWaalsContact O-N 3.12Å; K839-I842 PolarHBondContact O-N 2.85Å; I842-T844 VanDerWaalsContact C-N 3.34Å; I842-T844 PolarHBondContact O-N 2.96Å; I842-S845 VanDerWaalsContact O-CB 3.24Å; I842-S845 WeakPolarHBondContact O-CB 3.42Å; I842-S845 PolarHBondContact O-N 2.93Å; I842-S845 VanDerWaalsContact O-N 3.16Å; I842-R846 PolarHBondContact O-N 3.45Å
843	E	90.5	Very high	85.5	Confident	90 Å²	90	58.5 Å²	58.5	42%	0.421	30%	0.298	S	S	.	.	H	α-helix	trans	-63.4	-41	177.9	-176.1	56.3	-152.5	0	0	111.8	K839 S845 R846 K847	K839-E843 PolarHBondContact O-N 3.39Å; E843-S845 VanDerWaalsContact C-N 3.32Å; E843-S845 PolarHBondContact O-N 2.96Å; E843-R846 WeakPolarHBondContact O-CB 3.35Å; E843-R846 PolarHBondContact O-N 3.44Å; E843-K847 WeakPolarHBondContact O-CG 3.15Å; E843-K847 PolarHBondContact O-N 3.38Å; E843-K847 WeakPolarHBondContact OE1-CE 3.2Å
844	T	90.4	Very high	85.8	Confident	59 Å²	59	57.9 Å²	57.9	36%	0.362	29%	0.293	S	S	.	.	H	α-helix	trans	-62.4	-40.6	174.4	-58.6	0	0	0	0	111.1	P702 A840 C841 I842 R846 K847 M848	P702-T844 HydrophobicContact CB-CG2 4.29Å; A840-T844 WeakPolarHBondContact O-CB 3.16Å; A840-T844 PolarHBondContact O-N 3.01Å; A840-T844 PolarHBondContact O-OG1 3.28Å; C841-T844 PolarHBondContact O-N 3.01Å; I842-T844 VanDerWaalsContact C-N 3.34Å; I842-T844 PolarHBondContact O-N 2.96Å; T844-R846 VanDerWaalsContact C-N 3.34Å; T844-R846 PolarHBondContact O-N 3.21Å; T844-K847 PolarHBondContact O-N 3.4Å; T844-M848 HydrophobicContact CG2-CE 3.65Å; T844-M848 HydrophobicContact CG2-CG 4.42Å; T844-M848 HydrophobicContact CG2-SD 4.27Å; T844-M848 WeakPolarHBondContact O-CB 3.41Å; T844-M848 VanDerWaalsContact O-CG 3.29Å; T844-M848 WeakPolarHBondContact O-CG 3.49Å; T844-M848 PolarHBondContact O-N 2.89Å
845	S	91.6	Very high	85.8	Confident	5 Å²	5	55.5 Å²	55.5	4%	0.035	28%	0.276	C	S	.	.	H	α-helix	trans	-56.6	-48.9	174.2	-159.4	0	0	0	0	111.4	F810 S812 P813 C841 I842 E843 K847 M848 E849	F810-S845 VanDerWaalsContact CZ-OG 3.31Å; F810-S845 WeakPolarHBondContact CZ-OG 3.3Å; S812-S845 PolarHBondContact OG-OG 3.06Å; P813-S845 WeakPolarHBondContact CD-OG 3.33Å; C841-S845 PolarHBondContact O-N 3.29Å; I842-S845 VanDerWaalsContact O-CB 3.24Å; I842-S845 WeakPolarHBondContact O-CB 3.42Å; I842-S845 PolarHBondContact O-N 2.93Å; I842-S845 VanDerWaalsContact O-N 3.16Å; E843-S845 VanDerWaalsContact C-N 3.32Å; E843-S845 PolarHBondContact O-N 2.96Å; S845-K847 VanDerWaalsContact C-N 3.34Å; S845-K847 PolarHBondContact O-N 3Å; S845-M848 WeakPolarHBondContact O-CB 3.37Å; S845-M848 PolarHBondContact O-N 3.36Å; S845-M848 VanDerWaalsContact O-N 3.1Å; S845-E849 PolarHBondContact O-N 3.03Å
846	R	89.5	Confident	86.1	Confident	100 Å²	100	52.4 Å²	52.4	38%	0.377	26%	0.259	S	S	.	.	H	α-helix	trans	-59.8	-44.4	179.9	-168.9	-179.6	-174	168	3.9	111.6	I842 E843 T844 M848 E849 L850	I842-R846 PolarHBondContact O-N 3.45Å; E843-R846 WeakPolarHBondContact O-CB 3.35Å; E843-R846 PolarHBondContact O-N 3.44Å; T844-R846 VanDerWaalsContact C-N 3.34Å; T844-R846 PolarHBondContact O-N 3.21Å; R846-M848 VanDerWaalsContact C-N 3.35Å; R846-M848 PolarHBondContact O-N 2.94Å; R846-E849 PolarHBondContact O-N 3.46Å; R846-L850 HydrophobicContact CG-CD1 4.39Å; R846-L850 VanDerWaalsContact O-CG 3.3Å; R846-L850 WeakPolarHBondContact O-CG 3.48Å; R846-L850 PolarHBondContact O-N 3.34Å
847	K	87.5	Confident	86.3	Confident	75 Å²	75	48.9 Å²	48.9	33%	0.326	24%	0.24	S	C	.	.	H	α-helix	trans	-62.8	-40.2	174.9	-68.5	-173.5	-178.7	-150.1	0	112.1	E468 E843 T844 S845 R851	E468-K847 IonicContact OE1-NZ 2.69Å; E468-K847 IonicContact OE2-NZ 2.73Å; E843-K847 WeakPolarHBondContact O-CG 3.15Å; E843-K847 PolarHBondContact O-N 3.38Å; E843-K847 WeakPolarHBondContact OE1-CE 3.2Å; T844-K847 PolarHBondContact O-N 3.4Å; S845-K847 VanDerWaalsContact C-N 3.34Å; S845-K847 PolarHBondContact O-N 3Å; K847-R851 WeakPolarHBondContact O-CB 3.35Å; K847-R851 WeakPolarHBondContact O-CG 3.46Å; K847-R851 PolarHBondContact O-N 3.35Å; K847-R851 VanDerWaalsContact O-N 3.11Å
848	M	87.6	Confident	86.5	Confident	33 Å²	33	48.3 Å²	48.3	16%	0.163	23%	0.234	C	C	.	.	H	α-helix	trans	-64.4	-43.4	176.7	-73.8	179.3	177.5	0	0	112.1	P702 P793 F810 T844 S845 R846 R851 F852	P702-M848 HydrophobicContact CB-SD 4.46Å; P793-M848 HydrophobicContact CG-CE 4.03Å; P793-M848 HydrophobicContact CG-CG 4.41Å; P793-M848 HydrophobicContact CG-SD 4.4Å; F810-M848 HydrophobicContact CE2-CB 4.09Å; F810-M848 HydrophobicContact CE2-SD 4.34Å; F810-M848 HydrophobicContact CZ-CB 4.22Å; T844-M848 HydrophobicContact CG2-CE 3.65Å; T844-M848 HydrophobicContact CG2-CG 4.42Å; T844-M848 HydrophobicContact CG2-SD 4.27Å; T844-M848 WeakPolarHBondContact O-CB 3.41Å; T844-M848 VanDerWaalsContact O-CG 3.29Å; T844-M848 WeakPolarHBondContact O-CG 3.49Å; T844-M848 PolarHBondContact O-N 2.89Å; S845-M848 WeakPolarHBondContact O-CB 3.37Å; S845-M848 PolarHBondContact O-N 3.36Å; S845-M848 VanDerWaalsContact O-N 3.1Å; R846-M848 VanDerWaalsContact C-N 3.35Å; R846-M848 PolarHBondContact O-N 2.94Å; M848-R851 PolarHBondContact O-N 3.48Å; M848-F852 WeakPolarHBondContact O-CA 3.38Å; M848-F852 WeakPolarHBondContact O-CB 3.21Å; M848-F852 PolarHBondContact O-N 3.45Å
849	E	86.2	Confident	86.7	Confident	89 Å²	89	51 Å²	51	42%	0.416	25%	0.25	S	S	.	.	H	α-helix	trans	-67.3	-39.6	179.6	-169.8	174.2	-165.7	0	0	112.4	K405 S845 R846 G853	K405-E849 PolarHBondContact NZ-O 2.92Å; S845-E849 PolarHBondContact O-N 3.03Å; R846-E849 PolarHBondContact O-N 3.46Å; E849-G853 WeakPolarHBondContact O-CA 3.44Å; E849-G853 PolarHBondContact O-N 3.49Å
850	L	80.2	Confident	86.9	Confident	76 Å²	76	45.6 Å²	45.6	40%	0.398	23%	0.227	S	C	.	.	H	α-helix	trans	-59.9	-52.8	173.6	-73.5	168.2	0	0	0	111.3	K405 R846	K405-L850 PolarHBondContact NZ-O 2.82Å; K405-L850 VanDerWaalsContact NZ-O 3.12Å; R846-L850 HydrophobicContact CG-CD1 4.39Å; R846-L850 VanDerWaalsContact O-CG 3.3Å; R846-L850 WeakPolarHBondContact O-CG 3.48Å; R846-L850 PolarHBondContact O-N 3.34Å
851	R	78.3	Confident	87	Confident	82 Å²	82	47.9 Å²	47.9	31%	0.309	23%	0.231	S	C	.	.	H	α-helix	trans	-74.6	-47.5	-175	-66.3	-179	-174.4	-157.5	-2.1	113.1	E470 K847 M848 H854	E470-R851 IonicContact OE1-CZ 3.96Å; E470-R851 IonicContact OE1-NH1 2.98Å; E470-R851 PolarHBondContact OE1-NH1 3.28Å; K847-R851 WeakPolarHBondContact O-CB 3.35Å; K847-R851 WeakPolarHBondContact O-CG 3.46Å; K847-R851 PolarHBondContact O-N 3.35Å; K847-R851 VanDerWaalsContact O-N 3.11Å; M848-R851 PolarHBondContact O-N 3.48Å; R851-H854 PolarHBondContact O-CE1 3.45Å; R851-H854 VanDerWaalsContact O-CE1 3.24Å; R851-H854 PolarHBondContact O-ND1 3.23Å
852	F	81.8	Confident	87	Confident	33 Å²	33	47.9 Å²	47.9	15%	0.145	23%	0.231	C	C	.	.	H	α-helix	trans	-112.1	-5.1	-168.9	-56.3	-76	0	0	0	114.3	P793 D794 M848 H854 W855 F856	P793-F852 HydrophobicContact CB-CB 4.43Å; P793-F852 HydrophobicContact CB-CD1 4.25Å; P793-F852 HydrophobicContact CB-CD2 3.5Å; P793-F852 VanDerWaalsContact CB-CD2 3.5Å; P793-F852 HydrophobicContact CB-CE1 4.38Å; P793-F852 HydrophobicContact CB-CE2 3.65Å; P793-F852 HydrophobicContact CB-CG 3.8Å; P793-F852 HydrophobicContact CB-CZ 4.09Å; P793-F852 HydrophobicContact CG-CD2 4.22Å; P793-F852 HydrophobicContact CG-CE2 4.02Å; D794-F852 WeakPolarHBondContact OD1-CZ 3.23Å; M848-F852 WeakPolarHBondContact O-CA 3.38Å; M848-F852 WeakPolarHBondContact O-CB 3.21Å; M848-F852 PolarHBondContact O-N 3.45Å; F852-H854 PolarHBondContact O-N 3Å; F852-H854 PolarHBondContact O-ND1 3.34Å; F852-W855 AromaticContact CD1-CE3 3.91Å; F852-W855 HydrophobicContact CD1-CE3 3.91Å; F852-W855 AromaticContact CD1-CZ3 3.63Å; F852-W855 HydrophobicContact CD1-CZ3 3.63Å; F852-W855 HydrophobicContact CE1-CZ3 4.05Å; F852-W855 PolarHBondContact O-N 3.11Å; F852-F856 HydrophobicContact CB-CE1 3.91Å; F852-F856 HydrophobicContact CB-CZ 3.76Å
853	G	79.1	Confident	86.8	Confident	17 Å²	17	52.9 Å²	52.9	18%	0.175	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-54.8	-24.4	-173.9	0	0	0	0	0	116	E849 W855 F856	E849-G853 WeakPolarHBondContact O-CA 3.44Å; E849-G853 PolarHBondContact O-N 3.49Å; G853-W855 PolarHBondContact O-N 2.95Å; G853-F856 VanDerWaalsContact CA-CD2 3.46Å; G853-F856 PolarHBondContact O-N 2.85Å
854	H	76.7	Confident	86.6	Confident	6 Å²	6	51.1 Å²	51.1	3%	0.028	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-70.7	-19.3	178.4	59.9	-60.1	0	0	0	113.3	L383 W679 R851 F852	L383-H854 HydrophobicContact CD2-CB 3.92Å; W679-H854 AromaticContact CE3-CD2 3.78Å; W679-H854 AromaticContact CE3-CE1 3.94Å; W679-H854 AromaticContact CE3-CG 3.88Å; W679-H854 AromaticContact CE3-ND1 3.94Å; W679-H854 AromaticContact CE3-NE2 3.81Å; W679-H854 AromaticContact CH2-CE1 2.98Å; W679-H854 WeakPolarHBondContact CH2-CE1 3.47Å; W679-H854 AromaticContact CH2-ND1 3.68Å; W679-H854 AromaticContact CH2-NE2 3.18Å; W679-H854 WeakPolarHBondContact CH2-NE2 3.33Å; W679-H854 AromaticContact CZ2-NE2 3.82Å; W679-H854 AromaticContact CZ3-CD2 3.56Å; W679-H854 AromaticContact CZ3-CE1 2.95Å; W679-H854 WeakPolarHBondContact CZ3-CE1 2.95Å; W679-H854 AromaticContact CZ3-CG 3.53Å; W679-H854 AromaticContact CZ3-ND1 3.11Å; W679-H854 WeakPolarHBondContact CZ3-ND1 3.25Å; W679-H854 AromaticContact CZ3-NE2 3.2Å; W679-H854 WeakPolarHBondContact CZ3-NE2 3.4Å; R851-H854 PolarHBondContact O-CE1 3.45Å; R851-H854 VanDerWaalsContact O-CE1 3.24Å; R851-H854 PolarHBondContact O-ND1 3.23Å; F852-H854 PolarHBondContact O-N 3Å; F852-H854 PolarHBondContact O-ND1 3.34Å
855	W	82.4	Confident	86.5	Confident	4 Å²	4	49.8 Å²	49.8	2%	0.015	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-93.7	-6.2	175.3	-69.5	-23.2	0	0	0	113.1	Y672 L796 R797 V808 F852 G853	Y672-W855 AromaticContact CD2-CZ2 3.85Å; Y672-W855 HydrophobicContact CD2-CZ2 3.85Å; Y672-W855 AromaticContact CD2-NE1 3.64Å; Y672-W855 AromaticContact CE2-NE1 3.42Å; L796-W855 HydrophobicContact CB-CD2 4.42Å; L796-W855 HydrophobicContact CB-CE3 3.53Å; L796-W855 HydrophobicContact CB-CZ3 3.95Å; L796-W855 HydrophobicContact CD1-CB 4.3Å; L796-W855 HydrophobicContact CD1-CE3 4.03Å; L796-W855 HydrophobicContact CG-CE3 4.46Å; R797-W855 HydrophobicContact CB-CH2 3.87Å; R797-W855 HydrophobicContact CB-CZ3 4.27Å; R797-W855 HydrophobicContact CG-CH2 4.36Å; V808-W855 VanDerWaalsContact CB-O 3.27Å; V808-W855 WeakPolarHBondContact CB-O 3.32Å; F852-W855 AromaticContact CD1-CE3 3.91Å; F852-W855 HydrophobicContact CD1-CE3 3.91Å; F852-W855 AromaticContact CD1-CZ3 3.63Å; F852-W855 HydrophobicContact CD1-CZ3 3.63Å; F852-W855 HydrophobicContact CE1-CZ3 4.05Å; F852-W855 PolarHBondContact O-N 3.11Å; G853-W855 PolarHBondContact O-N 2.95Å
856	F	88.8	Confident	86.4	Confident	18 Å²	18	54 Å²	54	8%	0.079	26%	0.261	C	S	.	.			trans	-82.7	124.3	177.8	-52.2	-23.2	0	0	0	108.6	V700 L796 V808 F810 F852 G853	V700-F856 HydrophobicContact CB-CE1 4.4Å; V700-F856 HydrophobicContact CG1-CE1 4.1Å; V700-F856 HydrophobicContact CG1-CZ 4.36Å; L796-F856 HydrophobicContact CD1-CD1 4.25Å; L796-F856 HydrophobicContact CD1-CE1 3.76Å; V808-F856 HydrophobicContact CG1-CD1 3.8Å; F810-F856 HydrophobicContact CB-CB 4.05Å; F810-F856 HydrophobicContact CB-CD1 4.11Å; F810-F856 HydrophobicContact CB-CD2 3.35Å; F810-F856 HydrophobicContact CB-CE1 4.44Å; F810-F856 HydrophobicContact CB-CE2 3.75Å; F810-F856 HydrophobicContact CB-CG 3.58Å; F810-F856 HydrophobicContact CB-CZ 4.29Å; F810-F856 AromaticContact CD1-CD2 3.92Å; F810-F856 HydrophobicContact CD1-CD2 3.92Å; F810-F856 AromaticContact CD1-CE2 3.8Å; F810-F856 HydrophobicContact CD1-CE2 3.8Å; F810-F856 AromaticContact CD2-CD2 3.89Å; F810-F856 HydrophobicContact CD2-CD2 3.89Å; F810-F856 HydrophobicContact CD2-CE1 4.08Å; F810-F856 AromaticContact CD2-CE2 3.3Å; F810-F856 HydrophobicContact CD2-CE2 3.3Å; F810-F856 AromaticContact CD2-CZ 3.42Å; F810-F856 HydrophobicContact CD2-CZ 3.42Å; F810-F856 VanDerWaalsContact CD2-CZ 3.42Å; F810-F856 HydrophobicContact CE1-CE2 4.19Å; F810-F856 AromaticContact CE2-CE2 3.72Å; F810-F856 HydrophobicContact CE2-CE2 3.72Å; F810-F856 AromaticContact CE2-CZ 3.82Å; F810-F856 HydrophobicContact CE2-CZ 3.82Å; F810-F856 AromaticContact CG-CD2 3.47Å; F810-F856 HydrophobicContact CG-CD2 3.47Å; F810-F856 VanDerWaalsContact CG-CD2 3.47Å; F810-F856 AromaticContact CG-CE2 3.34Å; F810-F856 HydrophobicContact CG-CE2 3.34Å; F810-F856 HydrophobicContact CG-CG 4.16Å; F810-F856 AromaticContact CG-CZ 3.93Å; F810-F856 HydrophobicContact CG-CZ 3.93Å; F810-F856 HydrophobicContact CZ-CE2 4.15Å; F852-F856 HydrophobicContact CB-CE1 3.91Å; F852-F856 HydrophobicContact CB-CZ 3.76Å; G853-F856 VanDerWaalsContact CA-CD2 3.46Å; G853-F856 PolarHBondContact O-N 2.85Å
857	D	90	Very high	86.5	Confident	37 Å²	37	52.4 Å²	52.4	20%	0.198	26%	0.263	C	S	.	.	S	Bend	trans	-83.2	-28.4	175.2	-60.4	-66.1	0	0	0	111.2	R381 Y807 V808	R381-D857 IonicContact NH1-OD1 2.65Å; R381-D857 PolarHBondContact NH1-OD1 3.14Å; Y807-D857 WeakPolarHBondContact CA-OD2 3.47Å; Y807-D857 HydrophobicContact CD2-CB 3.83Å; Y807-D857 HydrophobicContact CE1-CB 4.23Å; Y807-D857 HydrophobicContact CE2-CB 3.45Å; Y807-D857 VanDerWaalsContact CE2-CB 3.45Å; Y807-D857 HydrophobicContact CG-CB 4.35Å; V808-D857 PolarHBondContact N-OD2 3.13Å; V808-D857 PolarHBondContact O-N 2.78Å
858	R	91.1	Very high	86.7	Confident	80 Å²	80	49 Å²	49	30%	0.302	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	135.4	176.7	-168.4	68.8	175.2	-177.2	2	111.2	Y807 V808 I809 F810 I860 E871 L875	Y807-R858 HydrophobicContact CE1-CB 4.23Å; V808-R858 PolarHBondContact O-N 3.34Å; I809-R858 CarbonylContact C-O 3.6Å; I809-R858 WeakPolarHBondContact CA-O 3.44Å; F810-R858 PolarHBondContact N-O 2.99Å; R858-I860 HydrophobicContact CG-CD1 4.43Å; R858-I860 HydrophobicContact CG-CG1 3.95Å; R858-E871 IonicContact NH2-OE1 3.96Å; R858-L875 HydrophobicContact CG-CD1 4.06Å
859	V	91.7	Very high	87	Confident	61 Å²	61	47.4 Å²	47.4	37%	0.37	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	128.1	166.9	-179.8	0	0	0	0	108.4	F810	F810-V859 HydrophobicContact CB-CG2 4.31Å; F810-V859 HydrophobicContact CD1-CG1 4.02Å; F810-V859 HydrophobicContact CD1-CG2 4.22Å; F810-V859 CarbonylContact O-C 3.5Å; F810-V859 WeakPolarHBondContact O-CA 3.37Å
860	I	93	Very high	87.4	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	126.5	177	-59.3	178.9	0	0	0	108	I809 F810 I811 S812 R858 P862 T868 L872 L875	I809-I860 HydrophobicContact CG2-CD1 3.6Å; I809-I860 HydrophobicContact CG2-CG1 4.02Å; F810-I860 PolarHBondContact O-N 3.41Å; I811-I860 WeakPolarHBondContact CA-O 2.87Å; I811-I860 HydrophobicContact CD1-CB 4.09Å; S812-I860 PolarHBondContact N-O 3.16Å; R858-I860 HydrophobicContact CG-CD1 4.43Å; R858-I860 HydrophobicContact CG-CG1 3.95Å; I860-P862 WeakPolarHBondContact O-CD 3.49Å; I860-T868 HydrophobicContact CG2-CG2 4.03Å; I860-L872 HydrophobicContact CD1-CD2 3.56Å; I860-L872 HydrophobicContact CD1-CG 4.26Å; I860-L875 HydrophobicContact CD1-CD1 3.74Å
861	I	92	Very high	88	Confident	99 Å²	99	45.2 Å²	45.2	51%	0.508	23%	0.233	S	C	.	.			trans	-99.8	106	170.5	-57.5	171.7	0	0	0	106.1	P814 E863	P814-I861 HydrophobicContact CB-CG2 4.45Å; I861-E863 PolarHBondContact O-N 3.32Å
862	P	89	Confident	88.8	Confident	5 Å²	5	41.3 Å²	41.3	3%	0.032	22%	0.218	C	C	.	.			trans	-69.7	135.2	-175.7	27.5	-31.2	0	0	0	110.4	V705 I710 I811 S812 L823 I860 T868	V705-P862 HydrophobicContact CG1-CG 4.03Å; I710-P862 HydrophobicContact CD1-CB 4.23Å; I710-P862 HydrophobicContact CD1-CG 4.48Å; I811-P862 HydrophobicContact CG2-CG 3.82Å; S812-P862 VanDerWaalsContact O-CD 3.26Å; S812-P862 WeakPolarHBondContact O-CD 3.38Å; L823-P862 HydrophobicContact CD1-CB 4.17Å; L823-P862 HydrophobicContact CD1-CG 4.27Å; L823-P862 WeakPolarHBondContact CD1-O 3.34Å; L823-P862 HydrophobicContact CD2-CG 3.76Å; I860-P862 WeakPolarHBondContact O-CD 3.49Å; P862-T868 WeakPolarHBondContact CA-OG1 3.45Å; P862-T868 HydrophobicContact CB-CG2 4.11Å; P862-T868 WeakPolarHBondContact CB-OG1 3.5Å
863	E	85.6	Confident	89.4	Confident	140 Å²	140	40.4 Å²	40.4	65%	0.654	21%	0.214	S	C	*	.	S	Bend	trans	-104.1	-54.3	175	-64.1	-179.1	168.1	0	0	111.1	L823 I861	L823-E863 WeakPolarHBondContact CD1-O 3.49Å; I861-E863 PolarHBondContact O-N 3.32Å
864	T	87	Confident	90.1	Very high	52 Å²	52	45.5 Å²	45.5	32%	0.319	23%	0.228	S	C	.	.			trans	-134.7	158.2	173	72	0	0	0	0	109.4	D866 T867 T868	T864-D866 VanDerWaalsContact C-N 3.32Å; T864-D866 PolarHBondContact O-N 2.88Å; T864-T867 PolarHBondContact N-OG1 3.29Å; T864-T867 PolarHBondContact O-OG1 3.39Å; T864-T867 WeakPolarHBondContact OG1-CB 3.42Å; T864-T867 VanDerWaalsContact OG1-CG2 3.23Å; T864-T867 WeakPolarHBondContact OG1-CG2 3.25Å; T864-T867 PolarHBondContact OG1-N 2.81Å; T864-T867 PolarHBondContact OG1-OG1 2.78Å; T864-T868 VanDerWaalsContact O-CB 3.31Å; T864-T868 WeakPolarHBondContact O-CB 3.5Å; T864-T868 PolarHBondContact O-N 3.29Å; T864-T868 VanDerWaalsContact O-N 3.09Å; T864-T868 PolarHBondContact O-OG1 3.14Å
865	L	87.8	Confident	90.9	Very high	32 Å²	32	45.5 Å²	45.5	17%	0.168	23%	0.229	C	C	.	.	H	α-helix	trans	-61.1	-42.6	-179.4	-172.6	61.8	0	0	0	111.5	I710 H713 L827 V869	I710-L865 HydrophobicContact CB-CD1 4.42Å; I710-L865 HydrophobicContact CG1-CD1 3.95Å; H713-L865 HydrophobicContact CB-CD1 3.84Å; H713-L865 HydrophobicContact CB-CD2 3.85Å; H713-L865 HydrophobicContact CB-CG 3.89Å; L827-L865 HydrophobicContact CD2-CB 3.81Å; L827-L865 HydrophobicContact CD2-CD1 4.03Å; L827-L865 HydrophobicContact CD2-CG 4.49Å; L865-V869 WeakPolarHBondContact O-CB 3.43Å; L865-V869 WeakPolarHBondContact O-CG2 3.4Å; L865-V869 PolarHBondContact O-N 2.82Å
866	D	89.5	Confident	91.3	Very high	93 Å²	93	45.5 Å²	45.5	50%	0.497	23%	0.229	S	C	.	.	H	α-helix	trans	-73.3	-39.3	-176.9	-65.5	-51	0	0	0	113.4	H713 R717 T864 T870	H713-D866 IonicContact CD2-OD1 3.87Å; H713-D866 IonicContact CE1-OD1 2.67Å; H713-D866 IonicContact NE2-OD1 2.65Å; H713-D866 PolarHBondContact NE2-OD1 3.47Å; R717-D866 PolarHBondContact NH1-O 2.76Å; T864-D866 VanDerWaalsContact C-N 3.32Å; T864-D866 PolarHBondContact O-N 2.88Å; D866-T870 WeakPolarHBondContact O-CB 3.33Å; D866-T870 PolarHBondContact O-N 3.07Å; D866-T870 PolarHBondContact O-OG1 3.43Å
867	T	91.9	Very high	91.5	Very high	66 Å²	66	47.4 Å²	47.4	41%	0.405	24%	0.24	S	C	.	.	H	α-helix	trans	-64.9	-46.2	175.5	56.6	0	0	0	0	110.5	T864 V869 T870 E871	T864-T867 PolarHBondContact N-OG1 3.29Å; T864-T867 PolarHBondContact O-OG1 3.39Å; T864-T867 WeakPolarHBondContact OG1-CB 3.42Å; T864-T867 VanDerWaalsContact OG1-CG2 3.23Å; T864-T867 WeakPolarHBondContact OG1-CG2 3.25Å; T864-T867 PolarHBondContact OG1-N 2.81Å; T864-T867 PolarHBondContact OG1-OG1 2.78Å; T867-V869 PolarHBondContact O-N 2.93Å; T867-T870 PolarHBondContact O-N 2.85Å; T867-E871 PolarHBondContact O-N 3.12Å
868	T	92.2	Very high	91.6	Very high	3 Å²	3	48.7 Å²	48.7	2%	0.018	24%	0.243	C	C	.	.	H	α-helix	trans	-60.7	-46.2	178.4	-51.6	0	0	0	0	111.4	I710 I860 P862 T864 T870 E871 L872	I710-T868 HydrophobicContact CD1-CG2 4.22Å; I710-T868 HydrophobicContact CG2-CG2 4.14Å; I860-T868 HydrophobicContact CG2-CG2 4.03Å; P862-T868 WeakPolarHBondContact CA-OG1 3.45Å; P862-T868 HydrophobicContact CB-CG2 4.11Å; P862-T868 WeakPolarHBondContact CB-OG1 3.5Å; T864-T868 VanDerWaalsContact O-CB 3.31Å; T864-T868 WeakPolarHBondContact O-CB 3.5Å; T864-T868 PolarHBondContact O-N 3.29Å; T864-T868 VanDerWaalsContact O-N 3.09Å; T864-T868 PolarHBondContact O-OG1 3.14Å; T868-T870 PolarHBondContact O-N 2.8Å; T868-E871 PolarHBondContact O-N 2.98Å; T868-L872 HydrophobicContact CG2-CD1 4.34Å; T868-L872 VanDerWaalsContact O-CG 3.32Å; T868-L872 WeakPolarHBondContact O-CG 3.32Å; T868-L872 PolarHBondContact O-N 2.94Å
869	V	92.9	Very high	91.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-66.9	-36.9	178.1	168.3	0	0	0	0	111.9	I710 H713 L714 R717 L865 T867 E871 L872 I873	I710-V869 HydrophobicContact CG2-CG2 4.37Å; H713-V869 HydrophobicContact CB-CG2 4.06Å; L714-V869 HydrophobicContact CB-CG1 4.42Å; L714-V869 HydrophobicContact CB-CG2 4.36Å; L714-V869 HydrophobicContact CD1-CG1 3.92Å; R717-V869 HydrophobicContact CB-CG1 4.46Å; L865-V869 WeakPolarHBondContact O-CB 3.43Å; L865-V869 WeakPolarHBondContact O-CG2 3.4Å; L865-V869 PolarHBondContact O-N 2.82Å; T867-V869 PolarHBondContact O-N 2.93Å; V869-E871 VanDerWaalsContact C-N 3.33Å; V869-E871 PolarHBondContact O-N 2.96Å; V869-L872 PolarHBondContact O-N 2.9Å; V869-I873 HydrophobicContact CG1-CD1 3.9Å; V869-I873 HydrophobicContact CG1-CG1 4.41Å; V869-I873 VanDerWaalsContact O-CG1 3.29Å; V869-I873 WeakPolarHBondContact O-CG1 3.37Å; V869-I873 PolarHBondContact O-N 2.91Å
870	T	94.2	Very high	91.4	Very high	65 Å²	65	46 Å²	46	40%	0.399	23%	0.231	S	C	.	.	H	α-helix	trans	-64	-40.3	174.3	-52.5	0	0	0	0	111.2	R717 D866 T867 T868 I873 R874	R717-T870 PolarHBondContact NH1-OG1 3.27Å; R717-T870 PolarHBondContact NH2-OG1 3.03Å; R717-T870 VanDerWaalsContact NH2-OG1 3.1Å; D866-T870 WeakPolarHBondContact O-CB 3.33Å; D866-T870 PolarHBondContact O-N 3.07Å; D866-T870 PolarHBondContact O-OG1 3.43Å; T867-T870 PolarHBondContact O-N 2.85Å; T868-T870 PolarHBondContact O-N 2.8Å; T870-I873 PolarHBondContact O-N 3.2Å; T870-R874 WeakPolarHBondContact O-CB 3.27Å; T870-R874 PolarHBondContact O-N 2.79Å
871	E	94.2	Very high	91.3	Very high	54 Å²	54	55.7 Å²	55.7	25%	0.252	27%	0.267	S	S	.	.	H	α-helix	trans	-62.3	-44.2	173.4	-171.3	-178.1	-178.7	0	0	111.4	R858 T867 T868 V869 I873 R874 L875	R858-E871 IonicContact NH2-OE1 3.96Å; T867-E871 PolarHBondContact O-N 3.12Å; T868-E871 PolarHBondContact O-N 2.98Å; V869-E871 VanDerWaalsContact C-N 3.33Å; V869-E871 PolarHBondContact O-N 2.96Å; E871-I873 PolarHBondContact O-N 2.9Å; E871-R874 WeakPolarHBondContact O-CB 3.46Å; E871-R874 PolarHBondContact O-N 2.81Å; E871-L875 HydrophobicContact CG-CD1 4.26Å; E871-L875 HydrophobicContact CG-CG 4.47Å; E871-L875 VanDerWaalsContact O-CG 3.29Å; E871-L875 WeakPolarHBondContact O-CG 3.48Å; E871-L875 PolarHBondContact O-N 3.46Å
872	L	94.3	Very high	91.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62	-41.3	177.2	-71.6	170.6	0	0	0	112.8	F699 I710 L714 I809 I860 T868 V869 L875 A876	F699-L872 HydrophobicContact CE1-CD1 3.79Å; F699-L872 HydrophobicContact CE1-CD2 3.78Å; F699-L872 HydrophobicContact CE1-CG 4.47Å; F699-L872 HydrophobicContact CZ-CD1 4.15Å; F699-L872 HydrophobicContact CZ-CD2 4.2Å; I710-L872 HydrophobicContact CG2-CD1 3.44Å; I710-L872 VanDerWaalsContact CG2-CD1 3.44Å; L714-L872 HydrophobicContact CD1-CB 4.21Å; L714-L872 HydrophobicContact CD2-CD1 4.45Å; I809-L872 HydrophobicContact CD1-CD2 3.68Å; I809-L872 HydrophobicContact CG2-CD2 4.29Å; I860-L872 HydrophobicContact CD1-CD2 3.56Å; I860-L872 HydrophobicContact CD1-CG 4.26Å; T868-L872 HydrophobicContact CG2-CD1 4.34Å; T868-L872 VanDerWaalsContact O-CG 3.32Å; T868-L872 WeakPolarHBondContact O-CG 3.32Å; T868-L872 PolarHBondContact O-N 2.94Å; V869-L872 PolarHBondContact O-N 2.9Å; L872-L875 PolarHBondContact O-N 2.97Å; L872-A876 PolarHBondContact O-N 3.04Å
873	I	93.7	Very high	91.3	Very high	14 Å²	14	58.5 Å²	58.5	7%	0.072	28%	0.284	C	S	.	.	H	α-helix	trans	-63.3	-44.7	175.1	-68.6	165.9	0	0	0	110.2	L714 R717 E718 F722 V869 T870 E871 L875 A876 I877	L714-I873 HydrophobicContact CD1-CD1 4.43Å; L714-I873 HydrophobicContact CD1-CG1 3.75Å; R717-I873 HydrophobicContact CG-CD1 4.25Å; E718-I873 HydrophobicContact CG-CD1 4.49Å; E718-I873 WeakPolarHBondContact OE1-CG2 3.41Å; F722-I873 HydrophobicContact CE2-CG1 4.09Å; F722-I873 HydrophobicContact CZ-CG1 4.36Å; V869-I873 HydrophobicContact CG1-CD1 3.9Å; V869-I873 HydrophobicContact CG1-CG1 4.41Å; V869-I873 VanDerWaalsContact O-CG1 3.29Å; V869-I873 WeakPolarHBondContact O-CG1 3.37Å; V869-I873 PolarHBondContact O-N 2.91Å; T870-I873 PolarHBondContact O-N 3.2Å; E871-I873 PolarHBondContact O-N 2.9Å; I873-L875 VanDerWaalsContact C-N 3.32Å; I873-L875 PolarHBondContact O-N 3.5Å; I873-A876 PolarHBondContact O-N 3.2Å; I873-I877 HydrophobicContact CG2-CD1 4Å; I873-I877 WeakPolarHBondContact O-CG1 3.24Å; I873-I877 PolarHBondContact O-N 2.89Å
874	R	93.9	Very high	91.6	Very high	124 Å²	124	52.9 Å²	52.9	47%	0.468	26%	0.259	S	S	.	.	H	α-helix	trans	-60.5	-42.9	176	-173.1	-168.9	67.1	79.6	0.4	111.4	T870 E871 I877 K878	T870-R874 WeakPolarHBondContact O-CB 3.27Å; T870-R874 PolarHBondContact O-N 2.79Å; E871-R874 WeakPolarHBondContact O-CB 3.46Å; E871-R874 PolarHBondContact O-N 2.81Å; R874-I877 PolarHBondContact O-N 3.17Å; R874-K878 PolarHBondContact O-N 2.93Å
875	L	93	Very high	91.8	Very high	7 Å²	7	53 Å²	53	4%	0.037	25%	0.253	C	S	.	.	H	α-helix	trans	-61.1	-47	175.1	-72.1	171.2	0	0	0	110.8	R858 I860 E871 L872 I873 I877 K878 L879	R858-L875 HydrophobicContact CG-CD1 4.06Å; I860-L875 HydrophobicContact CD1-CD1 3.74Å; E871-L875 HydrophobicContact CG-CD1 4.26Å; E871-L875 HydrophobicContact CG-CG 4.47Å; E871-L875 VanDerWaalsContact O-CG 3.29Å; E871-L875 WeakPolarHBondContact O-CG 3.48Å; E871-L875 PolarHBondContact O-N 3.46Å; L872-L875 PolarHBondContact O-N 2.97Å; I873-L875 VanDerWaalsContact C-N 3.32Å; I873-L875 PolarHBondContact O-N 3.5Å; L875-I877 VanDerWaalsContact C-N 3.32Å; L875-I877 PolarHBondContact O-N 3.02Å; L875-K878 WeakPolarHBondContact O-CA 3.3Å; L875-K878 WeakPolarHBondContact O-CB 3.47Å; L875-K878 PolarHBondContact O-N 3.43Å; L875-K878 VanDerWaalsContact O-N 3.07Å; L875-L879 WeakPolarHBondContact O-CG 3.42Å; L875-L879 PolarHBondContact O-N 3.23Å
876	A	92.2	Very high	91.9	Very high	3 Å²	3	51.5 Å²	51.5	3%	0.025	25%	0.246	C	C	.	.	H	α-helix	trans	-58.8	-41.1	176.8	0	0	0	0	0	112.6	F722 I786 L872 I873 L879 E880	F722-A876 HydrophobicContact CE1-CB 3.86Å; F722-A876 HydrophobicContact CZ-CB 3.73Å; I786-A876 HydrophobicContact CD1-CB 4.09Å; L872-A876 PolarHBondContact O-N 3.04Å; I873-A876 PolarHBondContact O-N 3.2Å; A876-L879 PolarHBondContact O-N 3.47Å; A876-E880 WeakPolarHBondContact O-CG 3.39Å; A876-E880 PolarHBondContact O-N 3.48Å
877	I	91.7	Very high	91.9	Very high	58 Å²	58	47.1 Å²	47.1	30%	0.297	22%	0.222	S	C	.	.	H	α-helix	trans	-65.3	-39.8	174.4	-63.9	166.6	0	0	0	111.3	I873 R874 L875 L879 E880 R881	I873-I877 HydrophobicContact CG2-CD1 4Å; I873-I877 WeakPolarHBondContact O-CG1 3.24Å; I873-I877 PolarHBondContact O-N 2.89Å; R874-I877 PolarHBondContact O-N 3.17Å; L875-I877 VanDerWaalsContact C-N 3.32Å; L875-I877 PolarHBondContact O-N 3.02Å; I877-L879 VanDerWaalsContact C-N 3.35Å; I877-E880 PolarHBondContact O-N 3.41Å; I877-R881 WeakPolarHBondContact O-CG 3.37Å; I877-R881 PolarHBondContact O-N 2.67Å
878	K	92	Very high	91.7	Very high	64 Å²	64	46.7 Å²	46.7	28%	0.278	21%	0.213	S	C	.	.	H	α-helix	trans	-59.1	-47	175.2	-168.2	-175.3	-178.7	-174.1	0	110.5	E427 R874 L875 E880 R881 E882	E427-K878 IonicContact OE1-NZ 2.8Å; R874-K878 PolarHBondContact O-N 2.93Å; L875-K878 WeakPolarHBondContact O-CA 3.3Å; L875-K878 WeakPolarHBondContact O-CB 3.47Å; L875-K878 PolarHBondContact O-N 3.43Å; L875-K878 VanDerWaalsContact O-N 3.07Å; K878-E880 PolarHBondContact O-N 3.29Å; K878-R881 PolarHBondContact O-N 3.32Å; K878-R881 VanDerWaalsContact O-N 3.13Å; K878-E882 WeakPolarHBondContact CE-OE2 3.38Å; K878-E882 HydrophobicContact CG-CB 4.37Å; K878-E882 HydrophobicContact CG-CG 4.38Å; K878-E882 VanDerWaalsContact CG-OE2 3.29Å; K878-E882 WeakPolarHBondContact CG-OE2 3.22Å; K878-E882 IonicContact NZ-OE2 3.98Å; K878-E882 PolarHBondContact O-N 3.09Å
879	L	91.5	Very high	91.3	Very high	19 Å²	19	47.2 Å²	47.2	10%	0.099	22%	0.215	C	C	.	.	H	α-helix	trans	-63.4	-23.1	179	-62.7	178.6	0	0	0	114.2	P689 L697 Y807 L875 A876 I877 T884	P689-L879 WeakPolarHBondContact CB-O 3.19Å; P689-L879 WeakPolarHBondContact CG-O 3.4Å; L697-L879 HydrophobicContact CD2-CD1 3.82Å; Y807-L879 HydrophobicContact CD1-CD1 3.73Å; Y807-L879 HydrophobicContact CD2-CD1 3.9Å; Y807-L879 HydrophobicContact CD2-CD2 3.64Å; Y807-L879 HydrophobicContact CD2-CG 4.44Å; Y807-L879 HydrophobicContact CE1-CD1 4.1Å; Y807-L879 HydrophobicContact CE1-CD2 4.47Å; Y807-L879 HydrophobicContact CE2-CD1 4.28Å; Y807-L879 HydrophobicContact CE2-CD2 3.47Å; Y807-L879 VanDerWaalsContact CE2-CD2 3.47Å; Y807-L879 HydrophobicContact CE2-CG 4.47Å; Y807-L879 HydrophobicContact CG-CD1 3.61Å; Y807-L879 HydrophobicContact CG-CD2 4.24Å; L875-L879 WeakPolarHBondContact O-CG 3.42Å; L875-L879 PolarHBondContact O-N 3.23Å; A876-L879 PolarHBondContact O-N 3.47Å; I877-L879 VanDerWaalsContact C-N 3.35Å; L879-T884 HydrophobicContact CD2-CG2 3.53Å
880	E	89	Confident	91	Very high	66 Å²	66	47.5 Å²	47.5	31%	0.308	22%	0.216	S	C	.	.	H	α-helix	trans	-86.1	-21	177.1	-74.1	172	-168.3	0	0	113.1	P689 R694 R721 I786 A876 I877 K878	P689-E880 VanDerWaalsContact CB-O 3.3Å; P689-E880 WeakPolarHBondContact CB-O 3.44Å; R694-E880 WeakPolarHBondContact CD-OE1 3.37Å; R694-E880 IonicContact CZ-OE1 3.32Å; R694-E880 VanDerWaalsContact CZ-OE1 3.3Å; R694-E880 IonicContact NE-OE1 2.75Å; R694-E880 PolarHBondContact NE-OE1 3.04Å; R694-E880 IonicContact NH1-OE1 3.62Å; R694-E880 PolarHBondContact NH1-OE1 3.22Å; R721-E880 IonicContact CZ-OE1 2.9Å; R721-E880 IonicContact CZ-OE2 2.72Å; R721-E880 IonicContact NE-OE1 3.71Å; R721-E880 PolarHBondContact NE-OE1 3.4Å; R721-E880 IonicContact NH2-OE1 3.11Å; R721-E880 PolarHBondContact NH2-OE1 2.84Å; R721-E880 IonicContact NH2-OE2 3.46Å; R721-E880 PolarHBondContact NH2-OE2 2.89Å; I786-E880 WeakPolarHBondContact CD1-OE1 3.41Å; A876-E880 WeakPolarHBondContact O-CG 3.39Å; A876-E880 PolarHBondContact O-N 3.48Å; I877-E880 PolarHBondContact O-N 3.41Å; K878-E880 PolarHBondContact O-N 3.29Å
881	R	89.5	Confident	90.5	Very high	205 Å²	205	47.4 Å²	47.4	77%	0.774	21%	0.213	S	C	*	.	H	α-helix	trans	-108.5	-37.6	-173.9	-67.2	-178.9	178.3	-176.4	-0.3	113.4	I877 K878	I877-R881 WeakPolarHBondContact O-CG 3.37Å; I877-R881 PolarHBondContact O-N 2.67Å; K878-R881 PolarHBondContact O-N 3.32Å; K878-R881 VanDerWaalsContact O-N 3.13Å
882	E	90.7	Very high	89.4	Confident	98 Å²	98	50.4 Å²	50.4	46%	0.458	23%	0.23	S	C	.	.	S	Bend	trans	-107.3	140.4	-171.5	-66.1	176.5	-165.6	0	0	111.1	P689 K878	P689-E882 VanDerWaalsContact CG-O 3.24Å; P689-E882 WeakPolarHBondContact CG-O 3.4Å; K878-E882 WeakPolarHBondContact CE-OE2 3.38Å; K878-E882 HydrophobicContact CG-CB 4.37Å; K878-E882 HydrophobicContact CG-CG 4.38Å; K878-E882 VanDerWaalsContact CG-OE2 3.29Å; K878-E882 WeakPolarHBondContact CG-OE2 3.22Å; K878-E882 IonicContact NZ-OE2 3.98Å; K878-E882 PolarHBondContact O-N 3.09Å
883	P	91.1	Very high	87.7	Confident	66 Å²	66	55.5 Å²	55.5	43%	0.429	26%	0.257	S	S	.	.			trans	-63.3	144	172.1	27.4	-33	0	0	0	111	Q686 Y687	Q686-P883 HydrophobicContact CB-CB 4.2Å; Y687-P883 VanDerWaalsContact O-CA 3.29Å; Y687-P883 WeakPolarHBondContact O-CA 3.27Å
884	T	91.2	Very high	85.3	Confident	21 Å²	21	62.5 Å²	62.5	13%	0.129	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	145.9	-176.5	51	0	0	0	0	110.7	Y687 R695 L879 V886	Y687-T884 PolarHBondContact N-O 2.78Å; Y687-T884 PolarHBondContact O-N 3.27Å; Y687-T884 VanDerWaalsContact O-N 3.08Å; R695-T884 PolarHBondContact NH1-OG1 3.05Å; L879-T884 HydrophobicContact CD2-CG2 3.53Å; T884-V886 PolarHBondContact O-N 2.9Å
885	W	90.8	Very high	84.9	Confident	55 Å²	55	59.4 Å²	59.4	21%	0.208	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	120.5	177.6	-65.2	103.4	0	0	0	110.5	H379 R381 I408 H410 V684 Q686	H379-W885 HydrophobicContact CB-CE3 4.43Å; H379-W885 HydrophobicContact CB-CH2 3.94Å; H379-W885 HydrophobicContact CB-CZ3 3.53Å; H379-W885 AromaticContact CD2-CZ3 3.94Å; H379-W885 AromaticContact CG-CH2 3.61Å; H379-W885 AromaticContact CG-CZ3 3.61Å; H379-W885 AromaticContact ND1-CH2 3.71Å; R381-W885 VanDerWaalsContact NH2-C 3.32Å; R381-W885 PolarHBondContact NH2-O 3.46Å; I408-W885 HydrophobicContact CD1-CB 4.01Å; I408-W885 HydrophobicContact CD1-CD2 4.38Å; I408-W885 HydrophobicContact CD1-CG 3.9Å; I408-W885 HydrophobicContact CG1-CD2 4.33Å; I408-W885 HydrophobicContact CG1-CG 3.97Å; I408-W885 HydrophobicContact CG2-CD2 4.05Å; I408-W885 HydrophobicContact CG2-CE3 4.38Å; I408-W885 HydrophobicContact CG2-CH2 4.29Å; I408-W885 HydrophobicContact CG2-CZ2 3.96Å; I408-W885 HydrophobicContact CG2-CZ3 4.49Å; H410-W885 AromaticContact CE1-CH2 3.84Å; H410-W885 AromaticContact CE1-CZ2 3.83Å; V684-W885 HydrophobicContact CB-CE3 4.1Å; V684-W885 HydrophobicContact CG2-CD2 4.47Å; V684-W885 HydrophobicContact CG2-CE3 3.72Å; V684-W885 HydrophobicContact CG2-CZ3 4.19Å; Q686-W885 HydrophobicContact CG-CD2 4.04Å; Q686-W885 HydrophobicContact CG-CE3 3.87Å; Q686-W885 HydrophobicContact CG-CH2 3.76Å; Q686-W885 HydrophobicContact CG-CZ2 3.92Å; Q686-W885 HydrophobicContact CG-CZ3 3.72Å; Q686-W885 VanDerWaalsContact NE2-CZ2 3.32Å
886	V	90.6	Very high	84.5	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.006	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	156.4	172.1	-62.2	0	0	0	0	109.5	V684 A685 Y687 T884 R888 W890 L891	V684-V886 CarbonylContact C-O 3.55Å; V684-V886 WeakPolarHBondContact CA-O 3.26Å; V684-V886 VanDerWaalsContact CB-O 3.29Å; V684-V886 WeakPolarHBondContact CB-O 3.41Å; A685-V886 PolarHBondContact N-O 3.33Å; A685-V886 PolarHBondContact O-N 3.48Å; Y687-V886 HydrophobicContact CG-CG1 4.31Å; T884-V886 PolarHBondContact O-N 2.9Å; V886-R888 PolarHBondContact O-N 3.38Å; V886-W890 HydrophobicContact CB-CD2 4.34Å; V886-W890 HydrophobicContact CB-CE3 3.64Å; V886-W890 HydrophobicContact CB-CZ3 4.12Å; V886-W890 HydrophobicContact CG1-CE3 3.8Å; V886-W890 HydrophobicContact CG1-CZ3 3.94Å; V886-L891 HydrophobicContact CG2-CD2 4.12Å; V886-L891 HydrophobicContact CG2-CG 4.29Å
887	P	89.5	Confident	84.1	Confident	1 Å²	1	65.4 Å²	65.4	1%	0.006	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	134.1	169	-23.5	34.1	0	0	0	110.8	E682 P683 Y889 W890	E682-P887 HydrophobicContact CG-CB 4.21Å; E682-P887 HydrophobicContact CG-CG 4.47Å; E682-P887 WeakPolarHBondContact OE1-CB 3.45Å; E682-P887 WeakPolarHBondContact OE1-CG 3.37Å; P683-P887 WeakPolarHBondContact O-CA 3.47Å; P887-Y889 VanDerWaalsContact C-N 3.26Å; P887-Y889 HydrophobicContact CB-CD1 3.4Å; P887-Y889 VanDerWaalsContact CB-CD1 3.4Å; P887-Y889 HydrophobicContact CB-CE1 3.2Å; P887-Y889 HydrophobicContact CG-CE1 3.95Å; P887-Y889 PolarHBondContact O-N 3.3Å; P887-W890 HydrophobicContact CB-CD2 4.4Å; P887-W890 HydrophobicContact CB-CG 4.24Å; P887-W890 HydrophobicContact CG-CD2 4.03Å; P887-W890 HydrophobicContact CG-CG 4.38Å; P887-W890 HydrophobicContact CG-CH2 4.39Å; P887-W890 HydrophobicContact CG-CZ2 3.8Å; P887-W890 WeakPolarHBondContact O-CB 3.41Å; P887-W890 PolarHBondContact O-N 3.08Å
888	R	87.3	Confident	83.6	Confident	56 Å²	56	65.9 Å²	65.9	21%	0.211	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-56.6	-42.2	-174.1	-179.7	169.9	65.6	164.6	3.8	111.7	D659 D665 P683 A685 V886 W890 L891	D659-R888 IonicContact OD1-NH1 3.95Å; D659-R888 IonicContact OD1-NH2 3.67Å; D659-R888 IonicContact OD2-CZ 2.85Å; D659-R888 IonicContact OD2-NH1 3.68Å; D659-R888 PolarHBondContact OD2-NH1 3.18Å; D659-R888 IonicContact OD2-NH2 2.76Å; D659-R888 PolarHBondContact OD2-NH2 3.15Å; D665-R888 IonicContact OD1-NE 3.3Å; D665-R888 IonicContact OD2-CZ 3.47Å; D665-R888 IonicContact OD2-NE 2.95Å; D665-R888 PolarHBondContact OD2-NE 2.96Å; D665-R888 IonicContact OD2-NH2 3.83Å; D665-R888 PolarHBondContact OD2-NH2 3.19Å; P683-R888 HydrophobicContact CB-CB 4.19Å; P683-R888 PolarHBondContact O-N 3.27Å; A685-R888 HydrophobicContact CB-CB 4.44Å; A685-R888 HydrophobicContact CB-CG 4.45Å; V886-R888 PolarHBondContact O-N 3.38Å; R888-W890 PolarHBondContact O-N 3.22Å; R888-L891 WeakPolarHBondContact O-CB 3.23Å; R888-L891 PolarHBondContact O-N 3.25Å
889	Y	83.9	Confident	83.1	Confident	15 Å²	15	66 Å²	66	6%	0.059	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-59.2	-16	177.5	84.2	-85.4	0	0	0	115.1	V668 A669 P887 L891 L893	V668-Y889 HydrophobicContact CB-CD1 4.25Å; V668-Y889 HydrophobicContact CB-CE1 4.19Å; V668-Y889 HydrophobicContact CG1-CD1 3.59Å; V668-Y889 HydrophobicContact CG1-CE1 3.12Å; A669-Y889 HydrophobicContact CB-CD2 3.81Å; A669-Y889 HydrophobicContact CB-CE2 4.15Å; A669-Y889 HydrophobicContact CB-CG 4.23Å; P887-Y889 VanDerWaalsContact C-N 3.26Å; P887-Y889 HydrophobicContact CB-CD1 3.4Å; P887-Y889 VanDerWaalsContact CB-CD1 3.4Å; P887-Y889 HydrophobicContact CB-CE1 3.2Å; P887-Y889 HydrophobicContact CG-CE1 3.95Å; P887-Y889 PolarHBondContact O-N 3.3Å; Y889-L891 VanDerWaalsContact C-N 3.29Å; Y889-L893 HydrophobicContact CD2-CD1 3.86Å; Y889-L893 HydrophobicContact CE2-CD1 4.03Å; Y889-L893 WeakPolarHBondContact O-CG 3.47Å
890	W	87	Confident	82.5	Confident	5 Å²	5	69.1 Å²	69.1	2%	0.019	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-69	-31.4	173.5	-70.1	7.5	0	0	0	111.8	R800 D805 P806 V886 P887 R888 D892	R800-W890 HydrophobicContact CB-CZ2 4.22Å; R800-W890 HydrophobicContact CG-CZ2 4.04Å; D805-W890 HydrophobicContact CB-CE3 3.76Å; D805-W890 HydrophobicContact CB-CZ3 4.08Å; P806-W890 HydrophobicContact CG-CH2 4.1Å; P806-W890 HydrophobicContact CG-CZ2 4.5Å; P806-W890 WeakPolarHBondContact O-CH2 3.3Å; V886-W890 HydrophobicContact CB-CD2 4.34Å; V886-W890 HydrophobicContact CB-CE3 3.64Å; V886-W890 HydrophobicContact CB-CZ3 4.12Å; V886-W890 HydrophobicContact CG1-CE3 3.8Å; V886-W890 HydrophobicContact CG1-CZ3 3.94Å; P887-W890 HydrophobicContact CB-CD2 4.4Å; P887-W890 HydrophobicContact CB-CG 4.24Å; P887-W890 HydrophobicContact CG-CD2 4.03Å; P887-W890 HydrophobicContact CG-CG 4.38Å; P887-W890 HydrophobicContact CG-CH2 4.39Å; P887-W890 HydrophobicContact CG-CZ2 3.8Å; P887-W890 WeakPolarHBondContact O-CB 3.41Å; P887-W890 PolarHBondContact O-N 3.08Å; R888-W890 PolarHBondContact O-N 3.22Å; W890-D892 VanDerWaalsContact C-N 3.34Å
891	L	83.3	Confident	82.1	Confident	63 Å²	63	69.4 Å²	69.4	33%	0.33	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-77.2	-23.8	179.4	-55.7	-178.3	0	0	0	112.3	A685 Y687 V886 R888 Y889 L893	A685-L891 HydrophobicContact CB-CD1 3.45Å; A685-L891 VanDerWaalsContact CB-CD1 3.45Å; Y687-L891 HydrophobicContact CD2-CD2 3.95Å; V886-L891 HydrophobicContact CG2-CD2 4.12Å; V886-L891 HydrophobicContact CG2-CG 4.29Å; R888-L891 WeakPolarHBondContact O-CB 3.23Å; R888-L891 PolarHBondContact O-N 3.25Å; Y889-L891 VanDerWaalsContact C-N 3.29Å; L891-L893 VanDerWaalsContact C-N 3.34Å
892	D	71.4	Confident	81.5	Confident	117 Å²	117	58.9 Å²	58.9	63%	0.626	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-83.4	-11.6	177.3	-58.1	-35.3	0	0	0	113	W890 E894	W890-D892 VanDerWaalsContact C-N 3.34Å; D892-E894 VanDerWaalsContact C-N 3.33Å
893	L	58.3	Low	80.7	Confident	107 Å²	107	55.7 Å²	55.7	56%	0.56	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-85.7	-4.2	-179.4	-76.8	169.5	0	0	0	113.4	Y889 L891	Y889-L893 HydrophobicContact CD2-CD1 3.86Å; Y889-L893 HydrophobicContact CE2-CD1 4.03Å; Y889-L893 WeakPolarHBondContact O-CG 3.47Å; L891-L893 VanDerWaalsContact C-N 3.34Å
894	E	44.1	Very low	79.8	Confident	161 Å²	161	54.7 Å²	54.7	75%	0.752	26%	0.264	S	S	*	.			trans	-93.3	0	170.6	-59.1	-162.1	140.7	0	0	111	R693 D892	R693-E894 IonicContact CZ-OE1 2.72Å; R693-E894 IonicContact NE-OE1 3.57Å; R693-E894 IonicContact NH1-OE1 3.11Å; R693-E894 PolarHBondContact NH1-OE1 3.34Å; R693-E894 IonicContact NH2-OE1 2.74Å; R693-E894 PolarHBondContact NH2-OE1 2.86Å; D892-E894 VanDerWaalsContact C-N 3.33Å

Retrieved 894 of 894 residues in 1701 ms (Link to these results)

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