A0A087XLB2_POEFO Loading...

Zinc finger and BTB domain-containing protein 41

AlphaFold DB , UniProt , Accession A0A087XLB2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 911 aa.

						>A0A087XLB2_POEFO|A0A087XLB2
MKKKPNSMVLPKRGRLVTNSSAAEECSVPLNSKTVQDSSLPLRRLTMSQHSDNLLAFLNEDRTRQRFCDVSVLVGGTVYRAHKAVLAHGSSYFHAELSKSSGTMTHVTLDHVEDSVFQHLLGLLYTSECVIAETDLPALAEAARFLDMMDILKLLCEDGKATSSQGEMRETEIEIPSCDAAGAGMEVQSTLNSKISLQHRVAESTNPASGREVKTCPKSGITRRSACTRKTPSKHKKDNGKYCISSPTEQQRAESPGRPDEQKVDGILEVNRVVKETPKASHGDDVMEEDTEDDEQDGSMGAVSQKNICEASGNDRAALEEGSHTDKMEAPSGQDREVHMPPIASTNQSPEYPEGLAPVIIQTSSKKTLKCPKCEKTFDRAGKYESHTRVHTGEKPFQCDICLQCYSTKSNLTVHKKKHAGDAPIPKKEHKCPFCNKLHASKKTLAKHVRRFHPDHTQEFFAARKKKSEGWKCAICSKTFSRRPHLQEHMILHTQDRPFKCSFCDEYFKSRFARLKHQEKYHLGPFPCEICGRQFNDTGNKKRHIECTHGGKRKWTCFVCGKSVRERTTLREHLRIHSGEKPHLCSICGQSFRHSSSYRLHLRVHHDDKRYECDQCGKTFIRHDHLTKHQKIHSGEKAHQCEECGKCFRRHDHLTVHYKSVHLGEKVWQKYKTAVHQCEVCKKEFKGKSSLEMHFRTHSGEKPHRCPECHQTFRIKKTLTKHMVIHSDARPFNCPHCSATFKRKDKLKYHVDHVHSARFTEPPPSQDKAAPTPFEETSKTYHSDPKLAPRSASNPATVCIPVTLVPVPMAAGGPGDLHPHRAASLSSQTHSVVNVQAQGQQQEQQNPGYQAATDLAFLEKYTLTPQPANIIHPVRPDQMLDPREQSYLGTLLGLDSASSVQTISNSDHTHR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28.1	Very low	34.4	Very low	230 Å²	230	157.1 Å²	157.1	100%	1.133	81%	0.813	S	S	*	*				0	178.5	0	-75.1	-168.1	175.2	0	0	109.5
2	K	32.5	Very low	33.9	Very low	185 Å²	185	160.1 Å²	160.1	80%	0.804	82%	0.815	S	S	*	*			trans	0.7	142.8	155.6	-56.3	168.3	-176.8	173.7	0	117.3
3	K	32.5	Very low	33.7	Very low	199 Å²	199	167.3 Å²	167.3	87%	0.865	83%	0.826	S	S	*	*			cis	-168.9	163.5	-1.3	-117.7	-175.8	177.6	-172.8	0	109
4	K	39.4	Very low	33.1	Very low	197 Å²	197	161.1 Å²	161.1	86%	0.857	83%	0.826	S	S	*	*			trans	-70.7	165.2	158.8	-97.7	-175.6	178.9	-175.3	0	110.2
5	P	55.2	Low	32.9	Very low	105 Å²	105	164.9 Å²	164.9	68%	0.682	83%	0.826	S	S	*	*				-161.1	-174	53	45.5	-22.8	0	0	0	120
6	N	28.1	Very low	32.7	Very low	156 Å²	156	163.2 Å²	163.2	83%	0.834	82%	0.819	S	S	*	*			trans	48.9	155.9	142.8	-68.2	10.8	0	0	0	123.5
7	S	29.4	Very low	32.5	Very low	88 Å²	88	160.2 Å²	160.2	62%	0.615	81%	0.811	S	S	*	*			cis	161.6	122.8	-15.5	178.1	0	0	0	0	109.2
8	M	30.2	Very low	32.1	Very low	178 Å²	178	158.1 Å²	158.1	88%	0.877	81%	0.808	S	S	*	*			trans	79.5	154.8	146.2	-75.6	-177.1	157.2	0	0	125.8
9	V	26.4	Very low	31.8	Very low	135 Å²	135	156.8 Å²	156.8	82%	0.818	80%	0.803	S	S	*	*			trans	103.5	104.7	155.9	-163.6	0	0	0	0	120.5
10	L	28.6	Very low	31.6	Very low	156 Å²	156	154.8 Å²	154.8	82%	0.817	80%	0.803	S	S	*	*			trans	0.4	174.5	136.9	-100.2	71	0	0	0	122.5
11	P	47.9	Very low	31.5	Very low	99 Å²	99	152.7 Å²	152.7	64%	0.643	80%	0.802	S	S	*	*			cis	-146.3	-166.5	2	36.9	-12.8	0	0	0	118.8
12	K	28.3	Very low	31.6	Very low	193 Å²	193	146.6 Å²	146.6	84%	0.839	79%	0.788	S	S	*	*			trans	101.6	108.3	141.6	-82.3	171.9	-176.4	176	0	124.7
13	R	31.7	Very low	31.2	Very low	254 Å²	254	141.8 Å²	141.8	96%	0.958	78%	0.783	S	S	*	*				45	132	125.1	-75.2	-173.9	172.3	-178.8	-1.5	125.6
14	G	25.7	Very low	31.1	Very low	80 Å²	80	140.9 Å²	140.9	83%	0.825	78%	0.782	S	S	*	*			trans	136.1	157.5	133.2	0	0	0	0	0	116.3
15	R	29.1	Very low	30.4	Very low	219 Å²	219	140.8 Å²	140.8	83%	0.826	79%	0.785	S	S	*	*			cis	180	131.2	-34.8	-156.4	-169.9	-157.7	-114.8	1.8	109.4
16	L	29.5	Very low	28.9	Very low	137 Å²	137	141.1 Å²	141.1	72%	0.717	79%	0.788	S	S	*	*			trans	52.4	171.7	158.6	-97.6	54.3	0	0	0	118.9
17	V	29.2	Very low	28.6	Very low	112 Å²	112	139.4 Å²	139.4	68%	0.679	79%	0.788	S	S	*	*			cis	-140	-179.1	-4.9	-117.2	0	0	0	0	107.6
18	T	25.3	Very low	28.6	Very low	122 Å²	122	141.8 Å²	141.8	75%	0.748	80%	0.799	S	S	*	*			cis	-127.1	-179.3	8.5	49.2	0	0	0	0	110.6
19	N	27.7	Very low	28.9	Very low	135 Å²	135	138.7 Å²	138.7	72%	0.722	79%	0.792	S	S	*	*			cis	94.3	80.5	5.4	-63.4	95.3	0	0	0	120.6
20	S	27.1	Very low	28.9	Very low	115 Å²	115	140 Å²	140	80%	0.804	79%	0.793	S	S	*	*			trans	-160.9	114.8	143.4	-89.8	0	0	0	0	109.2
21	S	29.4	Very low	28.8	Very low	112 Å²	112	139.5 Å²	139.5	78%	0.783	79%	0.792	S	S	*	*				83.3	132.5	53.8	69.9	0	0	0	0	113.3
22	A	29.8	Very low	27.7	Very low	101 Å²	101	139.8 Å²	139.8	84%	0.835	80%	0.796	S	S	*	*			cis	-150.6	-165.4	-6.4	0	0	0	0	0	107.5
23	A	25.4	Very low	27.7	Very low	84 Å²	84	139.4 Å²	139.4	69%	0.694	79%	0.794	S	S	*	*			cis	-152.3	150.1	5.6	0	0	0	0	0	108
24	E	30.2	Very low	27.8	Very low	181 Å²	181	133.8 Å²	133.8	85%	0.846	79%	0.788	S	S	*	*				68.7	138.1	89.8	-49.4	-136.5	119	0	0	115.2
25	E	23.8	Very low	28	Very low	195 Å²	195	137 Å²	137	91%	0.911	79%	0.792	S	S	*	*			cis	-131.8	-174.2	36.3	-63.4	-173.1	127	0	0	117.1
26	C	23.8	Very low	28.2	Very low	111 Å²	111	135.2 Å²	135.2	75%	0.75	79%	0.793	S	S	*	*			trans	-80.5	163.1	-172	-65	0	0	0	0	115.4
27	S	22.6	Very low	28.3	Very low	120 Å²	120	136.6 Å²	136.6	84%	0.839	80%	0.801	S	S	*	*				-177.3	165.5	84.2	-68	0	0	0	0	114.1
28	V	28.8	Very low	28.6	Very low	139 Å²	139	136.3 Å²	136.3	84%	0.842	80%	0.803	S	S	*	*			trans	-144.4	131.3	-176.7	169.4	0	0	0	0	107.8
29	P	36.6	Very low	29.6	Very low	113 Å²	113	135.8 Å²	135.8	73%	0.734	81%	0.805	S	S	*	*				-159	167.5	91.2	42.7	-22.2	0	0	0	120.1
30	L	26.3	Very low	30.4	Very low	161 Å²	161	135 Å²	135	84%	0.843	80%	0.8	S	S	*	*			trans	63.9	105	149.1	-112.1	68.9	0	0	0	123.1
31	N	27.7	Very low	31.7	Very low	147 Å²	147	132.7 Å²	132.7	79%	0.786	78%	0.782	S	S	*	*				54	108.6	124.8	-165.3	20.3	0	0	0	121.2
32	S	24.9	Very low	33.4	Very low	104 Å²	104	133.1 Å²	133.1	73%	0.727	78%	0.775	S	S	*	*				-168.2	148	125.9	50.3	0	0	0	0	115.2
33	K	27.5	Very low	35.2	Very low	186 Å²	186	131 Å²	131	81%	0.809	75%	0.746	S	S	*	*			trans	52.5	99	150.7	-66.6	173.3	-178.9	176.6	0	120.5
34	T	33.7	Very low	37.3	Very low	135 Å²	135	134.5 Å²	134.5	83%	0.828	74%	0.741	S	S	*	*			trans	8.4	122.7	132.5	51.3	0	0	0	0	119.9
35	V	29.8	Very low	38.9	Very low	148 Å²	148	126.2 Å²	126.2	90%	0.897	70%	0.702	S	S	*	*			trans	-128.5	151	138.6	179.1	0	0	0	0	107.2
36	Q	32.2	Very low	40.6	Very low	182 Å²	182	120.3 Å²	120.3	85%	0.85	68%	0.68	S	S	*	*			trans	-85.3	146.1	-168.9	-66.7	167.1	-51	0	0	113.2
37	D	32.3	Very low	42.4	Very low	165 Å²	165	116.7 Å²	116.7	88%	0.882	65%	0.652	S	S	*	*			trans	-83.5	123.2	168.2	-172.9	11.1	0	0	0	109.6
38	S	36.2	Very low	43.9	Very low	106 Å²	106	117 Å²	117	74%	0.741	65%	0.654	S	S	*	*			trans	-104.1	78.3	-168.3	46.3	0	0	0	0	112.8	L40	S38-L40 PolarHBondContact O-N 3.19Å; S38-L40 VanDerWaalsContact O-N 3.13Å
39	S	44.8	Very low	45.1	Very low	111 Å²	111	113.1 Å²	113.1	78%	0.776	63%	0.627	S	S	*	*			trans	-59.6	112.7	175.8	61.8	0	0	0	0	112.2
40	L	45.7	Very low	45.7	Very low	119 Å²	119	116.6 Å²	116.6	62%	0.623	63%	0.633	S	S	*	*			trans	-64.4	136	177.4	-69	170.8	0	0	0	111.2	S38	S38-L40 PolarHBondContact O-N 3.19Å; S38-L40 VanDerWaalsContact O-N 3.13Å
41	P	53.4	Low	46.9	Very low	66 Å²	66	112.2 Å²	112.2	43%	0.429	62%	0.616	S	S	.	*			trans	-70.7	139.6	177.8	28.5	-33.9	0	0	0	112	E133	P41-E133 HydrophobicContact CB-CG 4.03Å; P41-E133 HydrophobicContact CG-CB 4.07Å; P41-E133 HydrophobicContact CG-CG 3.96Å; P41-E133 WeakPolarHBondContact CG-OE2 3.27Å; P41-E133 PolarHBondContact O-N 3.06Å; P41-E133 VanDerWaalsContact O-N 3.08Å
42	L	64.9	Low	48.3	Very low	122 Å²	122	109.6 Å²	109.6	64%	0.639	60%	0.602	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-119.6	114.2	-177.7	-72.1	166.9	0	0	0	109.8	V130 A132	L42-V130 HydrophobicContact CB-CG1 3.96Å; L42-V130 HydrophobicContact CD2-CG1 4.39Å; L42-A132 HydrophobicContact CD2-CB 4.21Å
43	R	68.9	Low	50	Low	56 Å²	56	109.4 Å²	109.4	21%	0.211	59%	0.593	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.4	132.8	178.7	-171	173.1	173.9	-163.1	-8.6	110.5	L45 V130 I131 E133 L136 D158	R43-L45 HydrophobicContact CG-CD2 4.29Å; R43-V130 WeakPolarHBondContact O-CA 3.17Å; R43-I131 PolarHBondContact N-O 3.11Å; R43-I131 PolarHBondContact O-N 3.24Å; R43-E133 HydrophobicContact CB-CG 4.24Å; R43-L136 HydrophobicContact CB-CD1 4.13Å; R43-L136 HydrophobicContact CG-CD1 4.48Å; R43-D158 IonicContact CZ-OD2 3.16Å; R43-D158 IonicContact NE-OD2 3.75Å; R43-D158 IonicContact NH2-OD2 2.74Å; R43-D158 PolarHBondContact NH2-OD2 3.04Å
44	R	68.2	Low	51.5	Low	157 Å²	157	105 Å²	105	59%	0.592	58%	0.578	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-91.5	129.6	169.6	-175.7	-179.8	-64	-121.8	-1	109.7	E128 C129 V130	R44-E128 IonicContact CZ-OE2 2.68Å; R44-E128 IonicContact NH1-OE2 2.67Å; R44-E128 PolarHBondContact NH1-OE2 3.37Å; R44-C129 CarbonylContact C-O 3.49Å; R44-C129 WeakPolarHBondContact CA-O 3.44Å; R44-V130 HydrophobicContact CB-CG2 4.24Å; R44-V130 HydrophobicContact CG-CG2 4.18Å
45	L	64.9	Low	52.9	Low	7 Å²	7	99.8 Å²	99.8	4%	0.037	54%	0.544	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	135.8	171.7	-57.1	177.1	0	0	0	109.2	R43 L123 E128 C129 I131 L136 L139 L155	R43-L45 HydrophobicContact CG-CD2 4.29Å; L45-L123 HydrophobicContact CB-CD1 4.34Å; L45-E128 CarbonylContact O-C 3.58Å; L45-E128 VanDerWaalsContact O-CA 3.3Å; L45-E128 WeakPolarHBondContact O-CA 3.26Å; L45-C129 PolarHBondContact N-O 3.38Å; L45-C129 PolarHBondContact O-N 3.4Å; L45-I131 HydrophobicContact CD1-CD1 3.93Å; L45-L136 HydrophobicContact CD1-CD2 4.27Å; L45-L139 HydrophobicContact CD1-CD2 4Å; L45-L155 HydrophobicContact CD1-CD2 3.64Å; L45-L155 HydrophobicContact CD1-CG 4.45Å; L45-L155 HydrophobicContact CD2-CD2 4.2Å
46	T	59.2	Low	54.5	Low	71 Å²	71	95.8 Å²	95.8	44%	0.436	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	122.8	-179.1	-58.8	0	0	0	0	110.5	S127 E128	T46-S127 CarbonylContact C-O 3.28Å; T46-S127 WeakPolarHBondContact CA-O 3.47Å; T46-E128 HydrophobicContact CG2-CG 3.9Å
47	M	61.8	Low	56.1	Low	35 Å²	35	92.9 Å²	92.9	17%	0.172	51%	0.512	C	S	.	.			trans	-86	129.6	174.4	-56.6	-149.6	75.1	0	0	111.3	Q49 L123 S127 D150 I151 L154	M47-Q49 HydrophobicContact CB-CG 4.43Å; M47-Q49 PolarHBondContact O-N 3.36Å; M47-L123 HydrophobicContact CG-CD1 3.97Å; M47-L123 HydrophobicContact CG-CG 4.15Å; M47-L123 HydrophobicContact SD-CG 4.29Å; M47-S127 PolarHBondContact N-O 3.31Å; M47-D150 HydrophobicContact CE-CB 3.87Å; M47-I151 HydrophobicContact CE-CG1 4.31Å; M47-I151 HydrophobicContact SD-CG1 4.3Å; M47-L154 HydrophobicContact CB-CD1 4.14Å; M47-L154 HydrophobicContact CE-CD1 3.72Å; M47-L154 HydrophobicContact CG-CD1 3.6Å; M47-L154 HydrophobicContact SD-CD1 4.38Å
48	S	54.4	Low	57.6	Low	126 Å²	126	86.2 Å²	86.2	88%	0.881	48%	0.476	S	S	*	.			trans	-71.9	117.3	171.8	63.6	0	0	0	0	110.3
49	Q	53.8	Low	59	Low	59 Å²	59	82.9 Å²	82.9	28%	0.276	45%	0.45	S	S	.	.			trans	-116.5	149.6	-172.9	-72	-156.4	-2.3	0	0	114.9	M47 L55 S127	M47-Q49 HydrophobicContact CB-CG 4.43Å; M47-Q49 PolarHBondContact O-N 3.36Å; Q49-L55 VanDerWaalsContact NE2-CD2 3.26Å; Q49-S127 PolarHBondContact NE2-OG 3.18Å; Q49-S127 VanDerWaalsContact NE2-OG 3.13Å; Q49-S127 PolarHBondContact OE1-OG 2.6Å
50	H	48.1	Very low	60.1	Low	186 Å²	186	82.2 Å²	82.2	86%	0.861	43%	0.434	S	S	*	.	S	Bend	trans	-97.1	115.3	152.2	-98	27.8	0	0	0	108.9
51	S	51.7	Low	61	Low	69 Å²	69	77.4 Å²	77.4	48%	0.483	41%	0.409	S	S	.	.			trans	81	55.1	167.4	74.1	0	0	0	0	118.9	N53 L54	S51-N53 PolarHBondContact O-N 2.66Å; S51-L54 WeakPolarHBondContact O-CB 3.48Å; S51-L54 PolarHBondContact O-N 2.73Å
52	D	57.9	Low	61.6	Low	92 Å²	92	78.5 Å²	78.5	49%	0.492	41%	0.405	S	S	.	.	H	α-helix	trans	-32.2	-30.5	152.4	29	-82.6	0	0	0	115.6	L54 L55 A56	D52-L54 PolarHBondContact O-N 3.49Å; D52-L55 PolarHBondContact O-N 3.41Å; D52-A56 WeakPolarHBondContact O-CB 3.24Å; D52-A56 PolarHBondContact O-N 3.35Å
53	N	59.7	Low	61.4	Low	99 Å²	99	77.6 Å²	77.6	53%	0.529	41%	0.405	S	S	.	.	H	α-helix	trans	-59.9	-24.3	174.1	-69.8	-139	0	0	0	113.5	S51 K437	S51-N53 PolarHBondContact O-N 2.66Å; N53-K437 PolarHBondContact OD1-NZ 3.21Å
54	L	60.2	Low	61.2	Low	94 Å²	94	82.4 Å²	82.4	49%	0.492	42%	0.423	S	S	.	.	H	α-helix	trans	-86.9	-43	177.2	179.1	60.4	0	0	0	111.8	S51 D52 F57 L58	S51-L54 WeakPolarHBondContact O-CB 3.48Å; S51-L54 PolarHBondContact O-N 2.73Å; D52-L54 PolarHBondContact O-N 3.49Å; L54-F57 PolarHBondContact O-N 3.06Å; L54-L58 HydrophobicContact CD1-CD1 4.08Å; L54-L58 HydrophobicContact CD1-CG 4.37Å; L54-L58 HydrophobicContact CG-CD1 3.99Å; L54-L58 WeakPolarHBondContact O-CG 3.05Å; L54-L58 PolarHBondContact O-N 3.45Å
55	L	63.2	Low	60.9	Low	25 Å²	25	80.6 Å²	80.6	13%	0.131	42%	0.421	C	S	.	.	H	α-helix	trans	-67.8	-38.5	177.9	-86.5	75.1	0	0	0	111.7	Q49 D52 F57 L58 N59 L124	Q49-L55 VanDerWaalsContact NE2-CD2 3.26Å; D52-L55 PolarHBondContact O-N 3.41Å; L55-F57 VanDerWaalsContact C-N 3.3Å; L55-F57 PolarHBondContact O-N 2.89Å; L55-L58 PolarHBondContact O-N 3.28Å; L55-N59 VanDerWaalsContact O-CB 3.31Å; L55-N59 WeakPolarHBondContact O-CB 3.34Å; L55-N59 PolarHBondContact O-N 3.26Å; L55-L124 VanDerWaalsContact CD2-O 3.31Å; L55-L124 WeakPolarHBondContact CD2-O 3.13Å
56	A	63.3	Low	60.4	Low	64 Å²	64	90 Å²	90	53%	0.529	46%	0.456	S	S	.	.	H	α-helix	trans	-56	-44.7	173.3	0	0	0	0	0	112	D52 E60	D52-A56 WeakPolarHBondContact O-CB 3.24Å; D52-A56 PolarHBondContact O-N 3.35Å; A56-E60 WeakPolarHBondContact O-CB 3.46Å; A56-E60 PolarHBondContact O-N 3.45Å
57	F	65.1	Low	60.4	Low	121 Å²	121	92.8 Å²	92.8	53%	0.531	46%	0.463	S	S	.	.	H	α-helix	trans	-63.4	-48.5	175.6	175.9	-95.4	0	0	0	112	L54 L55 N59 E60 D61	L54-F57 PolarHBondContact O-N 3.06Å; L55-F57 VanDerWaalsContact C-N 3.3Å; L55-F57 PolarHBondContact O-N 2.89Å; F57-N59 VanDerWaalsContact C-N 3.33Å; F57-N59 PolarHBondContact O-N 3.32Å; F57-E60 PolarHBondContact O-N 3.2Å; F57-D61 WeakPolarHBondContact O-CB 3.4Å; F57-D61 PolarHBondContact O-N 3.37Å
58	L	63.7	Low	60.6	Low	25 Å²	25	92.3 Å²	92.3	13%	0.131	46%	0.462	C	S	.	.	H	α-helix	trans	-68.2	-28.9	-178.8	-67.9	169.2	0	0	0	113.3	L54 L55 R62 H82 V85 Y125	L54-L58 HydrophobicContact CD1-CD1 4.08Å; L54-L58 HydrophobicContact CD1-CG 4.37Å; L54-L58 HydrophobicContact CG-CD1 3.99Å; L54-L58 WeakPolarHBondContact O-CG 3.05Å; L54-L58 PolarHBondContact O-N 3.45Å; L55-L58 PolarHBondContact O-N 3.28Å; L58-R62 WeakPolarHBondContact O-CB 3.45Å; L58-R62 PolarHBondContact O-N 3.33Å; L58-R62 VanDerWaalsContact O-N 3.08Å; L58-H82 HydrophobicContact CD2-CB 4.48Å; L58-H82 PolarHBondContact O-CE1 2.79Å; L58-V85 HydrophobicContact CB-CG2 4.47Å; L58-V85 HydrophobicContact CD1-CG2 3.88Å; L58-Y125 HydrophobicContact CB-CE1 4.19Å
59	N	66.8	Low	61.2	Low	37 Å²	37	90.6 Å²	90.6	20%	0.198	44%	0.443	C	S	.	.	H	α-helix	trans	-78.1	-37.2	174.7	-165.2	23.9	0	0	0	111.5	L55 F57 D61 R62 T63 Y125	L55-N59 VanDerWaalsContact O-CB 3.31Å; L55-N59 WeakPolarHBondContact O-CB 3.34Å; L55-N59 PolarHBondContact O-N 3.26Å; F57-N59 VanDerWaalsContact C-N 3.33Å; F57-N59 PolarHBondContact O-N 3.32Å; N59-D61 VanDerWaalsContact C-N 3.35Å; N59-R62 WeakPolarHBondContact O-CB 3.47Å; N59-R62 PolarHBondContact O-N 3.37Å; N59-R62 PolarHBondContact OD1-NE 3.16Å; N59-R62 VanDerWaalsContact OD1-NE 3.17Å; N59-R62 PolarHBondContact OD1-NH2 2.86Å; N59-T63 PolarHBondContact O-N 3.11Å; N59-T63 VanDerWaalsContact O-N 3.17Å; N59-Y125 HydrophobicContact CB-CD1 4.09Å
60	E	66.8	Low	62	Low	96 Å²	96	87.8 Å²	87.8	45%	0.449	43%	0.43	S	S	.	.	H	α-helix	trans	-63.2	-41.2	170.8	-166.2	-170.9	158	0	0	111.5	A56 F57 R62 T63 R64	A56-E60 WeakPolarHBondContact O-CB 3.46Å; A56-E60 PolarHBondContact O-N 3.45Å; F57-E60 PolarHBondContact O-N 3.2Å; E60-R62 VanDerWaalsContact C-N 3.32Å; E60-R62 PolarHBondContact O-N 3.15Å; E60-T63 PolarHBondContact O-N 2.86Å; E60-T63 PolarHBondContact O-OG1 3.04Å; E60-R64 VanDerWaalsContact O-CG 3.29Å; E60-R64 WeakPolarHBondContact O-CG 3.22Å; E60-R64 PolarHBondContact O-N 3.37Å; E60-R64 VanDerWaalsContact O-N 3.11Å; E60-R64 IonicContact OE1-CZ 2.66Å; E60-R64 IonicContact OE1-NE 3.78Å; E60-R64 PolarHBondContact OE1-NE 3.23Å; E60-R64 IonicContact OE1-NH2 2.66Å; E60-R64 PolarHBondContact OE1-NH2 3.24Å
61	D	64.2	Low	63.2	Low	19 Å²	19	79 Å²	79	10%	0.102	39%	0.389	C	S	.	.	H	α-helix	trans	-70.4	-30.7	178.5	-148.3	1.3	0	0	0	112.2	F57 N59 R64 Q65 F67	F57-D61 WeakPolarHBondContact O-CB 3.4Å; F57-D61 PolarHBondContact O-N 3.37Å; N59-D61 VanDerWaalsContact C-N 3.35Å; D61-R64 CarbonylContact O-C 3.58Å; D61-R64 PolarHBondContact O-N 3.27Å; D61-Q65 PolarHBondContact O-N 3.38Å; D61-F67 WeakPolarHBondContact OD1-CD2 3.44Å; D61-F67 WeakPolarHBondContact OD2-CD2 3.43Å
62	R	66.1	Low	64.2	Low	88 Å²	88	75.8 Å²	75.8	33%	0.332	37%	0.367	S	S	.	.	H	α-helix	trans	-62.9	-43.4	172.6	-174.1	-176.8	67	105.8	-0.7	111.8	L58 N59 E60 R64 Q65 Y125	L58-R62 WeakPolarHBondContact O-CB 3.45Å; L58-R62 PolarHBondContact O-N 3.33Å; L58-R62 VanDerWaalsContact O-N 3.08Å; N59-R62 WeakPolarHBondContact O-CB 3.47Å; N59-R62 PolarHBondContact O-N 3.37Å; N59-R62 PolarHBondContact OD1-NE 3.16Å; N59-R62 VanDerWaalsContact OD1-NE 3.17Å; N59-R62 PolarHBondContact OD1-NH2 2.86Å; E60-R62 VanDerWaalsContact C-N 3.32Å; E60-R62 PolarHBondContact O-N 3.15Å; R62-R64 VanDerWaalsContact C-N 3.3Å; R62-Q65 PolarHBondContact O-N 3.29Å; R62-Y125 HydrophobicContact CB-CE1 4.32Å
63	T	62.2	Low	64.8	Low	103 Å²	103	74.3 Å²	74.3	63%	0.632	36%	0.359	S	S	*	.	H	α-helix	trans	-71.1	-27.7	176.5	62.5	0	0	0	0	112.3	N59 E60 Q65	N59-T63 PolarHBondContact O-N 3.11Å; N59-T63 VanDerWaalsContact O-N 3.17Å; E60-T63 PolarHBondContact O-N 2.86Å; E60-T63 PolarHBondContact O-OG1 3.04Å; T63-Q65 VanDerWaalsContact C-N 3.32Å
64	R	64.8	Low	65.5	Low	157 Å²	157	69.6 Å²	69.6	59%	0.592	33%	0.334	S	S	*	.	H	α-helix	trans	-79.2	-10.6	172	-65.4	173.3	-178.7	-72.8	4.5	113.8	E60 D61 R62 R66	E60-R64 VanDerWaalsContact O-CG 3.29Å; E60-R64 WeakPolarHBondContact O-CG 3.22Å; E60-R64 PolarHBondContact O-N 3.37Å; E60-R64 VanDerWaalsContact O-N 3.11Å; E60-R64 IonicContact OE1-CZ 2.66Å; E60-R64 IonicContact OE1-NE 3.78Å; E60-R64 PolarHBondContact OE1-NE 3.23Å; E60-R64 IonicContact OE1-NH2 2.66Å; E60-R64 PolarHBondContact OE1-NH2 3.24Å; D61-R64 CarbonylContact O-C 3.58Å; D61-R64 PolarHBondContact O-N 3.27Å; R62-R64 VanDerWaalsContact C-N 3.3Å; R64-R66 WeakPolarHBondContact O-CG 3.48Å; R64-R66 PolarHBondContact O-N 3.5Å; R64-R66 VanDerWaalsContact O-N 3.11Å
65	Q	60.8	Low	65.4	Low	120 Å²	120	68.4 Å²	68.4	56%	0.561	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	15	-178.3	-58.7	-163.4	18.1	0	0	116.9	D61 R62 T63	D61-Q65 PolarHBondContact O-N 3.38Å; R62-Q65 PolarHBondContact O-N 3.29Å; T63-Q65 VanDerWaalsContact C-N 3.32Å
66	R	55.6	Low	65.2	Low	204 Å²	204	70 Å²	70	77%	0.77	37%	0.366	S	S	*	.	S	Bend	trans	-82	-23.3	-167.5	-70.8	-160.6	173.8	-163.3	-2.8	115.6	R64	R64-R66 WeakPolarHBondContact O-CG 3.48Å; R64-R66 PolarHBondContact O-N 3.5Å; R64-R66 VanDerWaalsContact O-N 3.11Å
67	F	58.3	Low	65.4	Low	130 Å²	130	69.8 Å²	69.8	57%	0.57	36%	0.358	S	S	*	.			trans	-135.6	28.2	-173.1	-64.4	-86.2	0	0	0	114.3	D61 D69 H82	D61-F67 WeakPolarHBondContact OD1-CD2 3.44Å; D61-F67 WeakPolarHBondContact OD2-CD2 3.43Å; F67-D69 PolarHBondContact O-N 2.98Å; F67-H82 PolarHBondContact O-CD2 3.46Å
68	C	65.3	Low	65.8	Low	24 Å²	24	68.4 Å²	68.4	16%	0.162	36%	0.36	C	S	.	.			trans	-73.7	89.4	173.7	-66.4	0	0	0	0	111.9	V70 R80	C68-V70 PolarHBondContact O-N 3.1Å; C68-R80 HydrophobicContact CB-CB 3.85Å
69	D	66.9	Low	66.2	Low	91 Å²	91	69 Å²	69	49%	0.487	36%	0.36	S	S	.	.			trans	-60.9	-22.8	-178.6	-59.3	-49.5	0	0	0	115.4	F67 K83	F67-D69 PolarHBondContact O-N 2.98Å; D69-K83 HydrophobicContact CB-CB 4.15Å
70	V	72.2	Confident	66.4	Low	0 Å²	0	73.1 Å²	73.1	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	139.9	-168.8	-172.3	0	0	0	0	110.3	C68 V72 A81 K83 L86 L97 T105	C68-V70 PolarHBondContact O-N 3.1Å; V70-V72 HydrophobicContact CG1-CG2 4.15Å; V70-A81 WeakPolarHBondContact CB-O 3.36Å; V70-A81 PolarHBondContact N-O 3.2Å; V70-A81 VanDerWaalsContact N-O 3.08Å; V70-A81 PolarHBondContact O-N 3.35Å; V70-K83 HydrophobicContact CG2-CB 3.83Å; V70-K83 HydrophobicContact CG2-CG 4.17Å; V70-L86 HydrophobicContact CB-CD1 4.36Å; V70-L86 HydrophobicContact CG1-CD1 3.97Å; V70-L97 HydrophobicContact CG1-CD2 4.12Å; V70-L97 HydrophobicContact CG2-CD2 3.77Å; V70-T105 WeakPolarHBondContact CG1-O 3.14Å
71	S	72.9	Confident	66.6	Low	1 Å²	1	68.6 Å²	68.6	1%	0.007	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	124.6	165.7	-64	0	0	0	0	109.7	Y79 M104 T105 H106 V107	S71-Y79 CarbonylContact C-O 3.54Å; S71-Y79 WeakPolarHBondContact CA-O 2.95Å; S71-M104 VanDerWaalsContact OG-CE 3.28Å; S71-M104 WeakPolarHBondContact OG-CE 3.32Å; S71-T105 PolarHBondContact N-O 2.75Å; S71-T105 VanDerWaalsContact N-O 3.1Å; S71-H106 VanDerWaalsContact O-CA 3.29Å; S71-H106 WeakPolarHBondContact O-CA 3.33Å; S71-V107 PolarHBondContact O-N 2.69Å
72	V	72.3	Confident	66.9	Low	1 Å²	1	68.1 Å²	68.1	1%	0.006	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	126.7	176.2	-171.2	0	0	0	0	108	V70 V74 Y79 L86 V107 L109 F117	V70-V72 HydrophobicContact CG1-CG2 4.15Å; V72-V74 HydrophobicContact CG1-CG2 3.82Å; V72-Y79 PolarHBondContact N-O 2.89Å; V72-Y79 PolarHBondContact O-N 3.43Å; V72-L86 HydrophobicContact CG2-CD1 3.68Å; V72-V107 CarbonylContact C-O 3.6Å; V72-V107 WeakPolarHBondContact CA-O 3.3Å; V72-V107 HydrophobicContact CG1-CG1 4.46Å; V72-L109 HydrophobicContact CG1-CD1 3.66Å; V72-L109 HydrophobicContact CG1-CG 4.02Å; V72-F117 HydrophobicContact CB-CE1 4.36Å; V72-F117 HydrophobicContact CB-CZ 4.17Å; V72-F117 HydrophobicContact CG1-CE1 4.32Å; V72-F117 HydrophobicContact CG1-CE2 4.49Å; V72-F117 HydrophobicContact CG1-CZ 3.92Å; V72-F117 HydrophobicContact CG2-CZ 4.31Å
73	L	71.2	Confident	67	Low	62 Å²	62	67 Å²	67	33%	0.325	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	125.8	170.7	-160.1	78.4	0	0	0	108.2	T77 V78 V107 T108 L109	L73-T77 WeakPolarHBondContact CA-O 3.41Å; L73-T77 WeakPolarHBondContact CD1-O 3.34Å; L73-V78 HydrophobicContact CD1-CB 4.48Å; L73-V78 HydrophobicContact CD1-CG2 3.55Å; L73-V107 PolarHBondContact N-O 2.98Å; L73-T108 HydrophobicContact CB-CG2 4.13Å; L73-T108 HydrophobicContact CD2-CG2 4.21Å; L73-T108 CarbonylContact O-C 3.42Å; L73-T108 WeakPolarHBondContact O-CA 3.48Å; L73-L109 PolarHBondContact O-N 3.05Å
74	V	73.3	Confident	67.2	Low	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	131.7	175.9	-166.9	0	0	0	0	106.1	V72 G76 T77 Y79 L109 V112 D114 F117	V72-V74 HydrophobicContact CG1-CG2 3.82Å; V74-G76 PolarHBondContact O-N 3.48Å; V74-T77 PolarHBondContact N-O 2.82Å; V74-T77 PolarHBondContact O-N 3.11Å; V74-T77 PolarHBondContact O-OG1 3.25Å; V74-Y79 HydrophobicContact CB-CD2 4.21Å; V74-Y79 HydrophobicContact CB-CE2 3.98Å; V74-Y79 HydrophobicContact CG2-CD2 3.9Å; V74-Y79 HydrophobicContact CG2-CE2 4.13Å; V74-L109 HydrophobicContact CG1-CB 4.48Å; V74-L109 HydrophobicContact CG2-CB 4.2Å; V74-L109 HydrophobicContact CG2-CD1 4.17Å; V74-V112 HydrophobicContact CG1-CB 4.35Å; V74-V112 WeakPolarHBondContact CG1-O 3.42Å; V74-D114 VanDerWaalsContact O-OD1 3.05Å; V74-F117 HydrophobicContact CG1-CB 4.18Å; V74-F117 HydrophobicContact CG2-CB 4.35Å; V74-F117 HydrophobicContact CG2-CD1 3.67Å; V74-F117 HydrophobicContact CG2-CD2 4.3Å; V74-F117 HydrophobicContact CG2-CE1 3.98Å; V74-F117 HydrophobicContact CG2-CG 3.85Å; V74-F117 HydrophobicContact CG2-CZ 4.43Å
75	G	58.5	Low	67.3	Low	68 Å²	68	58.3 Å²	58.3	70%	0.701	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	4	179.7	0	0	0	0	0	117.4	D114	G75-D114 VanDerWaalsContact CA-OD1 3.28Å; G75-D114 WeakPolarHBondContact CA-OD1 3.47Å; G75-D114 PolarHBondContact N-OD1 3.41Å
76	G	59.5	Low	67.6	Low	58 Å²	58	52.7 Å²	52.7	60%	0.598	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.8	-8.6	-169.4	0	0	0	0	0	115.1	V74	V74-G76 PolarHBondContact O-N 3.48Å
77	T	67.5	Low	68	Low	61 Å²	61	44.7 Å²	44.7	37%	0.374	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	149.4	174.8	70.4	0	0	0	0	112.5	L73 V74 Y79 D114	L73-T77 WeakPolarHBondContact CA-O 3.41Å; L73-T77 WeakPolarHBondContact CD1-O 3.34Å; V74-T77 PolarHBondContact N-O 2.82Å; V74-T77 PolarHBondContact O-N 3.11Å; V74-T77 PolarHBondContact O-OG1 3.25Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3Å; T77-D114 WeakPolarHBondContact CB-OD2 3.41Å; T77-D114 WeakPolarHBondContact CG2-OD2 3.45Å; T77-D114 PolarHBondContact OG1-OD2 3.03Å
78	V	72.6	Confident	68.3	Low	92 Å²	92	45.6 Å²	45.6	56%	0.558	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	106.5	-172.9	-175.2	0	0	0	0	111.4	L73	L73-V78 HydrophobicContact CD1-CB 4.48Å; L73-V78 HydrophobicContact CD1-CG2 3.55Å
79	Y	71.4	Confident	67.9	Low	36 Å²	36	45.2 Å²	45.2	14%	0.141	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	130.3	172.6	-64.3	-88.2	0	0	0	111.2	S71 V72 V74 T77 D114 F117 Q118 L121	S71-Y79 CarbonylContact C-O 3.54Å; S71-Y79 WeakPolarHBondContact CA-O 2.95Å; V72-Y79 PolarHBondContact N-O 2.89Å; V72-Y79 PolarHBondContact O-N 3.43Å; V74-Y79 HydrophobicContact CB-CD2 4.21Å; V74-Y79 HydrophobicContact CB-CE2 3.98Å; V74-Y79 HydrophobicContact CG2-CD2 3.9Å; V74-Y79 HydrophobicContact CG2-CE2 4.13Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3Å; Y79-D114 WeakPolarHBondContact OH-CB 3.46Å; Y79-D114 PolarHBondContact OH-O 3.48Å; Y79-F117 HydrophobicContact CD1-CD1 4.3Å; Y79-F117 HydrophobicContact CD1-CE1 4.42Å; Y79-F117 AromaticContact CD2-CD1 3.83Å; Y79-F117 HydrophobicContact CD2-CD1 3.83Å; Y79-F117 HydrophobicContact CD2-CE1 4.01Å; Y79-F117 HydrophobicContact CE2-CD1 4.06Å; Y79-F117 AromaticContact CG-CD1 3.95Å; Y79-F117 HydrophobicContact CG-CD1 3.95Å; Y79-F117 AromaticContact CG-CE1 3.86Å; Y79-F117 HydrophobicContact CG-CE1 3.86Å; Y79-Q118 HydrophobicContact CE1-CB 4.42Å; Y79-L121 HydrophobicContact CD1-CD2 4.26Å
80	R	71.9	Confident	67.8	Low	125 Å²	125	41.1 Å²	41.1	47%	0.472	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	128.5	173.5	-73.6	-177.8	177	167.4	-1.7	111.1	C68	C68-R80 HydrophobicContact CB-CB 3.85Å
81	A	70.3	Confident	67	Low	1 Å²	1	44.3 Å²	44.3	1%	0.008	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	158.9	-175.4	0	0	0	0	0	113.5	V70 L86 L121	V70-A81 WeakPolarHBondContact CB-O 3.36Å; V70-A81 PolarHBondContact N-O 3.2Å; V70-A81 VanDerWaalsContact N-O 3.08Å; V70-A81 PolarHBondContact O-N 3.35Å; A81-L86 HydrophobicContact CB-CD1 3.98Å; A81-L86 HydrophobicContact CB-CD2 4.47Å; A81-L86 HydrophobicContact CB-CG 4.14Å; A81-L121 HydrophobicContact CB-CD1 4.35Å
82	H	72.3	Confident	66.5	Low	8 Å²	8	49.3 Å²	49.3	4%	0.037	30%	0.295	C	S	.	.			trans	-80.3	135.5	174.2	-60.5	93.2	0	0	0	111.5	L58 F67 A84 V85 L86 Y125	L58-H82 HydrophobicContact CD2-CB 4.48Å; L58-H82 PolarHBondContact O-CE1 2.79Å; F67-H82 PolarHBondContact O-CD2 3.46Å; H82-A84 PolarHBondContact O-N 3.08Å; H82-A84 VanDerWaalsContact O-N 3.13Å; H82-V85 HydrophobicContact CB-CG2 4.21Å; H82-V85 PolarHBondContact O-N 3.41Å; H82-L86 PolarHBondContact O-N 2.91Å; H82-Y125 PolarHBondContact N-OH 3.05Å; H82-Y125 AromaticContact ND1-CE1 3.68Å; H82-Y125 AromaticContact ND1-CZ 3.77Å; H82-Y125 PolarHBondContact ND1-OH 3.06Å
83	K	68.3	Low	66.1	Low	65 Å²	65	49.5 Å²	49.5	28%	0.283	30%	0.296	S	S	.	.	H	α-helix	trans	-54	-35.5	179.6	-165.4	159	-168.3	165.3	0	112.9	D69 V70 A87 L97 S100	D69-K83 HydrophobicContact CB-CB 4.15Å; V70-K83 HydrophobicContact CG2-CB 3.83Å; V70-K83 HydrophobicContact CG2-CG 4.17Å; K83-A87 WeakPolarHBondContact O-CB 3.17Å; K83-A87 PolarHBondContact O-N 3.4Å; K83-L97 HydrophobicContact CD-CD2 4.38Å; K83-L97 WeakPolarHBondContact CE-O 3.15Å; K83-L97 HydrophobicContact CG-CB 4.37Å; K83-L97 HydrophobicContact CG-CD1 4.1Å; K83-L97 HydrophobicContact CG-CD2 4.12Å; K83-L97 HydrophobicContact CG-CG 4.42Å; K83-L97 PolarHBondContact NZ-O 3.36Å; K83-S100 PolarHBondContact NZ-O 3.04Å
84	A	65.1	Low	65.5	Low	70 Å²	70	51.9 Å²	51.9	58%	0.579	31%	0.305	S	S	*	.	H	α-helix	trans	-71	-25.6	-179.8	0	0	0	0	0	114.9	H82 H88	H82-A84 PolarHBondContact O-N 3.08Å; H82-A84 VanDerWaalsContact O-N 3.13Å; A84-H88 PolarHBondContact O-N 3.25Å
85	V	67.4	Low	64.7	Low	8 Å²	8	53.9 Å²	53.9	5%	0.048	32%	0.322	C	S	.	.	H	α-helix	trans	-85.1	-46.4	-176.9	178.5	0	0	0	0	110.5	L58 H82 A87 H88 G89 L124 Y125	L58-V85 HydrophobicContact CB-CG2 4.47Å; L58-V85 HydrophobicContact CD1-CG2 3.88Å; H82-V85 HydrophobicContact CB-CG2 4.21Å; H82-V85 PolarHBondContact O-N 3.41Å; V85-A87 VanDerWaalsContact C-N 3.3Å; V85-A87 PolarHBondContact O-N 3.16Å; V85-H88 WeakPolarHBondContact O-CB 3.5Å; V85-H88 PolarHBondContact O-N 3.11Å; V85-G89 PolarHBondContact O-N 2.84Å; V85-L124 HydrophobicContact CG1-CB 3.81Å; V85-Y125 HydrophobicContact CB-CE1 4.36Å; V85-Y125 HydrophobicContact CB-CE2 4.41Å; V85-Y125 HydrophobicContact CG1-CD2 4.15Å; V85-Y125 HydrophobicContact CG1-CE1 4.31Å; V85-Y125 HydrophobicContact CG1-CE2 3.91Å; V85-Y125 HydrophobicContact CG1-CG 4.43Å; V85-Y125 HydrophobicContact CG2-CD1 4.35Å; V85-Y125 HydrophobicContact CG2-CE1 3.75Å
86	L	67.1	Low	64.6	Low	2 Å²	2	52.8 Å²	52.8	1%	0.01	30%	0.299	C	S	.	.	H	α-helix	trans	-61.2	-39.8	174.5	-63.7	175.9	0	0	0	111.8	V70 V72 A81 H82 H88 G89 S90 F93 L97 F117 L121	V70-L86 HydrophobicContact CB-CD1 4.36Å; V70-L86 HydrophobicContact CG1-CD1 3.97Å; V72-L86 HydrophobicContact CG2-CD1 3.68Å; A81-L86 HydrophobicContact CB-CD1 3.98Å; A81-L86 HydrophobicContact CB-CD2 4.47Å; A81-L86 HydrophobicContact CB-CG 4.14Å; H82-L86 PolarHBondContact O-N 2.91Å; L86-H88 PolarHBondContact O-N 3.01Å; L86-G89 PolarHBondContact O-N 3.14Å; L86-G89 VanDerWaalsContact O-N 3.16Å; L86-S90 PolarHBondContact O-N 2.81Å; L86-F93 HydrophobicContact CB-CB 4.19Å; L86-F93 HydrophobicContact CB-CD2 4.21Å; L86-F93 HydrophobicContact CB-CG 4.21Å; L86-L97 HydrophobicContact CB-CD1 4.15Å; L86-F117 HydrophobicContact CD2-CZ 4.37Å; L86-L121 HydrophobicContact CD2-CD1 4.04Å
87	A	63.5	Low	64.6	Low	35 Å²	35	50.6 Å²	50.6	29%	0.289	27%	0.273	S	S	.	.	H	α-helix	trans	-71.8	-9.3	175.9	0	0	0	0	0	114.6	K83 V85 L97	K83-A87 WeakPolarHBondContact O-CB 3.17Å; K83-A87 PolarHBondContact O-N 3.4Å; V85-A87 VanDerWaalsContact C-N 3.3Å; V85-A87 PolarHBondContact O-N 3.16Å; A87-L97 HydrophobicContact CB-CD1 4.32Å
88	H	63.9	Low	64.1	Low	150 Å²	150	51.4 Å²	51.4	69%	0.694	28%	0.281	S	S	*	.	H	α-helix	trans	-88.6	-27	169.4	-166.8	-51.8	0	0	0	111.6	A84 V85 L86	A84-H88 PolarHBondContact O-N 3.25Å; V85-H88 WeakPolarHBondContact O-CB 3.5Å; V85-H88 PolarHBondContact O-N 3.11Å; L86-H88 PolarHBondContact O-N 3.01Å
89	G	57.9	Low	63.3	Low	15 Å²	15	54.9 Å²	54.9	16%	0.155	29%	0.289	C	S	.	.	H	α-helix	trans	-75.9	-49	179.2	0	0	0	0	0	113.6	V85 L86 M148	V85-G89 PolarHBondContact O-N 2.84Å; L86-G89 PolarHBondContact O-N 3.14Å; L86-G89 VanDerWaalsContact O-N 3.16Å; G89-M148 VanDerWaalsContact O-CG 3.26Å; G89-M148 WeakPolarHBondContact O-CG 3.14Å
90	S	64	Low	62.4	Low	5 Å²	5	55 Å²	55	4%	0.035	30%	0.295	C	S	.	.			trans	-137.1	143.3	-166	-177.9	0	0	0	0	115	L86 Y92 H94 L146	L86-S90 PolarHBondContact O-N 2.81Å; S90-Y92 VanDerWaalsContact C-N 3.28Å; S90-Y92 PolarHBondContact O-N 3.26Å; S90-Y92 WeakPolarHBondContact OG-CB 3.5Å; S90-Y92 PolarHBondContact OG-N 3.04Å; S90-H94 PolarHBondContact O-N 3.21Å; S90-L146 WeakPolarHBondContact CB-O 3.39Å; S90-L146 PolarHBondContact OG-O 3.35Å
91	S	56.8	Low	61.3	Low	68 Å²	68	54.8 Å²	54.8	48%	0.476	31%	0.313	S	S	.	.	H	α-helix	trans	-62.1	-33.2	166.4	62.7	0	0	0	0	112.5	H94 A95 D147	S91-H94 PolarHBondContact O-N 2.96Å; S91-A95 PolarHBondContact O-N 3.27Å; S91-D147 WeakPolarHBondContact CB-OD2 3.48Å; S91-D147 PolarHBondContact OG-OD2 3.4Å
92	Y	61.2	Low	60.1	Low	106 Å²	106	57.5 Å²	57.5	42%	0.416	34%	0.34	S	S	.	.	H	α-helix	trans	-64.5	-55.5	178.3	-175.4	-88.7	0	0	0	111.3	S90 H94 A95 E96 L109	S90-Y92 VanDerWaalsContact C-N 3.28Å; S90-Y92 PolarHBondContact O-N 3.26Å; S90-Y92 WeakPolarHBondContact OG-CB 3.5Å; S90-Y92 PolarHBondContact OG-N 3.04Å; Y92-H94 VanDerWaalsContact C-N 3.29Å; Y92-H94 PolarHBondContact O-N 2.97Å; Y92-A95 WeakPolarHBondContact O-CA 3.24Å; Y92-A95 WeakPolarHBondContact O-CB 3.48Å; Y92-A95 PolarHBondContact O-N 3.49Å; Y92-E96 HydrophobicContact CD1-CG 4.41Å; Y92-E96 HydrophobicContact CE1-CG 4.03Å; Y92-E96 VanDerWaalsContact CE1-OE2 3.22Å; Y92-E96 WeakPolarHBondContact CE1-OE2 3.38Å; Y92-E96 PolarHBondContact O-N 2.86Å; Y92-E96 VanDerWaalsContact O-N 3.08Å; Y92-E96 PolarHBondContact OH-OE1 2.96Å; Y92-L109 HydrophobicContact CE1-CD2 4.49Å
93	F	64.6	Low	59.1	Low	4 Å²	4	63.9 Å²	63.9	2%	0.018	38%	0.38	C	S	.	.	H	α-helix	trans	-58.3	-42.2	176.6	-64.8	-49.7	0	0	0	111.1	L86 A95 E96 L97 V107 L109 F117 L146	L86-F93 HydrophobicContact CB-CB 4.19Å; L86-F93 HydrophobicContact CB-CD2 4.21Å; L86-F93 HydrophobicContact CB-CG 4.21Å; F93-A95 PolarHBondContact O-N 3.12Å; F93-E96 PolarHBondContact O-N 2.93Å; F93-L97 HydrophobicContact CB-CD1 4.08Å; F93-L97 WeakPolarHBondContact O-CB 3.34Å; F93-L97 WeakPolarHBondContact O-CD1 3.29Å; F93-L97 WeakPolarHBondContact O-CG 3.48Å; F93-L97 PolarHBondContact O-N 3.17Å; F93-V107 HydrophobicContact CE1-CG1 4.43Å; F93-L109 HydrophobicContact CE1-CD1 3.85Å; F93-L109 HydrophobicContact CE1-CD2 3.98Å; F93-L109 HydrophobicContact CE1-CG 4.36Å; F93-L109 HydrophobicContact CZ-CD1 3.7Å; F93-L109 HydrophobicContact CZ-CD2 4.31Å; F93-F117 HydrophobicContact CZ-CE2 4.27Å; F93-L146 HydrophobicContact CE2-CD1 4.26Å; F93-L146 HydrophobicContact CE2-CD2 4.29Å; F93-L146 HydrophobicContact CZ-CD1 4.27Å; F93-L146 HydrophobicContact CZ-CD2 3.99Å
94	H	58.7	Low	58.3	Low	113 Å²	113	65.6 Å²	65.6	52%	0.523	39%	0.391	S	S	.	.	H	α-helix	trans	-59.7	-33.6	175.2	-171.1	-69.5	0	0	0	112.7	S90 S91 Y92 S98	S90-H94 PolarHBondContact O-N 3.21Å; S91-H94 PolarHBondContact O-N 2.96Å; Y92-H94 VanDerWaalsContact C-N 3.29Å; Y92-H94 PolarHBondContact O-N 2.97Å; H94-S98 VanDerWaalsContact O-CB 3.3Å; H94-S98 WeakPolarHBondContact O-CB 3.4Å; H94-S98 PolarHBondContact O-N 2.82Å; H94-S98 PolarHBondContact O-OG 3.3Å
95	A	55.4	Low	58.1	Low	42 Å²	42	63 Å²	63	35%	0.347	37%	0.367	S	S	.	.	H	α-helix	trans	-72.2	-38.3	176.9	0	0	0	0	0	113.1	S91 Y92 F93 S98 K99	S91-A95 PolarHBondContact O-N 3.27Å; Y92-A95 WeakPolarHBondContact O-CA 3.24Å; Y92-A95 WeakPolarHBondContact O-CB 3.48Å; Y92-A95 PolarHBondContact O-N 3.49Å; F93-A95 PolarHBondContact O-N 3.12Å; A95-S98 PolarHBondContact O-OG 3.33Å; A95-K99 WeakPolarHBondContact O-CG 3.24Å; A95-K99 PolarHBondContact O-N 3.26Å
96	E	58.2	Low	57.7	Low	45 Å²	45	68.9 Å²	68.9	21%	0.21	39%	0.394	C	S	.	.	H	α-helix	trans	-75.1	-43.9	176.3	-62.7	-168.2	124.6	0	0	112.5	Y92 F93 S98 K99 S100 V107	Y92-E96 HydrophobicContact CD1-CG 4.41Å; Y92-E96 HydrophobicContact CE1-CG 4.03Å; Y92-E96 VanDerWaalsContact CE1-OE2 3.22Å; Y92-E96 WeakPolarHBondContact CE1-OE2 3.38Å; Y92-E96 PolarHBondContact O-N 2.86Å; Y92-E96 VanDerWaalsContact O-N 3.08Å; Y92-E96 PolarHBondContact OH-OE1 2.96Å; F93-E96 PolarHBondContact O-N 2.93Å; E96-S98 PolarHBondContact O-N 3.44Å; E96-S98 VanDerWaalsContact O-N 3.16Å; E96-K99 PolarHBondContact O-N 2.74Å; E96-K99 VanDerWaalsContact O-N 3.15Å; E96-S100 PolarHBondContact O-N 3.44Å; E96-S100 PolarHBondContact O-OG 3.38Å; E96-V107 VanDerWaalsContact OE2-CG1 3.24Å; E96-V107 WeakPolarHBondContact OE2-CG1 3.5Å
97	L	58.7	Low	57.5	Low	11 Å²	11	69.4 Å²	69.4	6%	0.058	40%	0.397	C	S	.	.	H	α-helix	trans	-65.7	-13.8	178.1	-68.1	173.7	0	0	0	113.1	V70 K83 L86 A87 F93 S100	V70-L97 HydrophobicContact CG1-CD2 4.12Å; V70-L97 HydrophobicContact CG2-CD2 3.77Å; K83-L97 HydrophobicContact CD-CD2 4.38Å; K83-L97 WeakPolarHBondContact CE-O 3.15Å; K83-L97 HydrophobicContact CG-CB 4.37Å; K83-L97 HydrophobicContact CG-CD1 4.1Å; K83-L97 HydrophobicContact CG-CD2 4.12Å; K83-L97 HydrophobicContact CG-CG 4.42Å; K83-L97 PolarHBondContact NZ-O 3.36Å; L86-L97 HydrophobicContact CB-CD1 4.15Å; A87-L97 HydrophobicContact CB-CD1 4.32Å; F93-L97 HydrophobicContact CB-CD1 4.08Å; F93-L97 WeakPolarHBondContact O-CB 3.34Å; F93-L97 WeakPolarHBondContact O-CD1 3.29Å; F93-L97 WeakPolarHBondContact O-CG 3.48Å; F93-L97 PolarHBondContact O-N 3.17Å; L97-S100 WeakPolarHBondContact CA-OG 3.41Å
98	S	56.5	Low	57.3	Low	78 Å²	78	71.4 Å²	71.4	55%	0.545	41%	0.406	S	S	.	.	H	α-helix	trans	-101.1	-20.9	172.9	56.3	0	0	0	0	114.6	H94 A95 E96	H94-S98 VanDerWaalsContact O-CB 3.3Å; H94-S98 WeakPolarHBondContact O-CB 3.4Å; H94-S98 PolarHBondContact O-N 2.82Å; H94-S98 PolarHBondContact O-OG 3.3Å; A95-S98 PolarHBondContact O-OG 3.33Å; E96-S98 PolarHBondContact O-N 3.44Å; E96-S98 VanDerWaalsContact O-N 3.16Å
99	K	57	Low	57.3	Low	165 Å²	165	64.7 Å²	64.7	72%	0.717	38%	0.375	S	S	*	.	H	α-helix	trans	-71.2	-42.9	164.5	-67.9	164.7	-171.6	171.9	0	110.8	A95 E96 S101	A95-K99 WeakPolarHBondContact O-CG 3.24Å; A95-K99 PolarHBondContact O-N 3.26Å; E96-K99 PolarHBondContact O-N 2.74Å; E96-K99 VanDerWaalsContact O-N 3.15Å; K99-S101 PolarHBondContact O-N 3.04Å
100	S	52.5	Low	57.1	Low	39 Å²	39	69.9 Å²	69.9	27%	0.273	40%	0.399	S	S	.	.			trans	-82.2	103.1	-177.2	54.4	0	0	0	0	112	K83 E96 L97 T105	K83-S100 PolarHBondContact NZ-O 3.04Å; E96-S100 PolarHBondContact O-N 3.44Å; E96-S100 PolarHBondContact O-OG 3.38Å; L97-S100 WeakPolarHBondContact CA-OG 3.41Å; S100-T105 WeakPolarHBondContact OG-CG2 3.24Å
101	S	47.3	Very low	56.9	Low	121 Å²	121	76.8 Å²	76.8	85%	0.846	43%	0.431	S	S	*	.			trans	-114.8	8.2	-175.5	46.3	0	0	0	0	114.2	K99	K99-S101 PolarHBondContact O-N 3.04Å
102	G	46.4	Very low	57.2	Low	57 Å²	57	74.2 Å²	74.2	59%	0.588	41%	0.412	S	S	*	.	S	Bend	trans	-96.1	172.8	169.5	0	0	0	0	0	113.1
103	T	50.6	Low	57.6	Low	143 Å²	143	75.5 Å²	75.5	88%	0.877	42%	0.422	S	S	*	.	S	Bend	trans	-67.5	140.1	-179.7	42.5	0	0	0	0	113.5
104	M	52.2	Low	57.8	Low	101 Å²	101	77.2 Å²	77.2	50%	0.498	43%	0.431	S	S	.	.	S	Bend	trans	51.2	85.2	176.4	-167.5	165.6	177.5	0	0	113.9	S71 H106	S71-M104 VanDerWaalsContact OG-CE 3.28Å; S71-M104 WeakPolarHBondContact OG-CE 3.32Å; M104-H106 PolarHBondContact O-N 3.34Å
105	T	60	Low	58.2	Low	14 Å²	14	74.3 Å²	74.3	9%	0.086	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	119	-176	60.3	0	0	0	0	110.5	V70 S71 S100	V70-T105 WeakPolarHBondContact CG1-O 3.14Å; S71-T105 PolarHBondContact N-O 2.75Å; S71-T105 VanDerWaalsContact N-O 3.1Å; S100-T105 WeakPolarHBondContact OG-CG2 3.24Å
106	H	59.2	Low	58.8	Low	133 Å²	133	72.8 Å²	72.8	62%	0.616	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	137.9	169.1	-72.8	-102.8	0	0	0	110.3	S71 M104	S71-H106 VanDerWaalsContact O-CA 3.29Å; S71-H106 WeakPolarHBondContact O-CA 3.33Å; M104-H106 PolarHBondContact O-N 3.34Å
107	V	63.3	Low	59.6	Low	12 Å²	12	70.9 Å²	70.9	7%	0.073	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	135.1	177.7	172.6	0	0	0	0	107.9	S71 V72 L73 F93 E96	S71-V107 PolarHBondContact O-N 2.69Å; V72-V107 CarbonylContact C-O 3.6Å; V72-V107 WeakPolarHBondContact CA-O 3.3Å; V72-V107 HydrophobicContact CG1-CG1 4.46Å; L73-V107 PolarHBondContact N-O 2.98Å; F93-V107 HydrophobicContact CE1-CG1 4.43Å; E96-V107 VanDerWaalsContact OE2-CG1 3.24Å; E96-V107 WeakPolarHBondContact OE2-CG1 3.5Å
108	T	58.8	Low	60.2	Low	77 Å²	77	76.3 Å²	76.3	47%	0.472	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	141.6	175.5	58.1	0	0	0	0	110.5	L73	L73-T108 HydrophobicContact CB-CG2 4.13Å; L73-T108 HydrophobicContact CD2-CG2 4.21Å; L73-T108 CarbonylContact O-C 3.42Å; L73-T108 WeakPolarHBondContact O-CA 3.48Å
109	L	63.3	Low	60.9	Low	9 Å²	9	75 Å²	75	5%	0.047	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	90.2	176.5	-64.3	174	0	0	0	109.6	V72 L73 V74 Y92 F93 H111 F117	V72-L109 HydrophobicContact CG1-CD1 3.66Å; V72-L109 HydrophobicContact CG1-CG 4.02Å; L73-L109 PolarHBondContact O-N 3.05Å; V74-L109 HydrophobicContact CG1-CB 4.48Å; V74-L109 HydrophobicContact CG2-CB 4.2Å; V74-L109 HydrophobicContact CG2-CD1 4.17Å; Y92-L109 HydrophobicContact CE1-CD2 4.49Å; F93-L109 HydrophobicContact CE1-CD1 3.85Å; F93-L109 HydrophobicContact CE1-CD2 3.98Å; F93-L109 HydrophobicContact CE1-CG 4.36Å; F93-L109 HydrophobicContact CZ-CD1 3.7Å; F93-L109 HydrophobicContact CZ-CD2 4.31Å; L109-H111 PolarHBondContact O-N 3.37Å; L109-F117 HydrophobicContact CD1-CD2 3.99Å; L109-F117 HydrophobicContact CD1-CE2 3.66Å; L109-F117 HydrophobicContact CD1-CZ 4.34Å
110	D	54.8	Low	61.6	Low	124 Å²	124	67.3 Å²	67.3	66%	0.663	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	9.8	-173	-46.3	-54.3	0	0	0	112.9
111	H	58.7	Low	62.5	Low	150 Å²	150	65.9 Å²	65.9	69%	0.694	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.4	18.4	-173.5	-61.3	-21	0	0	0	113.4	L109 F145	L109-H111 PolarHBondContact O-N 3.37Å; H111-F145 HydrophobicContact CB-CE1 4.26Å; H111-F145 HydrophobicContact CB-CZ 4.07Å; H111-F145 AromaticContact CD2-CZ 3.87Å
112	V	64.6	Low	63.5	Low	14 Å²	14	61.1 Å²	61.1	9%	0.085	34%	0.337	C	S	.	.	S	Bend	trans	-135	137.8	175.3	-174	0	0	0	0	107.8	V74 V116 F117 A142	V74-V112 HydrophobicContact CG1-CB 4.35Å; V74-V112 WeakPolarHBondContact CG1-O 3.42Å; V112-V116 HydrophobicContact CG1-CB 4.28Å; V112-V116 HydrophobicContact CG1-CG1 4.37Å; V112-F117 HydrophobicContact CG1-CB 4.02Å; V112-A142 HydrophobicContact CG1-CB 4.19Å
113	E	68.1	Low	64.7	Low	133 Å²	133	58.5 Å²	58.5	62%	0.621	31%	0.31	S	S	*	.			trans	-77.5	144.3	173.7	-62	-171.4	162.8	0	0	111.7	S115 V116 F117	E113-S115 WeakPolarHBondContact CB-OG 3.37Å; E113-S115 PolarHBondContact O-N 2.88Å; E113-S115 PolarHBondContact OE2-OG 3.17Å; E113-V116 HydrophobicContact CB-CG2 4.17Å; E113-V116 PolarHBondContact O-N 3.41Å; E113-F117 PolarHBondContact O-N 3.15Å
114	D	68.6	Low	65.6	Low	41 Å²	41	52.7 Å²	52.7	22%	0.219	27%	0.273	C	S	.	.	H	α-helix	trans	-51	-41.1	176.9	-71.1	27.5	0	0	0	113	V74 G75 T77 Y79 Q118	V74-D114 VanDerWaalsContact O-OD1 3.05Å; G75-D114 VanDerWaalsContact CA-OD1 3.28Å; G75-D114 WeakPolarHBondContact CA-OD1 3.47Å; G75-D114 PolarHBondContact N-OD1 3.41Å; T77-D114 WeakPolarHBondContact CB-OD2 3.41Å; T77-D114 WeakPolarHBondContact CG2-OD2 3.45Å; T77-D114 PolarHBondContact OG1-OD2 3.03Å; Y79-D114 WeakPolarHBondContact OH-CB 3.46Å; Y79-D114 PolarHBondContact OH-O 3.48Å; D114-Q118 WeakPolarHBondContact O-CB 3.45Å; D114-Q118 PolarHBondContact O-N 2.94Å
115	S	67.7	Low	66.4	Low	52 Å²	52	48 Å²	48	36%	0.364	25%	0.25	S	S	.	.	H	α-helix	trans	-55.4	-53.3	173	51.2	0	0	0	0	111.7	E113 Q118 H119	E113-S115 WeakPolarHBondContact CB-OG 3.37Å; E113-S115 PolarHBondContact O-N 2.88Å; E113-S115 PolarHBondContact OE2-OG 3.17Å; S115-Q118 PolarHBondContact O-N 2.86Å; S115-H119 PolarHBondContact O-N 3.13Å; S115-H119 PolarHBondContact O-ND1 3.34Å
116	V	69.1	Low	66.7	Low	9 Å²	9	50.6 Å²	50.6	6%	0.055	27%	0.266	C	S	.	.	H	α-helix	trans	-69.2	-43.3	-177.5	-177.4	0	0	0	0	110.6	V112 E113 Q118 H119 L120 A138 L139 A142	V112-V116 HydrophobicContact CG1-CB 4.28Å; V112-V116 HydrophobicContact CG1-CG1 4.37Å; E113-V116 HydrophobicContact CB-CG2 4.17Å; E113-V116 PolarHBondContact O-N 3.41Å; V116-Q118 VanDerWaalsContact C-N 3.33Å; V116-Q118 PolarHBondContact O-N 2.91Å; V116-H119 PolarHBondContact O-N 3.18Å; V116-L120 HydrophobicContact CG1-CD1 4.14Å; V116-L120 WeakPolarHBondContact O-CG 3.25Å; V116-L120 PolarHBondContact O-N 3.08Å; V116-A138 HydrophobicContact CG2-CB 3.93Å; V116-L139 HydrophobicContact CG1-CD1 4.11Å; V116-A142 HydrophobicContact CG1-CB 3.61Å
117	F	73.4	Confident	66.9	Low	6 Å²	6	45.1 Å²	45.1	3%	0.026	24%	0.242	C	C	.	.	H	α-helix	trans	-63.3	-38.8	176.7	-171.4	-104.8	0	0	0	112	V72 V74 Y79 L86 F93 L109 V112 E113 L120 L121	V72-F117 HydrophobicContact CB-CE1 4.36Å; V72-F117 HydrophobicContact CB-CZ 4.17Å; V72-F117 HydrophobicContact CG1-CE1 4.32Å; V72-F117 HydrophobicContact CG1-CE2 4.49Å; V72-F117 HydrophobicContact CG1-CZ 3.92Å; V72-F117 HydrophobicContact CG2-CZ 4.31Å; V74-F117 HydrophobicContact CG1-CB 4.18Å; V74-F117 HydrophobicContact CG2-CB 4.35Å; V74-F117 HydrophobicContact CG2-CD1 3.67Å; V74-F117 HydrophobicContact CG2-CD2 4.3Å; V74-F117 HydrophobicContact CG2-CE1 3.98Å; V74-F117 HydrophobicContact CG2-CG 3.85Å; V74-F117 HydrophobicContact CG2-CZ 4.43Å; Y79-F117 HydrophobicContact CD1-CD1 4.3Å; Y79-F117 HydrophobicContact CD1-CE1 4.42Å; Y79-F117 AromaticContact CD2-CD1 3.83Å; Y79-F117 HydrophobicContact CD2-CD1 3.83Å; Y79-F117 HydrophobicContact CD2-CE1 4.01Å; Y79-F117 HydrophobicContact CE2-CD1 4.06Å; Y79-F117 AromaticContact CG-CD1 3.95Å; Y79-F117 HydrophobicContact CG-CD1 3.95Å; Y79-F117 AromaticContact CG-CE1 3.86Å; Y79-F117 HydrophobicContact CG-CE1 3.86Å; L86-F117 HydrophobicContact CD2-CZ 4.37Å; F93-F117 HydrophobicContact CZ-CE2 4.27Å; L109-F117 HydrophobicContact CD1-CD2 3.99Å; L109-F117 HydrophobicContact CD1-CE2 3.66Å; L109-F117 HydrophobicContact CD1-CZ 4.34Å; V112-F117 HydrophobicContact CG1-CB 4.02Å; E113-F117 PolarHBondContact O-N 3.15Å; F117-L120 PolarHBondContact O-N 2.93Å; F117-L121 HydrophobicContact CE1-CD2 4.25Å; F117-L121 VanDerWaalsContact O-CB 3.23Å; F117-L121 WeakPolarHBondContact O-CB 3.5Å; F117-L121 PolarHBondContact O-N 3.45Å
118	Q	71.6	Confident	67.1	Low	125 Å²	125	48.8 Å²	48.8	58%	0.584	26%	0.259	S	S	*	.	H	α-helix	trans	-64	-39.7	175.9	-178.9	167.5	-48.1	0	0	112.6	Y79 D114 S115 V116 G122	Y79-Q118 HydrophobicContact CE1-CB 4.42Å; D114-Q118 WeakPolarHBondContact O-CB 3.45Å; D114-Q118 PolarHBondContact O-N 2.94Å; S115-Q118 PolarHBondContact O-N 2.86Å; V116-Q118 VanDerWaalsContact C-N 3.33Å; V116-Q118 PolarHBondContact O-N 2.91Å; Q118-G122 PolarHBondContact O-N 3.19Å
119	H	71	Confident	67.7	Low	49 Å²	49	45.9 Å²	45.9	23%	0.227	24%	0.242	C	C	.	.	H	α-helix	trans	-67.1	-43.3	174.6	-71.6	110.5	0	0	0	112.4	S115 V116 G122 L123 I131 D135 L139	S115-H119 PolarHBondContact O-N 3.13Å; S115-H119 PolarHBondContact O-ND1 3.34Å; V116-H119 PolarHBondContact O-N 3.18Å; H119-G122 PolarHBondContact O-N 3.1Å; H119-L123 PolarHBondContact O-N 3.11Å; H119-I131 HydrophobicContact CB-CD1 4.05Å; H119-I131 HydrophobicContact CB-CG1 4.46Å; H119-D135 IonicContact CE1-OD2 3.8Å; H119-L139 HydrophobicContact CB-CD1 3.87Å
120	L	71.8	Confident	67.9	Low	4 Å²	4	48.6 Å²	48.6	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-61.2	-45.6	174.6	-69.1	169.8	0	0	0	111.7	V116 F117 G122 L123 L124 L139 A142 L146 M148 I151	V116-L120 HydrophobicContact CG1-CD1 4.14Å; V116-L120 WeakPolarHBondContact O-CG 3.25Å; V116-L120 PolarHBondContact O-N 3.08Å; F117-L120 PolarHBondContact O-N 2.93Å; L120-G122 VanDerWaalsContact C-N 3.31Å; L120-G122 PolarHBondContact O-N 3.45Å; L120-L123 PolarHBondContact O-N 3.21Å; L120-L124 WeakPolarHBondContact O-CG 3.32Å; L120-L124 PolarHBondContact O-N 3.37Å; L120-L139 HydrophobicContact CD2-CD1 3.59Å; L120-L139 HydrophobicContact CD2-CG 3.95Å; L120-L139 HydrophobicContact CG-CD1 3.66Å; L120-L139 HydrophobicContact CG-CG 4.49Å; L120-A142 HydrophobicContact CD1-CB 3.98Å; L120-L146 HydrophobicContact CD1-CD1 4.41Å; L120-M148 HydrophobicContact CB-CE 4.41Å; L120-M148 HydrophobicContact CD1-CE 3.74Å; L120-M148 HydrophobicContact CD2-CE 3.65Å; L120-M148 HydrophobicContact CG-CE 4.13Å; L120-I151 HydrophobicContact CD2-CD1 4.11Å; L120-I151 HydrophobicContact CD2-CG2 4.44Å
121	L	71.1	Confident	68.7	Low	10 Å²	10	42.7 Å²	42.7	5%	0.052	23%	0.227	C	C	.	.	H	α-helix	trans	-63.8	-38.9	176.8	-164.4	67.2	0	0	0	110.9	Y79 A81 L86 F117 L124 Y125	Y79-L121 HydrophobicContact CD1-CD2 4.26Å; A81-L121 HydrophobicContact CB-CD1 4.35Å; L86-L121 HydrophobicContact CD2-CD1 4.04Å; F117-L121 HydrophobicContact CE1-CD2 4.25Å; F117-L121 VanDerWaalsContact O-CB 3.23Å; F117-L121 WeakPolarHBondContact O-CB 3.5Å; F117-L121 PolarHBondContact O-N 3.45Å; L121-L124 PolarHBondContact O-N 2.78Å; L121-Y125 HydrophobicContact CD1-CD2 4.14Å; L121-Y125 HydrophobicContact CD1-CE2 3.74Å; L121-Y125 HydrophobicContact CG-CD2 4.03Å; L121-Y125 HydrophobicContact CG-CE2 3.98Å; L121-Y125 VanDerWaalsContact O-CD2 3.29Å; L121-Y125 WeakPolarHBondContact O-CD2 3.45Å; L121-Y125 PolarHBondContact O-N 2.96Å; L121-Y125 VanDerWaalsContact O-N 3.17Å
122	G	69.6	Low	69.3	Low	21 Å²	21	36.4 Å²	36.4	22%	0.216	20%	0.2	C	C	.	.	H	α-helix	trans	-53.8	-61.6	170.1	0	0	0	0	0	111.6	Q118 H119 L120 L124 Y125 T126	Q118-G122 PolarHBondContact O-N 3.19Å; H119-G122 PolarHBondContact O-N 3.1Å; L120-G122 VanDerWaalsContact C-N 3.31Å; L120-G122 PolarHBondContact O-N 3.45Å; G122-L124 PolarHBondContact O-N 3.01Å; G122-L124 VanDerWaalsContact O-N 3.14Å; G122-Y125 PolarHBondContact O-N 3.29Å; G122-T126 PolarHBondContact O-N 3.05Å; G122-T126 PolarHBondContact O-OG1 2.78Å
123	L	71.9	Confident	69.2	Low	2 Å²	2	40.3 Å²	40.3	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-52.2	-39.1	-180	-172	64.1	0	0	0	112.8	L45 M47 H119 L120 S127 C129 I151	L45-L123 HydrophobicContact CB-CD1 4.34Å; M47-L123 HydrophobicContact CG-CD1 3.97Å; M47-L123 HydrophobicContact CG-CG 4.15Å; M47-L123 HydrophobicContact SD-CG 4.29Å; H119-L123 PolarHBondContact O-N 3.11Å; L120-L123 PolarHBondContact O-N 3.21Å; L123-S127 WeakPolarHBondContact O-CA 3.39Å; L123-S127 PolarHBondContact O-N 3.2Å; L123-C129 HydrophobicContact CB-CB 4.08Å; L123-C129 HydrophobicContact CD1-CB 3.95Å; L123-I151 HydrophobicContact CD2-CD1 4.11Å; L123-I151 HydrophobicContact CD2-CG1 3.98Å; L123-I151 HydrophobicContact CD2-CG2 3.95Å
124	L	69.9	Low	69.3	Low	21 Å²	21	38.3 Å²	38.3	11%	0.11	22%	0.215	C	C	.	.	H	α-helix	trans	-71.6	-21.5	176.9	-70.6	172.4	0	0	0	115	L55 V85 L120 L121 G122	L55-L124 VanDerWaalsContact CD2-O 3.31Å; L55-L124 WeakPolarHBondContact CD2-O 3.13Å; V85-L124 HydrophobicContact CG1-CB 3.81Å; L120-L124 WeakPolarHBondContact O-CG 3.32Å; L120-L124 PolarHBondContact O-N 3.37Å; L121-L124 PolarHBondContact O-N 2.78Å; G122-L124 PolarHBondContact O-N 3.01Å; G122-L124 VanDerWaalsContact O-N 3.14Å
125	Y	67.3	Low	69.3	Low	3 Å²	3	38.9 Å²	38.9	1%	0.012	22%	0.218	C	C	.	.	H	α-helix	trans	-102.5	-30.1	177.5	-86.3	-76.3	0	0	0	114.5	L58 N59 R62 H82 V85 L121 G122	L58-Y125 HydrophobicContact CB-CE1 4.19Å; N59-Y125 HydrophobicContact CB-CD1 4.09Å; R62-Y125 HydrophobicContact CB-CE1 4.32Å; H82-Y125 PolarHBondContact N-OH 3.05Å; H82-Y125 AromaticContact ND1-CE1 3.68Å; H82-Y125 AromaticContact ND1-CZ 3.77Å; H82-Y125 PolarHBondContact ND1-OH 3.06Å; V85-Y125 HydrophobicContact CB-CE1 4.36Å; V85-Y125 HydrophobicContact CB-CE2 4.41Å; V85-Y125 HydrophobicContact CG1-CD2 4.15Å; V85-Y125 HydrophobicContact CG1-CE1 4.31Å; V85-Y125 HydrophobicContact CG1-CE2 3.91Å; V85-Y125 HydrophobicContact CG1-CG 4.43Å; V85-Y125 HydrophobicContact CG2-CD1 4.35Å; V85-Y125 HydrophobicContact CG2-CE1 3.75Å; L121-Y125 HydrophobicContact CD1-CD2 4.14Å; L121-Y125 HydrophobicContact CD1-CE2 3.74Å; L121-Y125 HydrophobicContact CG-CD2 4.03Å; L121-Y125 HydrophobicContact CG-CE2 3.98Å; L121-Y125 VanDerWaalsContact O-CD2 3.29Å; L121-Y125 WeakPolarHBondContact O-CD2 3.45Å; L121-Y125 PolarHBondContact O-N 2.96Å; L121-Y125 VanDerWaalsContact O-N 3.17Å; G122-Y125 PolarHBondContact O-N 3.29Å
126	T	66.8	Low	69.4	Low	68 Å²	68	37.4 Å²	37.4	42%	0.417	21%	0.206	S	C	.	.	H	α-helix	trans	-107.1	-10.5	-176.2	47	0	0	0	0	114	G122 E128	G122-T126 PolarHBondContact O-N 3.05Å; G122-T126 PolarHBondContact O-OG1 2.78Å; T126-E128 PolarHBondContact O-N 3.34Å; T126-E128 PolarHBondContact OG1-O 3.32Å
127	S	64	Low	69.4	Low	17 Å²	17	41 Å²	41	12%	0.119	23%	0.229	C	C	.	.	S	Bend	trans	63.9	-21.3	-172.5	-32.4	0	0	0	0	115	T46 M47 Q49 L123	T46-S127 CarbonylContact C-O 3.28Å; T46-S127 WeakPolarHBondContact CA-O 3.47Å; M47-S127 PolarHBondContact N-O 3.31Å; Q49-S127 PolarHBondContact NE2-OG 3.18Å; Q49-S127 VanDerWaalsContact NE2-OG 3.13Å; Q49-S127 PolarHBondContact OE1-OG 2.6Å; L123-S127 WeakPolarHBondContact O-CA 3.39Å; L123-S127 PolarHBondContact O-N 3.2Å
128	E	67.1	Low	69.3	Low	89 Å²	89	42.5 Å²	42.5	42%	0.416	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	138.9	171.9	-64.9	-173.8	-141.9	0	0	110	R44 L45 T46 T126	R44-E128 IonicContact CZ-OE2 2.68Å; R44-E128 IonicContact NH1-OE2 2.67Å; R44-E128 PolarHBondContact NH1-OE2 3.37Å; L45-E128 CarbonylContact O-C 3.58Å; L45-E128 VanDerWaalsContact O-CA 3.3Å; L45-E128 WeakPolarHBondContact O-CA 3.26Å; T46-E128 HydrophobicContact CG2-CG 3.9Å; T126-E128 PolarHBondContact O-N 3.34Å; T126-E128 PolarHBondContact OG1-O 3.32Å
129	C	70.7	Confident	69.3	Low	17 Å²	17	36.7 Å²	36.7	12%	0.115	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	151.6	170.2	-159.7	0	0	0	0	110	R44 L45 L123 I131	R44-C129 CarbonylContact C-O 3.49Å; R44-C129 WeakPolarHBondContact CA-O 3.44Å; L45-C129 PolarHBondContact N-O 3.38Å; L45-C129 PolarHBondContact O-N 3.4Å; L123-C129 HydrophobicContact CB-CB 4.08Å; L123-C129 HydrophobicContact CD1-CB 3.95Å; C129-I131 HydrophobicContact CB-CD1 4.21Å; C129-I131 HydrophobicContact CB-CG1 4.22Å
130	V	68.4	Low	69.4	Low	65 Å²	65	34.8 Å²	34.8	39%	0.394	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	125.1	172.8	-179	0	0	0	0	106.9	L42 R43 R44	L42-V130 HydrophobicContact CB-CG1 3.96Å; L42-V130 HydrophobicContact CD2-CG1 4.39Å; R43-V130 WeakPolarHBondContact O-CA 3.17Å; R44-V130 HydrophobicContact CB-CG2 4.24Å; R44-V130 HydrophobicContact CG-CG2 4.18Å
131	I	71.1	Confident	69.2	Low	1 Å²	1	41.2 Å²	41.2	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	140.3	-166.2	-51.6	-177	0	0	0	107.8	R43 L45 H119 C129 D135 L136 L139	R43-I131 PolarHBondContact N-O 3.11Å; R43-I131 PolarHBondContact O-N 3.24Å; L45-I131 HydrophobicContact CD1-CD1 3.93Å; H119-I131 HydrophobicContact CB-CD1 4.05Å; H119-I131 HydrophobicContact CB-CG1 4.46Å; C129-I131 HydrophobicContact CB-CD1 4.21Å; C129-I131 HydrophobicContact CB-CG1 4.22Å; I131-D135 HydrophobicContact CG2-CB 3.83Å; I131-L136 HydrophobicContact CB-CD2 4.27Å; I131-L136 HydrophobicContact CG2-CD2 4.19Å; I131-L139 HydrophobicContact CD1-CD1 4.18Å; I131-L139 HydrophobicContact CD1-CD2 3.43Å; I131-L139 VanDerWaalsContact CD1-CD2 3.43Å; I131-L139 HydrophobicContact CD1-CG 4.45Å
132	A	70.6	Confident	69.1	Low	17 Å²	17	41.3 Å²	41.3	14%	0.14	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	144.7	174.4	0	0	0	0	0	110.7	L42 T134 D135	L42-A132 HydrophobicContact CD2-CB 4.21Å; A132-T134 WeakPolarHBondContact CB-OG1 2.93Å; A132-T134 PolarHBondContact O-N 2.95Å; A132-T134 VanDerWaalsContact O-N 3.17Å; A132-D135 PolarHBondContact O-N 3.3Å
133	E	64.6	Low	69.2	Low	97 Å²	97	40.3 Å²	40.3	45%	0.453	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-22.6	-178.4	-64.2	-170.2	158.8	0	0	113.1	P41 R43 D135 L136	P41-E133 HydrophobicContact CB-CG 4.03Å; P41-E133 HydrophobicContact CG-CB 4.07Å; P41-E133 HydrophobicContact CG-CG 3.96Å; P41-E133 WeakPolarHBondContact CG-OE2 3.27Å; P41-E133 PolarHBondContact O-N 3.06Å; P41-E133 VanDerWaalsContact O-N 3.08Å; R43-E133 HydrophobicContact CB-CG 4.24Å; E133-D135 PolarHBondContact O-N 3.32Å; E133-L136 HydrophobicContact CB-CD1 4.15Å; E133-L136 HydrophobicContact CG-CD1 4.05Å
134	T	68.2	Low	69.2	Low	90 Å²	90	46.9 Å²	46.9	55%	0.552	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-32.2	169.3	47.8	0	0	0	0	113.7	A132 P137	A132-T134 WeakPolarHBondContact CB-OG1 2.93Å; A132-T134 PolarHBondContact O-N 2.95Å; A132-T134 VanDerWaalsContact O-N 3.17Å; T134-P137 WeakPolarHBondContact O-CD 3.31Å
135	D	69	Low	69.1	Low	54 Å²	54	51.6 Å²	51.6	29%	0.289	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-14.9	-168.5	-51.3	-0.5	0	0	0	111.2	H119 I131 A132 E133 P137 A138 L139	H119-D135 IonicContact CE1-OD2 3.8Å; I131-D135 HydrophobicContact CG2-CB 3.83Å; A132-D135 PolarHBondContact O-N 3.3Å; E133-D135 PolarHBondContact O-N 3.32Å; D135-P137 VanDerWaalsContact C-CD 3.46Å; D135-A138 PolarHBondContact O-N 2.61Å; D135-L139 WeakPolarHBondContact O-CB 3.38Å; D135-L139 PolarHBondContact O-N 3.47Å
136	L	70.5	Confident	69	Low	20 Å²	20	51.6 Å²	51.6	11%	0.105	28%	0.275	C	S	.	.	H	α-helix	trans	-58	-37.8	178.3	-62.2	173.6	0	0	0	114.2	R43 L45 I131 E133 A140 L155	R43-L136 HydrophobicContact CB-CD1 4.13Å; R43-L136 HydrophobicContact CG-CD1 4.48Å; L45-L136 HydrophobicContact CD1-CD2 4.27Å; I131-L136 HydrophobicContact CB-CD2 4.27Å; I131-L136 HydrophobicContact CG2-CD2 4.19Å; E133-L136 HydrophobicContact CB-CD1 4.15Å; E133-L136 HydrophobicContact CG-CD1 4.05Å; L136-A140 VanDerWaalsContact O-CB 3.27Å; L136-A140 WeakPolarHBondContact O-CB 3.21Å; L136-A140 PolarHBondContact O-N 3.46Å; L136-L155 HydrophobicContact CD2-CD2 3.93Å
137	P	69.9	Low	69	Low	84 Å²	84	52.2 Å²	52.2	55%	0.545	28%	0.276	S	S	.	.	H	α-helix	trans	-64.3	-47.1	175.6	-21.3	34.4	0	0	0	111.9	T134 D135 A140 E141	T134-P137 WeakPolarHBondContact O-CD 3.31Å; D135-P137 VanDerWaalsContact C-CD 3.46Å; P137-A140 CarbonylContact O-C 3.57Å; P137-A140 PolarHBondContact O-N 3.12Å; P137-E141 PolarHBondContact O-N 2.81Å
138	A	71.3	Confident	69.4	Low	39 Å²	39	51.6 Å²	51.6	32%	0.322	27%	0.271	S	S	.	.	H	α-helix	trans	-65.1	-39	177.9	0	0	0	0	0	111.8	V116 D135 E141 A142	V116-A138 HydrophobicContact CG2-CB 3.93Å; D135-A138 PolarHBondContact O-N 2.61Å; A138-E141 PolarHBondContact O-N 2.88Å; A138-A142 WeakPolarHBondContact O-CB 3.49Å; A138-A142 PolarHBondContact O-N 2.93Å
139	L	71.5	Confident	69.4	Low	2 Å²	2	51.6 Å²	51.6	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-61.3	-42	171.7	-164.8	85.6	0	0	0	112	L45 V116 H119 L120 I131 D135 A143 L155	L45-L139 HydrophobicContact CD1-CD2 4Å; V116-L139 HydrophobicContact CG1-CD1 4.11Å; H119-L139 HydrophobicContact CB-CD1 3.87Å; L120-L139 HydrophobicContact CD2-CD1 3.59Å; L120-L139 HydrophobicContact CD2-CG 3.95Å; L120-L139 HydrophobicContact CG-CD1 3.66Å; L120-L139 HydrophobicContact CG-CG 4.49Å; I131-L139 HydrophobicContact CD1-CD1 4.18Å; I131-L139 HydrophobicContact CD1-CD2 3.43Å; I131-L139 VanDerWaalsContact CD1-CD2 3.43Å; I131-L139 HydrophobicContact CD1-CG 4.45Å; D135-L139 WeakPolarHBondContact O-CB 3.38Å; D135-L139 PolarHBondContact O-N 3.47Å; L139-A143 WeakPolarHBondContact O-CB 3.47Å; L139-A143 PolarHBondContact O-N 2.89Å; L139-L155 HydrophobicContact CD2-CD1 4.19Å; L139-L155 HydrophobicContact CD2-CD2 4.17Å
140	A	71.6	Confident	69.2	Low	10 Å²	10	55.2 Å²	55.2	8%	0.083	29%	0.29	C	S	.	.	H	α-helix	trans	-70.4	-31.5	176.4	0	0	0	0	0	112.3	L136 P137 R144 L152 L155	L136-A140 VanDerWaalsContact O-CB 3.27Å; L136-A140 WeakPolarHBondContact O-CB 3.21Å; L136-A140 PolarHBondContact O-N 3.46Å; P137-A140 CarbonylContact O-C 3.57Å; P137-A140 PolarHBondContact O-N 3.12Å; A140-R144 VanDerWaalsContact O-CG 3.28Å; A140-R144 WeakPolarHBondContact O-CG 3.19Å; A140-R144 PolarHBondContact O-N 2.78Å; A140-R144 VanDerWaalsContact O-N 3.09Å; A140-R144 PolarHBondContact O-NH1 3.05Å; A140-L152 WeakPolarHBondContact O-CD2 3.29Å; A140-L155 HydrophobicContact CB-CD1 3.92Å
141	E	68.9	Low	69.3	Low	139 Å²	139	52.3 Å²	52.3	65%	0.65	27%	0.273	S	S	*	.	H	α-helix	trans	-71.6	-50.2	174	-174.2	160.9	-163.3	0	0	111.3	P137 A138 A143 R144 F145	P137-E141 PolarHBondContact O-N 2.81Å; A138-E141 PolarHBondContact O-N 2.88Å; E141-A143 VanDerWaalsContact C-N 3.29Å; E141-A143 PolarHBondContact O-N 3.23Å; E141-R144 WeakPolarHBondContact O-CA 3.37Å; E141-R144 WeakPolarHBondContact O-CB 3.18Å; E141-R144 PolarHBondContact O-N 2.88Å; E141-F145 PolarHBondContact O-N 2.87Å
142	A	69.3	Low	69.3	Low	11 Å²	11	53.1 Å²	53.1	9%	0.091	28%	0.277	C	S	.	.	H	α-helix	trans	-59.1	-38	173.8	0	0	0	0	0	112.4	V112 V116 L120 A138 F145 L146	V112-A142 HydrophobicContact CG1-CB 4.19Å; V116-A142 HydrophobicContact CG1-CB 3.61Å; L120-A142 HydrophobicContact CD1-CB 3.98Å; A138-A142 WeakPolarHBondContact O-CB 3.49Å; A138-A142 PolarHBondContact O-N 2.93Å; A142-F145 PolarHBondContact O-N 3.09Å; A142-L146 VanDerWaalsContact O-CB 3.31Å; A142-L146 WeakPolarHBondContact O-CB 3.44Å; A142-L146 WeakPolarHBondContact O-CG 3.3Å; A142-L146 PolarHBondContact O-N 3.09Å
143	A	71.4	Confident	69.4	Low	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-70.5	-25.7	174.3	0	0	0	0	0	113.6	L139 E141 D147 M148 I151 L152	L139-A143 WeakPolarHBondContact O-CB 3.47Å; L139-A143 PolarHBondContact O-N 2.89Å; E141-A143 VanDerWaalsContact C-N 3.29Å; E141-A143 PolarHBondContact O-N 3.23Å; A143-D147 PolarHBondContact O-N 2.99Å; A143-M148 HydrophobicContact CB-CB 4.3Å; A143-M148 HydrophobicContact CB-CE 4.35Å; A143-M148 PolarHBondContact O-N 3.5Å; A143-I151 HydrophobicContact CB-CB 4.45Å; A143-I151 HydrophobicContact CB-CG2 4.15Å; A143-L152 HydrophobicContact CB-CD2 3.58Å; A143-L152 HydrophobicContact CB-CG 4Å
144	R	72.3	Confident	69.7	Low	141 Å²	141	55 Å²	55	53%	0.532	28%	0.282	S	S	.	.	H	α-helix	trans	-74	-46.7	168.5	-75.7	174.8	-163	101.9	-5.5	111.3	A140 E141 L146 D147 L152	A140-R144 VanDerWaalsContact O-CG 3.28Å; A140-R144 WeakPolarHBondContact O-CG 3.19Å; A140-R144 PolarHBondContact O-N 2.78Å; A140-R144 VanDerWaalsContact O-N 3.09Å; A140-R144 PolarHBondContact O-NH1 3.05Å; E141-R144 WeakPolarHBondContact O-CA 3.37Å; E141-R144 WeakPolarHBondContact O-CB 3.18Å; E141-R144 PolarHBondContact O-N 2.88Å; R144-L146 VanDerWaalsContact C-N 3.26Å; R144-L146 PolarHBondContact O-N 2.78Å; R144-D147 PolarHBondContact O-N 3.49Å; R144-D147 VanDerWaalsContact O-N 3.1Å; R144-L152 HydrophobicContact CB-CD1 4.4Å; R144-L152 HydrophobicContact CG-CD1 3.66Å; R144-L152 HydrophobicContact CG-CD2 3.76Å; R144-L152 HydrophobicContact CG-CG 4.38Å
145	F	66.8	Low	69.7	Low	120 Å²	120	51.6 Å²	51.6	53%	0.526	26%	0.261	S	S	.	.	H	α-helix	trans	-57.4	-40.2	177.1	-176.6	-97.2	0	0	0	112	H111 E141 A142	H111-F145 HydrophobicContact CB-CE1 4.26Å; H111-F145 HydrophobicContact CB-CZ 4.07Å; H111-F145 AromaticContact CD2-CZ 3.87Å; E141-F145 PolarHBondContact O-N 2.87Å; A142-F145 PolarHBondContact O-N 3.09Å
146	L	65.7	Low	69.6	Low	2 Å²	2	52.5 Å²	52.5	1%	0.01	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	12	178.3	-62.8	173.3	0	0	0	114.2	S90 F93 L120 A142 R144 M148	S90-L146 WeakPolarHBondContact CB-O 3.39Å; S90-L146 PolarHBondContact OG-O 3.35Å; F93-L146 HydrophobicContact CE2-CD1 4.26Å; F93-L146 HydrophobicContact CE2-CD2 4.29Å; F93-L146 HydrophobicContact CZ-CD1 4.27Å; F93-L146 HydrophobicContact CZ-CD2 3.99Å; L120-L146 HydrophobicContact CD1-CD1 4.41Å; A142-L146 VanDerWaalsContact O-CB 3.31Å; A142-L146 WeakPolarHBondContact O-CB 3.44Å; A142-L146 WeakPolarHBondContact O-CG 3.3Å; A142-L146 PolarHBondContact O-N 3.09Å; R144-L146 VanDerWaalsContact C-N 3.26Å; R144-L146 PolarHBondContact O-N 2.78Å; L146-M148 HydrophobicContact CB-CE 4.03Å; L146-M148 HydrophobicContact CB-CG 3.75Å; L146-M148 HydrophobicContact CB-SD 4.17Å; L146-M148 HydrophobicContact CD1-CE 3.91Å; L146-M148 WeakPolarHBondContact O-CG 3.49Å; L146-M148 PolarHBondContact O-N 3.22Å; L146-M148 VanDerWaalsContact O-N 3.15Å
147	D	65.8	Low	68.9	Low	81 Å²	81	58.5 Å²	58.5	43%	0.433	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	29.1	175.3	-168.8	35.8	0	0	0	114.4	S91 A143 R144 M149	S91-D147 WeakPolarHBondContact CB-OD2 3.48Å; S91-D147 PolarHBondContact OG-OD2 3.4Å; A143-D147 PolarHBondContact O-N 2.99Å; R144-D147 PolarHBondContact O-N 3.49Å; R144-D147 VanDerWaalsContact O-N 3.1Å; D147-M149 VanDerWaalsContact C-N 3.29Å; D147-M149 PolarHBondContact O-N 3.4Å; D147-M149 WeakPolarHBondContact OD1-CE 3.21Å
148	M	73.4	Confident	68	Low	5 Å²	5	59.3 Å²	59.3	3%	0.025	30%	0.298	C	S	.	.			trans	-87.9	63.1	-171.1	-55.9	-156	-72.6	0	0	112	G89 L120 A143 L146 D150 I151 L152	G89-M148 VanDerWaalsContact O-CG 3.26Å; G89-M148 WeakPolarHBondContact O-CG 3.14Å; L120-M148 HydrophobicContact CB-CE 4.41Å; L120-M148 HydrophobicContact CD1-CE 3.74Å; L120-M148 HydrophobicContact CD2-CE 3.65Å; L120-M148 HydrophobicContact CG-CE 4.13Å; A143-M148 HydrophobicContact CB-CB 4.3Å; A143-M148 HydrophobicContact CB-CE 4.35Å; A143-M148 PolarHBondContact O-N 3.5Å; L146-M148 HydrophobicContact CB-CE 4.03Å; L146-M148 HydrophobicContact CB-CG 3.75Å; L146-M148 HydrophobicContact CB-SD 4.17Å; L146-M148 HydrophobicContact CD1-CE 3.91Å; L146-M148 WeakPolarHBondContact O-CG 3.49Å; L146-M148 PolarHBondContact O-N 3.22Å; L146-M148 VanDerWaalsContact O-N 3.15Å; M148-D150 PolarHBondContact O-N 2.87Å; M148-I151 HydrophobicContact CB-CB 4.43Å; M148-I151 HydrophobicContact CB-CD1 4.12Å; M148-I151 HydrophobicContact CB-CG1 4.47Å; M148-I151 HydrophobicContact CE-CD1 3.95Å; M148-I151 PolarHBondContact O-N 3.42Å; M148-I151 HydrophobicContact SD-CD1 4.11Å; M148-L152 PolarHBondContact O-N 3.45Å
149	M	66.6	Low	66.7	Low	89 Å²	89	60.6 Å²	60.6	44%	0.438	31%	0.314	S	S	.	.	H	α-helix	trans	-54.1	-28.7	-168.8	-68.7	-63.8	130.7	0	0	115.9	D147 L152 K153	D147-M149 VanDerWaalsContact C-N 3.29Å; D147-M149 PolarHBondContact O-N 3.4Å; D147-M149 WeakPolarHBondContact OD1-CE 3.21Å; M149-L152 HydrophobicContact CE-CD1 3.66Å; M149-L152 HydrophobicContact SD-CD1 4.04Å; M149-K153 WeakPolarHBondContact O-CE 3.33Å; M149-K153 VanDerWaalsContact O-CG 3.3Å; M149-K153 WeakPolarHBondContact O-CG 3.23Å; M149-K153 PolarHBondContact O-N 3.02Å; M149-K153 VanDerWaalsContact O-N 3.12Å
150	D	66.8	Low	65	Low	92 Å²	92	69.5 Å²	69.5	49%	0.492	35%	0.353	S	S	.	.	H	α-helix	trans	-80.4	-26.4	179.3	-65.8	-30.1	0	0	0	113.1	M47 M148 K153	M47-D150 HydrophobicContact CE-CB 3.87Å; M148-D150 PolarHBondContact O-N 2.87Å; D150-K153 IonicContact OD1-NZ 3.88Å; D150-K153 PolarHBondContact OD1-NZ 3.26Å
151	I	70.9	Confident	63.3	Low	5 Å²	5	73.2 Å²	73.2	3%	0.026	38%	0.384	C	S	.	.	H	α-helix	trans	-72.6	-41	169.6	-61.7	175.5	0	0	0	109.3	M47 L120 L123 A143 M148 K153 L154 L155	M47-I151 HydrophobicContact CE-CG1 4.31Å; M47-I151 HydrophobicContact SD-CG1 4.3Å; L120-I151 HydrophobicContact CD2-CD1 4.11Å; L120-I151 HydrophobicContact CD2-CG2 4.44Å; L123-I151 HydrophobicContact CD2-CD1 4.11Å; L123-I151 HydrophobicContact CD2-CG1 3.98Å; L123-I151 HydrophobicContact CD2-CG2 3.95Å; A143-I151 HydrophobicContact CB-CB 4.45Å; A143-I151 HydrophobicContact CB-CG2 4.15Å; M148-I151 HydrophobicContact CB-CB 4.43Å; M148-I151 HydrophobicContact CB-CD1 4.12Å; M148-I151 HydrophobicContact CB-CG1 4.47Å; M148-I151 HydrophobicContact CE-CD1 3.95Å; M148-I151 PolarHBondContact O-N 3.42Å; M148-I151 HydrophobicContact SD-CD1 4.11Å; I151-K153 PolarHBondContact O-N 3.34Å; I151-L154 PolarHBondContact O-N 2.91Å; I151-L155 HydrophobicContact CG2-CD1 3.95Å; I151-L155 WeakPolarHBondContact O-CG 3.39Å; I151-L155 PolarHBondContact O-N 3.15Å
152	L	70.8	Confident	61.8	Low	17 Å²	17	72.6 Å²	72.6	9%	0.089	39%	0.389	C	S	.	.	H	α-helix	trans	-62.8	-38	177.9	-65.8	176.1	0	0	0	113.4	A140 A143 R144 M148 M149 L155 C156	A140-L152 WeakPolarHBondContact O-CD2 3.29Å; A143-L152 HydrophobicContact CB-CD2 3.58Å; A143-L152 HydrophobicContact CB-CG 4Å; R144-L152 HydrophobicContact CB-CD1 4.4Å; R144-L152 HydrophobicContact CG-CD1 3.66Å; R144-L152 HydrophobicContact CG-CD2 3.76Å; R144-L152 HydrophobicContact CG-CG 4.38Å; M148-L152 PolarHBondContact O-N 3.45Å; M149-L152 HydrophobicContact CE-CD1 3.66Å; M149-L152 HydrophobicContact SD-CD1 4.04Å; L152-L155 PolarHBondContact O-N 3.35Å; L152-C156 WeakPolarHBondContact O-CB 3.22Å; L152-C156 PolarHBondContact O-N 3.37Å; L152-C156 PolarHBondContact O-SG 2.93Å; L152-C156 VanDerWaalsContact O-SG 3.41Å
153	K	73.4	Confident	59.8	Low	106 Å²	106	77.7 Å²	77.7	46%	0.461	43%	0.425	S	S	.	.	H	α-helix	trans	-58.2	-53.1	173.3	-71.8	162.4	-158.4	164.1	0	110.7	M149 D150 I151 L155 C156 E157	M149-K153 WeakPolarHBondContact O-CE 3.33Å; M149-K153 VanDerWaalsContact O-CG 3.3Å; M149-K153 WeakPolarHBondContact O-CG 3.23Å; M149-K153 PolarHBondContact O-N 3.02Å; M149-K153 VanDerWaalsContact O-N 3.12Å; D150-K153 IonicContact OD1-NZ 3.88Å; D150-K153 PolarHBondContact OD1-NZ 3.26Å; I151-K153 PolarHBondContact O-N 3.34Å; K153-L155 PolarHBondContact O-N 3.28Å; K153-C156 CarbonylContact O-C 3.23Å; K153-C156 WeakPolarHBondContact O-CA 3.29Å; K153-C156 PolarHBondContact O-N 2.88Å; K153-E157 HydrophobicContact CB-CG 4.46Å; K153-E157 WeakPolarHBondContact O-CG 3.49Å; K153-E157 PolarHBondContact O-N 2.86Å
154	L	70.2	Confident	57.8	Low	48 Å²	48	83.4 Å²	83.4	25%	0.251	47%	0.465	S	S	.	.	H	α-helix	trans	-60.3	-32.6	-180	-64.6	171.4	0	0	0	113.1	M47 I151 C156	M47-L154 HydrophobicContact CB-CD1 4.14Å; M47-L154 HydrophobicContact CE-CD1 3.72Å; M47-L154 HydrophobicContact CG-CD1 3.6Å; M47-L154 HydrophobicContact SD-CD1 4.38Å; I151-L154 PolarHBondContact O-N 2.91Å; L154-C156 VanDerWaalsContact C-N 3.34Å
155	L	68.9	Low	55.8	Low	18 Å²	18	86.4 Å²	86.4	9%	0.094	49%	0.485	C	S	.	.	H	α-helix	trans	-70.7	-29.3	173.6	-70.6	167.7	0	0	0	112.9	L45 L136 L139 A140 I151 L152 K153	L45-L155 HydrophobicContact CD1-CD2 3.64Å; L45-L155 HydrophobicContact CD1-CG 4.45Å; L45-L155 HydrophobicContact CD2-CD2 4.2Å; L136-L155 HydrophobicContact CD2-CD2 3.93Å; L139-L155 HydrophobicContact CD2-CD1 4.19Å; L139-L155 HydrophobicContact CD2-CD2 4.17Å; A140-L155 HydrophobicContact CB-CD1 3.92Å; I151-L155 HydrophobicContact CG2-CD1 3.95Å; I151-L155 WeakPolarHBondContact O-CG 3.39Å; I151-L155 PolarHBondContact O-N 3.15Å; L152-L155 PolarHBondContact O-N 3.35Å; K153-L155 PolarHBondContact O-N 3.28Å
156	C	66.1	Low	53.8	Low	73 Å²	73	84.3 Å²	84.3	49%	0.493	50%	0.497	S	S	.	.	H	α-helix	trans	-99.4	-24.6	-175.3	-70.7	0	0	0	0	116.2	L152 K153 L154 D158 G159	L152-C156 WeakPolarHBondContact O-CB 3.22Å; L152-C156 PolarHBondContact O-N 3.37Å; L152-C156 PolarHBondContact O-SG 2.93Å; L152-C156 VanDerWaalsContact O-SG 3.41Å; K153-C156 CarbonylContact O-C 3.23Å; K153-C156 WeakPolarHBondContact O-CA 3.29Å; K153-C156 PolarHBondContact O-N 2.88Å; L154-C156 VanDerWaalsContact C-N 3.34Å; C156-D158 PolarHBondContact O-N 3.28Å; C156-G159 PolarHBondContact O-N 2.89Å
157	E	56.7	Low	51.9	Low	146 Å²	146	93.9 Å²	93.9	68%	0.682	54%	0.542	S	S	*	.	H	α-helix	trans	-66.4	-38.8	-172	-60.8	-128.9	113	0	0	112.6	K153 G159	K153-E157 HydrophobicContact CB-CG 4.46Å; K153-E157 WeakPolarHBondContact O-CG 3.49Å; K153-E157 PolarHBondContact O-N 2.86Å; E157-G159 PolarHBondContact O-N 2.66Å
158	D	50	Low	50.1	Low	102 Å²	102	98.2 Å²	98.2	55%	0.545	56%	0.561	S	S	.	*	G	3₁₀ helix	trans	-67.2	-21.4	178.1	-59.7	-34.1	0	0	0	113.2	R43 C156 K160 A161	R43-D158 IonicContact CZ-OD2 3.16Å; R43-D158 IonicContact NE-OD2 3.75Å; R43-D158 IonicContact NH2-OD2 2.74Å; R43-D158 PolarHBondContact NH2-OD2 3.04Å; C156-D158 PolarHBondContact O-N 3.28Å; D158-K160 PolarHBondContact O-N 2.78Å; D158-A161 PolarHBondContact O-N 3.17Å
159	G	44.4	Very low	47.9	Very low	65 Å²	65	107.6 Å²	107.6	67%	0.67	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-69	8	-175.4	0	0	0	0	0	115.5	C156 E157	C156-G159 PolarHBondContact O-N 2.89Å; E157-G159 PolarHBondContact O-N 2.66Å
160	K	36.3	Very low	45.8	Very low	190 Å²	190	110.5 Å²	110.5	83%	0.826	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-115.1	1.4	178.7	-73.3	-174.8	173.1	-178.5	0	114.3	D158 T162	D158-K160 PolarHBondContact O-N 2.78Å; K160-T162 PolarHBondContact O-N 3.43Å
161	A	34.8	Very low	43.8	Very low	87 Å²	87	111.5 Å²	111.5	72%	0.719	62%	0.619	S	S	*	*	S	Bend	trans	-82.7	-4.8	-175.8	0	0	0	0	0	114.9	D158	D158-A161 PolarHBondContact O-N 3.17Å
162	T	36.6	Very low	41.6	Very low	126 Å²	126	119.2 Å²	119.2	77%	0.773	66%	0.655	S	S	*	*	S	Bend	trans	-142.3	68.6	-168.9	57.1	0	0	0	0	114.6	K160	K160-T162 PolarHBondContact O-N 3.43Å
163	S	28.3	Very low	39.5	Very low	119 Å²	119	124.9 Å²	124.9	83%	0.832	68%	0.684	S	S	*	*			trans	-163	91.6	156.6	63.6	0	0	0	0	113.8
164	S	28.1	Very low	37.1	Very low	120 Å²	120	128.7 Å²	128.7	84%	0.839	70%	0.703	S	S	*	*			trans	-142.3	103.2	151.8	57	0	0	0	0	107.2
165	Q	30.6	Very low	35	Very low	203 Å²	203	134 Å²	134	95%	0.949	73%	0.73	S	S	*	*			trans	-67.2	147.9	177.6	-68.2	176.2	-82.9	0	0	109.8
166	G	25.9	Very low	33.9	Very low	77 Å²	77	138.7 Å²	138.7	79%	0.794	76%	0.762	S	S	*	*			trans	-88	166	174.1	0	0	0	0	0	112.3
167	E	26.3	Very low	31.9	Very low	202 Å²	202	139.9 Å²	139.9	94%	0.944	77%	0.771	S	S	*	*			trans	-126.2	164	158.2	-104.6	-175.2	118.7	0	0	109.6
168	M	27.5	Very low	30.4	Very low	172 Å²	172	137.7 Å²	137.7	85%	0.847	77%	0.77	S	S	*	*			trans	-95.3	143.9	-165.7	-50.2	179	-62.8	0	0	111.7
169	R	26.8	Very low	29.1	Very low	203 Å²	203	139.9 Å²	139.9	77%	0.766	78%	0.782	S	S	*	*				179.9	157.3	105.9	-103.6	176.5	139.8	151.3	-4.6	116.2
170	E	23.2	Very low	28.3	Very low	150 Å²	150	140.8 Å²	140.8	70%	0.701	78%	0.783	S	S	*	*			trans	53.5	123.5	152.9	-84.6	112.1	-137.9	0	0	121.9
171	T	23.9	Very low	27.9	Very low	112 Å²	112	137.1 Å²	137.1	69%	0.687	79%	0.788	S	S	*	*			trans	-77	156.8	170.6	39.1	0	0	0	0	113.8
172	E	25.2	Very low	27.5	Very low	168 Å²	168	136.3 Å²	136.3	79%	0.785	79%	0.789	S	S	*	*			trans	68.6	146.2	146.2	-71	170.6	-162	0	0	117.4
173	I	26.2	Very low	27	Very low	136 Å²	136	135.6 Å²	135.6	70%	0.697	80%	0.795	S	S	*	*			cis	-147.2	147.1	-3.2	-105.1	153.2	0	0	0	105.3
174	E	22.3	Very low	27	Very low	186 Å²	186	132.9 Å²	132.9	87%	0.869	79%	0.786	S	S	*	*				-163.1	143	103.8	-92.2	-171.9	175	0	0	114.2
175	I	27.8	Very low	27.1	Very low	158 Å²	158	134.8 Å²	134.8	81%	0.81	78%	0.784	S	S	*	*			trans	-145.3	147.3	179.2	-74.6	174	0	0	0	102.6
176	P	44.4	Very low	26.9	Very low	118 Å²	118	132.9 Å²	132.9	77%	0.766	78%	0.775	S	S	*	*			cis	-130.5	179.6	36.3	8.4	21.4	0	0	0	114.7
177	S	24.6	Very low	26.9	Very low	98 Å²	98	133.9 Å²	133.9	69%	0.685	77%	0.765	S	S	*	*				-173	142.8	69.6	-158.9	0	0	0	0	116.2
178	C	25.4	Very low	26.9	Very low	99 Å²	99	132.4 Å²	132.4	67%	0.669	76%	0.759	S	S	*	*			trans	37.6	147.1	143.9	73.5	0	0	0	0	121.7
179	D	23.5	Very low	26.7	Very low	148 Å²	148	128 Å²	128	79%	0.791	75%	0.745	S	S	*	*			cis	-144.1	138.2	-11	-95.1	-33.7	0	0	0	106.2
180	A	27.7	Very low	26.7	Very low	85 Å²	85	124.4 Å²	124.4	70%	0.702	75%	0.745	S	S	*	*				89.8	136	54.4	0	0	0	0	0	113.9
181	A	27	Very low	26.7	Very low	112 Å²	112	124 Å²	124	93%	0.926	75%	0.747	S	S	*	*			trans	63.4	140.3	176.6	0	0	0	0	0	119
182	G	25.6	Very low	26.7	Very low	71 Å²	71	124.7 Å²	124.7	73%	0.732	75%	0.747	S	S	*	*			cis	159.5	155.7	-12.4	0	0	0	0	0	115.4
183	A	27.2	Very low	26.7	Very low	110 Å²	110	121.3 Å²	121.3	91%	0.909	74%	0.742	S	S	*	*			trans	60.1	148.5	162.8	0	0	0	0	0	119.1
184	G	27.1	Very low	26.6	Very low	62 Å²	62	123.7 Å²	123.7	64%	0.639	75%	0.747	S	S	*	*			cis	162.1	156.7	-14	0	0	0	0	0	114.5
185	M	30.3	Very low	26.8	Very low	161 Å²	161	122.4 Å²	122.4	79%	0.793	74%	0.744	S	S	*	*			trans	66.2	158.8	148.1	-52.7	170.6	60.1	0	0	115.6
186	E	27.2	Very low	26.6	Very low	163 Å²	163	119.3 Å²	119.3	76%	0.762	74%	0.737	S	S	*	*			cis	-138.7	176.1	10.3	-87.4	-161.2	133.7	0	0	110.1
187	V	26.3	Very low	25.8	Very low	97 Å²	97	120.7 Å²	120.7	59%	0.588	74%	0.737	S	S	*	*			cis	-176.2	171	-46.1	124.6	0	0	0	0	107
188	Q	26	Very low	25.9	Very low	172 Å²	172	125.6 Å²	125.6	80%	0.804	75%	0.749	S	S	*	*			trans	69.2	156.5	171.3	-78.3	166	59.2	0	0	118.2
189	S	24	Very low	25.8	Very low	79 Å²	79	128.4 Å²	128.4	55%	0.552	75%	0.752	S	S	*	*			cis	-173.7	172.7	-33	59	0	0	0	0	110.2
190	T	25.2	Very low	25.8	Very low	127 Å²	127	133.3 Å²	133.3	78%	0.779	76%	0.76	S	S	*	*			trans	66.3	161.2	164.4	67.7	0	0	0	0	117.9
191	L	24.7	Very low	25.7	Very low	141 Å²	141	135 Å²	135	74%	0.738	76%	0.761	S	S	*	*				-168.5	156.4	-54.8	-111.3	170.2	0	0	0	107.1
192	N	23.5	Very low	25.5	Very low	127 Å²	127	133.6 Å²	133.6	68%	0.679	75%	0.749	S	S	*	*			trans	53.8	103	154.3	-72.8	-29.7	0	0	0	121.8
193	S	24.3	Very low	25.3	Very low	98 Å²	98	139 Å²	139	69%	0.685	76%	0.755	S	S	*	*				61.6	137.9	100.1	-59.4	0	0	0	0	123.4
194	K	25.1	Very low	25.2	Very low	185 Å²	185	138.4 Å²	138.4	80%	0.804	74%	0.744	S	S	*	*			trans	87.2	145	139.5	-85.3	176.3	179.3	178.5	0	121.4
195	I	26.2	Very low	25	Very low	159 Å²	159	142 Å²	142	82%	0.815	75%	0.754	S	S	*	*			trans	75.2	142.6	148	-74.7	161.8	0	0	0	117.6
196	S	22.6	Very low	24.8	Very low	93 Å²	93	141.7 Å²	141.7	65%	0.65	76%	0.756	S	S	*	*			cis	-165.6	174.5	-26.9	-162.5	0	0	0	0	111.4
197	L	27.4	Very low	25.1	Very low	147 Å²	147	139.8 Å²	139.8	77%	0.77	76%	0.757	S	S	*	*			trans	-20.3	151.9	161.5	-61.2	162.7	0	0	0	118
198	Q	26.9	Very low	24.9	Very low	202 Å²	202	139.4 Å²	139.4	94%	0.944	76%	0.764	S	S	*	*				-145.4	148.4	126.7	-129.6	167.3	76.1	0	0	113.8
199	H	24.7	Very low	24.9	Very low	158 Å²	158	137.3 Å²	137.3	73%	0.731	77%	0.769	S	S	*	*			trans	-119.2	144.4	-170.5	-147.7	-115.1	0	0	0	108.2
200	R	23.5	Very low	24.9	Very low	251 Å²	251	137.4 Å²	137.4	95%	0.947	78%	0.782	S	S	*	*			trans	-167.5	168.5	142.6	-113.5	167.6	178.6	157.8	0.9	114.2
201	V	24.3	Very low	24.9	Very low	121 Å²	121	143 Å²	143	73%	0.733	79%	0.789	S	S	*	*			trans	-140.8	169.5	-161.8	176.9	0	0	0	0	107.9
202	A	22.8	Very low	24.9	Very low	81 Å²	81	143.7 Å²	143.7	67%	0.669	79%	0.788	S	S	*	*			trans	82.4	148.8	171.5	0	0	0	0	0	114.9
203	E	22.4	Very low	25	Very low	186 Å²	186	143.6 Å²	143.6	87%	0.869	79%	0.792	S	S	*	*			cis	-154	-166	-8.3	-131.1	172.7	142.3	0	0	113.2
204	S	24	Very low	25	Very low	96 Å²	96	146.9 Å²	146.9	67%	0.671	79%	0.794	S	S	*	*			trans	-59.9	155.8	-169.9	72.1	0	0	0	0	118
205	T	24.3	Very low	24.9	Very low	138 Å²	138	144.1 Å²	144.1	85%	0.847	79%	0.793	S	S	*	*				-168.4	145.2	127.3	12.6	0	0	0	0	112.3
206	N	25.1	Very low	24.9	Very low	155 Å²	155	142.3 Å²	142.3	83%	0.829	79%	0.793	S	S	*	*			trans	-108	155.4	161.3	-91.3	-41.5	0	0	0	108
207	P	33	Very low	25.2	Very low	123 Å²	123	144 Å²	144	80%	0.799	80%	0.802	S	S	*	*				-147.2	135.7	104.4	35.3	-18.7	0	0	0	116.9
208	A	23.9	Very low	25.2	Very low	88 Å²	88	146.9 Å²	146.9	73%	0.727	81%	0.808	S	S	*	*			trans	39.1	137.7	131.8	0	0	0	0	0	124.5
209	S	25.1	Very low	25	Very low	129 Å²	129	143.3 Å²	143.3	90%	0.902	81%	0.805	S	S	*	*			trans	90.6	147	140.2	82	0	0	0	0	119.9
210	G	24.4	Very low	25	Very low	81 Å²	81	138.9 Å²	138.9	84%	0.835	80%	0.802	S	S	*	*			trans	147.9	62.1	-175.3	0	0	0	0	0	113.8
211	R	25.7	Very low	25.1	Very low	244 Å²	244	134.6 Å²	134.6	92%	0.921	80%	0.797	S	S	*	*			trans	-77.3	141.6	172.1	-78.5	177.1	169.1	172.7	-4.3	110.8
212	E	23.6	Very low	25.2	Very low	155 Å²	155	134.7 Å²	134.7	72%	0.724	80%	0.798	S	S	*	*			trans	-151.4	148.4	136.2	-95.4	-121.9	127.5	0	0	109.3	K214	E212-K214 IonicContact OE1-NZ 2.88Å; E212-K214 IonicContact OE2-NZ 2.87Å; E212-K214 PolarHBondContact OE2-NZ 2.65Å
213	V	25	Very low	25.3	Very low	126 Å²	126	140.9 Å²	140.9	76%	0.764	80%	0.804	S	S	*	*			trans	-129.6	118.7	-176.8	173	0	0	0	0	108.6
214	K	24.9	Very low	25.5	Very low	167 Å²	167	141.6 Å²	141.6	73%	0.726	80%	0.799	S	S	*	*			trans	-129.6	101.1	173	-72.8	-178.4	173.9	133.8	0	111.8	E212	E212-K214 IonicContact OE1-NZ 2.88Å; E212-K214 IonicContact OE2-NZ 2.87Å; E212-K214 PolarHBondContact OE2-NZ 2.65Å
215	T	23.6	Very low	25.8	Very low	127 Å²	127	143.3 Å²	143.3	78%	0.779	81%	0.811	S	S	*	*			trans	-30.2	145.9	169.8	40	0	0	0	0	118.3
216	C	26	Very low	25.8	Very low	121 Å²	121	140.2 Å²	140.2	82%	0.818	80%	0.799	S	S	*	*			trans	-74.5	159.3	158.5	-53.9	0	0	0	0	111.8
217	P	29.5	Very low	25.9	Very low	129 Å²	129	139 Å²	139	84%	0.838	80%	0.801	S	S	*	*			trans	-107.5	167.9	138.8	34.6	-30.2	0	0	0	112
218	K	25.6	Very low	25.5	Very low	206 Å²	206	138.3 Å²	138.3	90%	0.896	80%	0.795	S	S	*	*			trans	-111.8	131.4	-169.6	-59.2	170.4	-177.5	171.6	0	113
219	S	24.5	Very low	25.6	Very low	127 Å²	127	144 Å²	144	89%	0.888	80%	0.798	S	S	*	*			trans	-173	153	146.3	52.8	0	0	0	0	108.8
220	G	23.3	Very low	25.5	Very low	65 Å²	65	148 Å²	148	67%	0.67	80%	0.798	S	S	*	*			cis	147.1	134.7	-5.9	0	0	0	0	0	111.3
221	I	25.2	Very low	25.6	Very low	162 Å²	162	149 Å²	149	83%	0.831	79%	0.789	S	S	*	*			trans	79.6	144.3	165.8	-58.5	166.3	0	0	0	117.5
222	T	27.7	Very low	25.8	Very low	122 Å²	122	143.3 Å²	143.3	75%	0.748	78%	0.783	S	S	*	*			trans	59.8	116.1	174	41.5	0	0	0	0	118.1
223	R	24	Very low	25.9	Very low	211 Å²	211	141.7 Å²	141.7	80%	0.796	79%	0.789	S	S	*	*			cis	86	134.3	47.3	-78.5	-173.1	164	176.5	-2.9	115.3
224	R	27.3	Very low	26.1	Very low	202 Å²	202	144.1 Å²	144.1	76%	0.762	79%	0.789	S	S	*	*			trans	72.6	82.6	157	-67.5	170.1	-177.7	170.5	-0.2	118.3	A226	R224-A226 HydrophobicContact CB-CB 4.04Å; R224-A226 HydrophobicContact CG-CB 4.29Å; R224-A226 PolarHBondContact O-N 2.98Å
225	S	30.5	Very low	26.1	Very low	132 Å²	132	143.7 Å²	143.7	92%	0.923	79%	0.79	S	S	*	*				-61.1	106.8	124.1	40.1	0	0	0	0	109.2
226	A	24.3	Very low	26.2	Very low	73 Å²	73	146.7 Å²	146.7	60%	0.603	79%	0.792	S	S	*	*			trans	-149.8	126.4	176.6	0	0	0	0	0	112.2	R224	R224-A226 HydrophobicContact CB-CB 4.04Å; R224-A226 HydrophobicContact CG-CB 4.29Å; R224-A226 PolarHBondContact O-N 2.98Å
227	C	27.4	Very low	26.1	Very low	130 Å²	130	148.7 Å²	148.7	88%	0.878	79%	0.787	S	S	*	*			trans	-81.9	130.1	174.5	176.3	0	0	0	0	111.5
228	T	25	Very low	25.8	Very low	107 Å²	107	147.7 Å²	147.7	66%	0.656	77%	0.774	S	S	*	*			trans	-163.1	152	158.9	42.4	0	0	0	0	107.3
229	R	25.1	Very low	25.7	Very low	209 Å²	209	145.4 Å²	145.4	79%	0.789	77%	0.772	S	S	*	*			cis	-152.4	164.2	-4.6	-111.8	162	-165.6	171.1	3.3	105.1
230	K	23.7	Very low	25.7	Very low	211 Å²	211	142.6 Å²	142.6	92%	0.917	76%	0.763	S	S	*	*				-134.6	139.8	55.7	-66.8	-177.3	177.1	-178.2	0	112.9
231	T	26.3	Very low	25.7	Very low	104 Å²	104	149.7 Å²	149.7	64%	0.638	78%	0.775	S	S	*	*			trans	-87.5	158.7	170.8	47.6	0	0	0	0	110.6
232	P	30.2	Very low	25.7	Very low	123 Å²	123	152.8 Å²	152.8	80%	0.799	78%	0.778	S	S	*	*			trans	-69.9	165.2	152.3	34.2	-34.4	0	0	0	110.1
233	S	24.3	Very low	25.4	Very low	122 Å²	122	152.8 Å²	152.8	85%	0.853	78%	0.782	S	S	*	*			trans	-141.7	163.6	165.1	-164.1	0	0	0	0	110.6
234	K	30.2	Very low	25.5	Very low	177 Å²	177	150.7 Å²	150.7	77%	0.77	79%	0.785	S	S	*	*			trans	-128.6	151.4	-171.1	-83	-173.9	174.1	-175	0	112.2
235	H	24.3	Very low	25.2	Very low	158 Å²	158	146 Å²	146	73%	0.731	78%	0.782	S	S	*	*			trans	69.6	111.3	144.2	-71.6	10.9	0	0	0	121.1
236	K	25	Very low	24.7	Very low	189 Å²	189	144.7 Å²	144.7	82%	0.822	77%	0.773	S	S	*	*				71.4	137.7	105.3	-152.3	-177.7	-176.4	-178.9	0	120.4
237	K	25	Very low	25.2	Very low	164 Å²	164	146.6 Å²	146.6	71%	0.713	78%	0.78	S	S	*	*			trans	73.3	146.5	172.7	-81.7	-175.4	155.3	-77	0	115.8
238	D	23.2	Very low	25.1	Very low	107 Å²	107	146.6 Å²	146.6	57%	0.572	78%	0.776	S	S	*	*			cis	-142.5	-178.9	2.7	-124.8	-26.3	0	0	0	113.2
239	N	23.2	Very low	25	Very low	158 Å²	158	149 Å²	149	85%	0.845	78%	0.78	S	S	*	*			trans	-33	149.4	177.5	-61.7	-23.2	0	0	0	116.6
240	G	23.8	Very low	25.1	Very low	68 Å²	68	145.3 Å²	145.3	70%	0.701	77%	0.771	S	S	*	*			cis	140.6	160.3	3.4	0	0	0	0	0	111.3
241	K	24.1	Very low	25.2	Very low	215 Å²	215	142.5 Å²	142.5	94%	0.935	76%	0.761	S	S	*	*			trans	-162	116.9	164.5	-115.8	166.7	-174	-179.7	0	112
242	Y	25.3	Very low	25.1	Very low	227 Å²	227	148.7 Å²	148.7	89%	0.89	77%	0.773	S	S	*	*			trans	-87.9	158.2	162.5	-129.3	-105	0	0	0	108.5
243	C	20.8	Very low	24.9	Very low	121 Å²	121	146.1 Å²	146.1	82%	0.818	76%	0.763	S	S	*	*			trans	-82.5	146.4	167.9	-63.2	0	0	0	0	110.4
244	I	25.4	Very low	24.8	Very low	168 Å²	168	149.3 Å²	149.3	86%	0.862	76%	0.764	S	S	*	*			trans	-128.9	148	165.3	-65.3	-178.1	0	0	0	107.6
245	S	22.1	Very low	24.7	Very low	102 Å²	102	146.4 Å²	146.4	71%	0.713	77%	0.766	S	S	*	*			trans	-73.5	155.4	-163.9	-39.7	0	0	0	0	115.4
246	S	20.8	Very low	25.6	Very low	105 Å²	105	145.4 Å²	145.4	73%	0.734	77%	0.773	S	S	*	*			trans	30	141.7	136.2	62.2	0	0	0	0	121
247	P	33.5	Very low	25.5	Very low	114 Å²	114	140.2 Å²	140.2	74%	0.74	77%	0.774	S	S	*	*			cis	-139.7	155.2	38.2	35.2	-15	0	0	0	118.9
248	T	24.9	Very low	25.8	Very low	129 Å²	129	143.6 Å²	143.6	79%	0.791	78%	0.782	S	S	*	*			trans	26	126.7	134	-38.3	0	0	0	0	121.3
249	E	23.9	Very low	27	Very low	159 Å²	159	143.1 Å²	143.1	74%	0.743	79%	0.785	S	S	*	*				-157.1	126.5	124.8	-88.9	-116.1	95.5	0	0	112.3
250	Q	27.3	Very low	27.1	Very low	130 Å²	130	142.1 Å²	142.1	61%	0.607	78%	0.779	S	S	*	*			trans	60.1	112.7	144	-57	-159.6	43.8	0	0	125.7
251	Q	26.2	Very low	27.5	Very low	152 Å²	152	145.5 Å²	145.5	71%	0.71	78%	0.777	S	S	*	*				83.2	125	128.3	-65	-169.6	52.4	0	0	124.7
252	R	24.6	Very low	27.8	Very low	234 Å²	234	141.2 Å²	141.2	88%	0.883	76%	0.76	S	S	*	*			trans	63.3	147.6	145.8	-79.1	-171.2	170.9	-145	-3.4	120.2
253	A	25.5	Very low	28	Very low	70 Å²	70	138.8 Å²	138.8	58%	0.579	75%	0.754	S	S	*	*			cis	-159.1	161	-7.2	0	0	0	0	0	113.6
254	E	22.7	Very low	28.4	Very low	189 Å²	189	138.6 Å²	138.6	88%	0.883	75%	0.749	S	S	*	*			trans	72	154.5	149.4	-75.7	161.2	-177.1	0	0	123.4
255	S	27	Very low	28.4	Very low	116 Å²	116	137.8 Å²	137.8	81%	0.811	75%	0.746	S	S	*	*			trans	-144.4	165.4	-172.5	-45.8	0	0	0	0	109.4
256	P	43.3	Very low	28.6	Very low	137 Å²	137	135.4 Å²	135.4	89%	0.89	74%	0.738	S	S	*	*				-144.9	-174.7	76.8	32.7	-10.3	0	0	0	113.5
257	G	23.7	Very low	28.9	Very low	80 Å²	80	137.8 Å²	137.8	83%	0.825	74%	0.741	S	S	*	*			cis	-166.8	-164.8	7.5	0	0	0	0	0	114.1
258	R	29.9	Very low	28.7	Very low	234 Å²	234	139.9 Å²	139.9	88%	0.883	75%	0.745	S	S	*	*			trans	-120.9	-173.7	-168.6	-98.8	-171.5	-179.4	-134	6.5	112.4
259	P	48.3	Very low	28.7	Very low	98 Å²	98	142 Å²	142	64%	0.636	75%	0.746	S	S	*	*			cis	-116.8	-148.3	4.7	23.3	3.9	0	0	0	112.5
260	D	25.1	Very low	28.9	Very low	136 Å²	136	140.1 Å²	140.1	73%	0.727	75%	0.745	S	S	*	*			cis	-144.9	168.5	12.4	-78.3	-68.8	0	0	0	109.3
261	E	32.8	Very low	28.8	Very low	139 Å²	139	140 Å²	140	65%	0.65	75%	0.748	S	S	*	*			cis	86.8	135	24.5	-64.1	-66.6	88.1	0	0	116
262	Q	31.1	Very low	28.7	Very low	126 Å²	126	143 Å²	143	59%	0.589	75%	0.753	S	S	*	*			cis	-162.1	160.4	-6.1	-151.5	-170.6	91.3	0	0	112.5
263	K	28.8	Very low	28.9	Very low	176 Å²	176	138.3 Å²	138.3	77%	0.765	75%	0.75	S	S	*	*			trans	68.2	158.5	157.5	-82.4	-179.3	177.8	164.5	0	120.5
264	V	30.1	Very low	28.8	Very low	116 Å²	116	141.3 Å²	141.3	70%	0.703	76%	0.761	S	S	*	*			cis	-172.9	168.2	-22.2	79.3	0	0	0	0	106.8
265	D	25.1	Very low	28.9	Very low	152 Å²	152	140.1 Å²	140.1	81%	0.813	75%	0.753	S	S	*	*			cis	-144.7	-154.5	4.4	-137.4	-42.9	0	0	0	108
266	G	26.1	Very low	28.7	Very low	51 Å²	51	141 Å²	141	53%	0.526	74%	0.744	S	S	.	*			cis	165	176.8	-2.5	0	0	0	0	0	113
267	I	26.4	Very low	27.8	Very low	156 Å²	156	140.5 Å²	140.5	80%	0.8	74%	0.739	S	S	*	*			trans	50.3	98.7	163.6	-53.4	-178.5	0	0	0	117
268	L	29	Very low	28.6	Very low	157 Å²	157	142 Å²	142	82%	0.822	73%	0.734	S	S	*	*				72.5	146.2	80.6	-65.3	165.6	0	0	0	114.4
269	E	25.1	Very low	28.2	Very low	174 Å²	174	140.5 Å²	140.5	81%	0.813	73%	0.734	S	S	*	*			cis	-145.2	176.3	26.5	-159.8	170	-139.5	0	0	114.1
270	V	29.1	Very low	27.2	Very low	119 Å²	119	140 Å²	140	72%	0.721	74%	0.737	S	S	*	*			trans	-143.2	138.4	-175.4	170	0	0	0	0	111.3
271	N	24.5	Very low	27.4	Very low	129 Å²	129	138.4 Å²	138.4	69%	0.69	74%	0.737	S	S	*	*			trans	-170.3	129.1	147	-93.9	-42.9	0	0	0	110.2
272	R	25.2	Very low	27.1	Very low	215 Å²	215	141.5 Å²	141.5	81%	0.811	75%	0.751	S	S	*	*				69.9	111.5	79.5	-73	-170.5	173.3	151	-7.8	113.4
273	V	27.9	Very low	26.8	Very low	134 Å²	134	138.4 Å²	138.4	81%	0.812	75%	0.753	S	S	*	*				94.9	117	58.4	161.4	0	0	0	0	112.7
274	V	24.4	Very low	26.7	Very low	133 Å²	133	138.1 Å²	138.1	81%	0.806	76%	0.76	S	S	*	*			trans	-173.2	132.1	151.1	140.5	0	0	0	0	105.7
275	K	24.5	Very low	26.7	Very low	165 Å²	165	140 Å²	140	72%	0.717	77%	0.766	S	S	*	*				76.2	139.4	51.3	-98.1	-169.1	158	-139.2	0	112.6
276	E	22.6	Very low	26.8	Very low	133 Å²	133	139 Å²	139	62%	0.621	77%	0.765	S	S	*	*			cis	-151.2	143.5	10.5	-56	-164	124.8	0	0	113.7
277	T	23.7	Very low	27.1	Very low	128 Å²	128	144.5 Å²	144.5	79%	0.785	78%	0.779	S	S	*	*			trans	46.9	176.5	136.5	71.2	0	0	0	0	123.2
278	P	40.3	Very low	27.3	Very low	110 Å²	110	145.7 Å²	145.7	71%	0.714	78%	0.782	S	S	*	*			cis	-134.2	172.9	-10.6	34	-13.2	0	0	0	118.5
279	K	23.3	Very low	27.5	Very low	204 Å²	204	146.2 Å²	146.2	89%	0.887	78%	0.78	S	S	*	*			trans	82.3	118.6	145.9	-94.5	-176.6	174.4	-179.2	0	125.5
280	A	27	Very low	27.8	Very low	86 Å²	86	144.7 Å²	144.7	71%	0.711	78%	0.777	S	S	*	*				83.9	95.7	123.7	0	0	0	0	0	125.7
281	S	27.8	Very low	27.7	Very low	104 Å²	104	145.7 Å²	145.7	73%	0.727	78%	0.784	S	S	*	*				53.2	129.1	123.8	61.9	0	0	0	0	126.5
282	H	27.8	Very low	28.2	Very low	203 Å²	203	148.5 Å²	148.5	94%	0.94	79%	0.793	S	S	*	*			trans	61.9	153.8	160.3	-66.1	-33.8	0	0	0	118.1
283	G	25.2	Very low	28.3	Very low	61 Å²	61	146.3 Å²	146.3	63%	0.629	80%	0.797	S	S	*	*			cis	177.7	164.1	-6.4	0	0	0	0	0	113.3
284	D	25.8	Very low	28.3	Very low	170 Å²	170	147.1 Å²	147.1	91%	0.909	80%	0.797	S	S	*	*			trans	66.5	170.6	163.1	-56.6	-9.6	0	0	0	122.4
285	D	29.6	Very low	28.6	Very low	155 Å²	155	148.7 Å²	148.7	83%	0.829	80%	0.795	S	S	*	*			trans	-87	158.9	-161.6	-57.4	-94.6	0	0	0	117.2
286	V	26.9	Very low	28.7	Very low	131 Å²	131	150.4 Å²	150.4	79%	0.794	81%	0.806	S	S	*	*			trans	-144	142.1	149.5	174.3	0	0	0	0	110.1
287	M	33.5	Very low	28.9	Very low	168 Å²	168	151.6 Å²	151.6	83%	0.828	82%	0.817	S	S	*	*			trans	-109.2	159.4	162.4	-53.7	-173.3	-157.4	0	0	109.4
288	E	30.1	Very low	29	Very low	181 Å²	181	149 Å²	149	85%	0.846	82%	0.815	S	S	*	*			trans	-139.4	152.1	156	-79.9	-58	166.8	0	0	110.8
289	E	32.9	Very low	28.3	Very low	168 Å²	168	148.9 Å²	148.9	79%	0.785	82%	0.817	S	S	*	*			trans	-114.6	170.5	-173.4	-69.5	-173.3	132	0	0	113.2
290	D	31.3	Very low	28.4	Very low	141 Å²	141	148 Å²	148	75%	0.754	82%	0.818	S	S	*	*			trans	8.8	142.8	157.8	-57.7	-22.1	0	0	0	123
291	T	26.9	Very low	28.3	Very low	141 Å²	141	148 Å²	148	87%	0.865	83%	0.826	S	S	*	*			trans	-132.8	114.2	141.4	56.6	0	0	0	0	109.5
292	E	36.5	Very low	28.2	Very low	187 Å²	187	147.7 Å²	147.7	87%	0.874	83%	0.83	S	S	*	*			trans	-90.1	150.6	156.1	-63.4	-170	138	0	0	108.5
293	D	26	Very low	28.1	Very low	169 Å²	169	145.2 Å²	145.2	90%	0.904	83%	0.829	S	S	*	*			trans	-154.6	155	169.6	-120	-34.5	0	0	0	110.1
294	D	29.4	Very low	28	Very low	151 Å²	151	147 Å²	147	81%	0.807	83%	0.831	S	S	*	*			trans	-114	-171	-148.3	-135.5	-30.3	0	0	0	116.6
295	E	30.4	Very low	28.2	Very low	166 Å²	166	146.9 Å²	146.9	78%	0.776	83%	0.825	S	S	*	*			trans	-57.5	150	-169	-52.1	-171.5	128.6	0	0	118.2
296	Q	26.7	Very low	28	Very low	202 Å²	202	148.2 Å²	148.2	94%	0.944	82%	0.824	S	S	*	*			trans	-159.1	158.5	130.9	-122.5	146.8	95.1	0	0	116.4
297	D	25.1	Very low	27.9	Very low	158 Å²	158	148.9 Å²	148.9	85%	0.845	82%	0.823	S	S	*	*			trans	-93.3	161.7	-179	179.3	32.8	0	0	0	112.5
298	G	25.9	Very low	27.5	Very low	72 Å²	72	147 Å²	147	74%	0.742	82%	0.815	S	S	*	*			trans	-179.2	125.9	178.1	0	0	0	0	0	113.3
299	S	25.7	Very low	27.3	Very low	108 Å²	108	144.7 Å²	144.7	76%	0.755	82%	0.817	S	S	*	*			trans	-124	162.9	-163.1	-169.6	0	0	0	0	115.3
300	M	26.7	Very low	26.9	Very low	187 Å²	187	145.3 Å²	145.3	92%	0.921	82%	0.82	S	S	*	*			trans	69.9	150.1	169.7	-62.5	-154.4	-70.7	0	0	119.5
301	G	23.9	Very low	26.8	Very low	84 Å²	84	143 Å²	143	87%	0.866	82%	0.821	S	S	*	*			trans	146.2	93.6	169.7	0	0	0	0	0	113.9
302	A	25.8	Very low	26.9	Very low	98 Å²	98	142 Å²	142	81%	0.81	82%	0.82	S	S	*	*			trans	-115.3	147.7	168.2	0	0	0	0	0	110.1
303	V	25.3	Very low	26.3	Very low	152 Å²	152	136 Å²	136	92%	0.921	81%	0.808	S	S	*	*			trans	-176.7	163	147.7	137.5	0	0	0	0	110.5
304	S	24.7	Very low	26.4	Very low	97 Å²	97	134.5 Å²	134.5	68%	0.678	80%	0.8	S	S	*	*			trans	-100	167.8	-165.7	-51	0	0	0	0	115.5
305	Q	28.2	Very low	26.2	Very low	169 Å²	169	133.4 Å²	133.4	79%	0.79	79%	0.794	S	S	*	*			trans	84.6	154.2	140.9	-87.5	-178.2	30.6	0	0	122.3
306	K	26.2	Very low	26	Very low	182 Å²	182	136.3 Å²	136.3	79%	0.791	80%	0.798	S	S	*	*			trans	79	82.5	158	-73.8	171.8	-174.7	-178.1	0	120.8
307	N	24.5	Very low	26.1	Very low	145 Å²	145	131.4 Å²	131.4	78%	0.775	79%	0.792	S	S	*	*				32.8	139.7	107.4	-94.4	24.5	0	0	0	122.4
308	I	25.8	Very low	26.1	Very low	128 Å²	128	128.5 Å²	128.5	66%	0.656	79%	0.79	S	S	*	*			trans	80.4	124	144.4	-63.2	160	0	0	0	118.6	E310	I308-E310 HydrophobicContact CG2-CG 3.83Å
309	C	25.1	Very low	26.3	Very low	133 Å²	133	132.3 Å²	132.3	90%	0.899	79%	0.792	S	S	*	*			trans	-127.9	144	136.2	-70.4	0	0	0	0	109
310	E	24.7	Very low	26.3	Very low	181 Å²	181	134.4 Å²	134.4	85%	0.846	79%	0.79	S	S	*	*			trans	-98.3	-171.7	174.1	-50.8	172.9	125.3	0	0	108.3	I308	I308-E310 HydrophobicContact CG2-CG 3.83Å
311	A	28.4	Very low	26.2	Very low	93 Å²	93	133.8 Å²	133.8	77%	0.769	79%	0.785	S	S	*	*			cis	-147.7	-162.6	-0.6	0	0	0	0	0	106.7
312	S	29.6	Very low	26.3	Very low	121 Å²	121	133.2 Å²	133.2	85%	0.846	78%	0.779	S	S	*	*			cis	-157.9	-163.8	-1.8	-167.2	0	0	0	0	107.2
313	G	25.1	Very low	26.3	Very low	61 Å²	61	133.3 Å²	133.3	63%	0.629	77%	0.774	S	S	*	*			trans	150.1	53.5	158.4	0	0	0	0	0	120.9
314	N	26.3	Very low	26.4	Very low	137 Å²	137	134.1 Å²	134.1	73%	0.733	77%	0.767	S	S	*	*			trans	67.4	126.7	146.1	-72.1	59.7	0	0	0	124.2
315	D	25.3	Very low	26.4	Very low	128 Å²	128	135 Å²	135	68%	0.684	77%	0.768	S	S	*	*				82.6	98.2	128.7	-64.8	-36.6	0	0	0	125.4
316	R	27.1	Very low	26.3	Very low	226 Å²	226	132.6 Å²	132.6	85%	0.853	76%	0.761	S	S	*	*				87.2	87.5	103.7	-158.6	171.6	-171.3	159.2	1.6	122.4
317	A	29	Very low	26.3	Very low	99 Å²	99	131.3 Å²	131.3	82%	0.818	76%	0.756	S	S	*	*				54	127.3	121.8	0	0	0	0	0	124
318	A	25.7	Very low	26.4	Very low	97 Å²	97	131.6 Å²	131.6	80%	0.802	75%	0.754	S	S	*	*			trans	165.4	159.9	137.2	0	0	0	0	0	110.4
319	L	28.5	Very low	26.3	Very low	152 Å²	152	134 Å²	134	80%	0.796	76%	0.762	S	S	*	*				-165.9	168.6	-50.7	-112.7	177	0	0	0	107.3
320	E	26.2	Very low	26.3	Very low	153 Å²	153	132 Å²	132	72%	0.715	76%	0.756	S	S	*	*			trans	59.6	148.5	175.5	-44.3	-49.9	73	0	0	117.6
321	E	24.4	Very low	27.1	Very low	174 Å²	174	128.7 Å²	128.7	81%	0.813	75%	0.75	S	S	*	*			cis	-143.8	153.1	-29.5	-103.1	-159	127.7	0	0	105.4
322	G	25.8	Very low	26.9	Very low	71 Å²	71	130.2 Å²	130.2	73%	0.732	76%	0.755	S	S	*	*				81.7	131.8	79.3	0	0	0	0	0	112.4
323	S	25.3	Very low	26.7	Very low	100 Å²	100	127.7 Å²	127.7	70%	0.699	75%	0.748	S	S	*	*			cis	-166.6	166.4	-9.3	64.7	0	0	0	0	110.7
324	H	27.5	Very low	26.8	Very low	169 Å²	169	133.6 Å²	133.6	78%	0.782	76%	0.759	S	S	*	*			trans	60.4	157.4	159.5	-71.3	-66.8	0	0	0	119.6
325	T	26.5	Very low	26.7	Very low	115 Å²	115	132 Å²	132	71%	0.706	75%	0.751	S	S	*	*			cis	-146.7	132.3	-5.1	1.2	0	0	0	0	111.1
326	D	25.2	Very low	26.9	Very low	120 Å²	120	136.5 Å²	136.5	64%	0.642	76%	0.758	S	S	*	*				44.7	145.1	125	-119.7	-17.7	0	0	0	125.6
327	K	26.2	Very low	26.8	Very low	155 Å²	155	135 Å²	135	67%	0.674	76%	0.761	S	S	*	*			trans	70.6	100.5	146.6	-79.6	148.4	-167.6	152.3	0	124.2
328	M	26.2	Very low	27	Very low	150 Å²	150	136.2 Å²	136.2	74%	0.739	76%	0.758	S	S	*	*				63.8	129.5	102.6	-72.4	178.9	76.1	0	0	123.2
329	E	24.2	Very low	26.9	Very low	178 Å²	178	140 Å²	140	83%	0.832	76%	0.758	S	S	*	*			trans	80.6	168	146.3	-67.5	-171.8	128.8	0	0	121.1
330	A	25.9	Very low	27	Very low	92 Å²	92	140.4 Å²	140.4	76%	0.76	76%	0.758	S	S	*	*			trans	-130.4	-159	-158.6	0	0	0	0	0	108.8
331	P	39.7	Very low	27.4	Very low	112 Å²	112	138.3 Å²	138.3	73%	0.727	76%	0.758	S	S	*	*			cis	-137.5	-165.6	-0.9	43.9	-24.8	0	0	0	115
332	S	24.3	Very low	27.9	Very low	125 Å²	125	135.8 Å²	135.8	87%	0.874	76%	0.757	S	S	*	*			trans	69.8	157.1	167.7	77.1	0	0	0	0	117.4
333	G	25.7	Very low	28.4	Very low	68 Å²	68	140 Å²	140	70%	0.701	76%	0.761	S	S	*	*			cis	-179.1	152	-8.9	0	0	0	0	0	114.4
334	Q	26.9	Very low	28.3	Very low	184 Å²	184	139.9 Å²	139.9	86%	0.86	77%	0.766	S	S	*	*			trans	67.4	136.1	161.7	-73	-177.5	-75.1	0	0	124
335	D	25.9	Very low	28.5	Very low	104 Å²	104	137.4 Å²	137.4	56%	0.556	77%	0.768	S	S	*	*			trans	57.5	120.3	146.2	-74.1	-75.2	0	0	0	125.3
336	R	28.4	Very low	28.6	Very low	222 Å²	222	137.8 Å²	137.8	84%	0.838	77%	0.77	S	S	*	*				36.5	130.1	128.6	-64.3	173.4	167.3	151.2	-11.1	118.8
337	E	24.6	Very low	29.3	Very low	194 Å²	194	140.1 Å²	140.1	91%	0.907	78%	0.782	S	S	*	*				-153.4	-161.6	60	-137.5	-176.3	154.3	0	0	114.9
338	V	33.1	Very low	29.6	Very low	126 Å²	126	141.2 Å²	141.2	76%	0.764	79%	0.79	S	S	*	*			trans	-112.4	129.1	-167.7	176	0	0	0	0	112.6
339	H	24.6	Very low	29.9	Very low	175 Å²	175	139.2 Å²	139.2	81%	0.81	79%	0.791	S	S	*	*			trans	-150.2	145	153.4	-113.7	66.2	0	0	0	113.8
340	M	29.6	Very low	30.6	Very low	162 Å²	162	135 Å²	135	80%	0.798	78%	0.779	S	S	*	*			trans	-123.3	141.9	158	-68.7	-93.3	79.8	0	0	104.7
341	P	34.7	Very low	31.1	Very low	109 Å²	109	139.7 Å²	139.7	71%	0.708	79%	0.785	S	S	*	*				-149.4	-152.9	69.1	44.6	-24.6	0	0	0	110.7
342	P	34.7	Very low	31.6	Very low	120 Å²	120	138.2 Å²	138.2	78%	0.779	77%	0.765	S	S	*	*			cis	-122.8	-175.9	-15.8	40.3	-25	0	0	0	113.8
343	I	36.3	Very low	32.9	Very low	161 Å²	161	135.9 Å²	135.9	83%	0.826	75%	0.748	S	S	*	*			trans	-89	130.9	173.7	-62.4	166.1	0	0	0	109.7
344	A	24.8	Very low	33.7	Very low	97 Å²	97	141.8 Å²	141.8	80%	0.802	76%	0.757	S	S	*	*			trans	-126	140.1	159.5	0	0	0	0	0	109.1
345	S	31.7	Very low	35	Very low	117 Å²	117	135.8 Å²	135.8	82%	0.818	74%	0.744	S	S	*	*			trans	-96.3	123.4	-170.5	-61.2	0	0	0	0	112.3
346	T	28.7	Very low	36.4	Very low	123 Å²	123	131 Å²	131	76%	0.755	72%	0.719	S	S	*	*			trans	-122	125.2	164	-51.1	0	0	0	0	109.1	Q348	T346-Q348 PolarHBondContact O-N 2.8Å
347	N	38.9	Very low	37.6	Very low	169 Å²	169	123.5 Å²	123.5	90%	0.904	70%	0.704	S	S	*	*			trans	-75.8	116.6	175.3	-77.3	-49.9	0	0	0	109.9
348	Q	32.2	Very low	39	Very low	177 Å²	177	115.3 Å²	115.3	83%	0.827	67%	0.668	S	S	*	*			trans	-123.8	130.6	159.5	-72.1	-177.3	-11.5	0	0	108.7	T346	T346-Q348 PolarHBondContact O-N 2.8Å
349	S	32	Very low	40.3	Very low	109 Å²	109	113 Å²	113	76%	0.762	65%	0.653	S	S	*	*			trans	-72.4	140.3	175.6	-64.9	0	0	0	0	109.4	E351	S349-E351 PolarHBondContact O-N 3.37Å; S349-E351 VanDerWaalsContact O-N 3.12Å
350	P	40.8	Very low	41.9	Very low	90 Å²	90	109.6 Å²	109.6	58%	0.584	64%	0.64	S	S	*	*			trans	-66.2	114.8	174.8	-17.7	30.9	0	0	0	110.2	Y352	P350-Y352 HydrophobicContact CB-CE2 4.35Å; P350-Y352 VanDerWaalsContact O-CD2 3.3Å; P350-Y352 WeakPolarHBondContact O-CD2 3.2Å; P350-Y352 VanDerWaalsContact O-CE2 3.3Å; P350-Y352 WeakPolarHBondContact O-CE2 3.32Å
351	E	35.7	Very low	43.3	Very low	189 Å²	189	105.1 Å²	105.1	88%	0.883	62%	0.619	S	S	*	*			trans	-66.6	138.5	166	-65.7	-176.3	133.1	0	0	109.3	S349	S349-E351 PolarHBondContact O-N 3.37Å; S349-E351 VanDerWaalsContact O-N 3.12Å
352	Y	49.6	Very low	44	Very low	81 Å²	81	106.4 Å²	106.4	32%	0.318	62%	0.615	S	S	.	*			trans	-116	132.4	179.3	-66.6	-75.6	0	0	0	108.9	P350 P358 Y384	P350-Y352 HydrophobicContact CB-CE2 4.35Å; P350-Y352 VanDerWaalsContact O-CD2 3.3Å; P350-Y352 WeakPolarHBondContact O-CD2 3.2Å; P350-Y352 VanDerWaalsContact O-CE2 3.3Å; P350-Y352 WeakPolarHBondContact O-CE2 3.32Å; Y352-P358 HydrophobicContact CE2-CG 3.96Å; Y352-Y384 HydrophobicContact CE1-CD1 4.41Å; Y352-Y384 HydrophobicContact CE1-CE1 4.41Å
353	P	52.1	Low	44.7	Very low	77 Å²	77	104.9 Å²	104.9	50%	0.5	60%	0.604	S	S	.	*			trans	-53	147.4	173.6	-27.5	35.2	0	0	0	112.4	L356	P353-L356 WeakPolarHBondContact O-CB 3.29Å; P353-L356 PolarHBondContact O-N 3.31Å; P353-L356 VanDerWaalsContact O-N 3.11Å
354	E	42.1	Very low	45.3	Very low	192 Å²	192	103.4 Å²	103.4	90%	0.897	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.5	138.9	-168.1	-65.2	-167.6	116.5	0	0	113.8	L356	E354-L356 PolarHBondContact O-N 3.34Å
355	G	54.6	Low	46.8	Very low	57 Å²	57	103.5 Å²	103.5	59%	0.588	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.6	13.6	-177.6	0	0	0	0	0	115.5	K373	G355-K373 VanDerWaalsContact O-CE 3.29Å; G355-K373 WeakPolarHBondContact O-CE 3.44Å
356	L	55.4	Low	47.9	Very low	5 Å²	5	105.2 Å²	105.2	3%	0.026	60%	0.595	C	S	.	*			trans	-120.8	13.3	175.6	-68	173.8	0	0	0	114.6	P353 E354 K373 Y384 T388 H391 T392	P353-L356 WeakPolarHBondContact O-CB 3.29Å; P353-L356 PolarHBondContact O-N 3.31Å; P353-L356 VanDerWaalsContact O-N 3.11Å; E354-L356 PolarHBondContact O-N 3.34Å; L356-K373 HydrophobicContact CD2-CD 3.69Å; L356-K373 HydrophobicContact CD2-CG 4.12Å; L356-Y384 PolarHBondContact O-OH 2.93Å; L356-T388 HydrophobicContact CB-CG2 4.14Å; L356-T388 HydrophobicContact CD1-CG2 4.47Å; L356-H391 HydrophobicContact CD2-CB 4.08Å; L356-T392 HydrophobicContact CD1-CG2 3.6Å
357	A	52.9	Low	49.5	Very low	64 Å²	64	106.4 Å²	106.4	53%	0.529	59%	0.59	S	S	.	*			trans	-55.1	133.3	172.6	0	0	0	0	0	111.9	Y384	A357-Y384 PolarHBondContact O-OH 2.75Å
358	P	54.7	Low	50.8	Low	22 Å²	22	99.9 Å²	99.9	14%	0.143	56%	0.556	C	S	.	*			trans	-72.8	128.3	-177.8	26.8	-32.9	0	0	0	112.4	Y352 I360 L369 Y384	Y352-P358 HydrophobicContact CE2-CG 3.96Å; P358-I360 PolarHBondContact O-N 2.94Å; P358-I360 VanDerWaalsContact O-N 3.12Å; P358-L369 HydrophobicContact CB-CB 4Å; P358-L369 HydrophobicContact CB-CD2 4.03Å; P358-L369 HydrophobicContact CB-CG 4.42Å; P358-L369 HydrophobicContact CG-CD2 4.38Å; P358-Y384 WeakPolarHBondContact CA-OH 3.27Å; P358-Y384 HydrophobicContact CB-CD1 4.24Å; P358-Y384 HydrophobicContact CB-CD2 4.25Å; P358-Y384 HydrophobicContact CB-CE1 3.79Å; P358-Y384 HydrophobicContact CB-CE2 3.77Å; P358-Y384 HydrophobicContact CB-CG 4.48Å; P358-Y384 HydrophobicContact CG-CE1 4.27Å
359	V	60.8	Low	52.7	Low	76 Å²	76	92.5 Å²	92.5	46%	0.461	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	104.7	168	177.4	0	0	0	0	108.1	I361 K370	V359-I361 HydrophobicContact CG1-CG1 4.5Å; V359-I361 PolarHBondContact O-N 3.33Å; V359-K370 HydrophobicContact CB-CB 4.19Å; V359-K370 PolarHBondContact N-O 3.22Å; V359-K370 WeakPolarHBondContact O-CB 3.36Å; V359-K370 PolarHBondContact O-N 2.93Å
360	I	58.2	Low	54.3	Low	104 Å²	104	89.9 Å²	89.9	53%	0.533	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	114.2	-176.3	-52.5	-178.8	0	0	0	109.8	P358 T368 L369	P358-I360 PolarHBondContact O-N 2.94Å; P358-I360 VanDerWaalsContact O-N 3.12Å; I360-T368 WeakPolarHBondContact CA-O 3.45Å; I360-L369 HydrophobicContact CG1-CD2 3.93Å
361	I	59.1	Low	55.6	Low	68 Å²	68	85.6 Å²	85.6	35%	0.349	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	116.7	173.1	-58.2	175.9	0	0	0	108.2	V359 T363 T368 K370	V359-I361 HydrophobicContact CG1-CG1 4.5Å; V359-I361 PolarHBondContact O-N 3.33Å; I361-T363 HydrophobicContact CG2-CG2 4.35Å; I361-T368 PolarHBondContact N-O 3.11Å; I361-T368 PolarHBondContact O-N 2.62Å; I361-T368 PolarHBondContact O-OG1 3.22Å; I361-K370 HydrophobicContact CD1-CB 4.01Å; I361-K370 HydrophobicContact CD1-CD 3.88Å
362	Q	47.6	Very low	56.8	Low	136 Å²	136	79.6 Å²	79.6	64%	0.636	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.6	96.8	-177.1	-179.5	165.4	-56.3	0	0	111
363	T	49.6	Very low	57.3	Low	88 Å²	88	81.3 Å²	81.3	54%	0.54	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	91.6	175.1	43.2	0	0	0	0	110.8	I361 S365	I361-T363 HydrophobicContact CG2-CG2 4.35Å; T363-S365 PolarHBondContact O-N 3.4Å
364	S	49.1	Very low	57.7	Low	130 Å²	130	79.7 Å²	79.7	91%	0.909	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.1	-7.4	164.8	63.6	0	0	0	0	121.2
365	S	56.6	Low	58.5	Low	100 Å²	100	76.8 Å²	76.8	70%	0.699	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-157	-14.9	176.6	58.9	0	0	0	0	114.7	T363	T363-S365 PolarHBondContact O-N 3.4Å
366	K	55.6	Low	58.9	Low	152 Å²	152	79.2 Å²	79.2	66%	0.661	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.8	131	-177.4	-63.6	177.1	-175	160.9	0	111.3
367	K	60.9	Low	59.6	Low	148 Å²	148	83.3 Å²	83.3	64%	0.643	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	128.1	167.2	-64.9	-175.2	177.6	-175.3	0	108.6
368	T	67.5	Low	60.5	Low	32 Å²	32	82 Å²	82	20%	0.196	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	141.8	175.6	62.6	0	0	0	0	110.5	I360 I361 F378	I360-T368 WeakPolarHBondContact CA-O 3.45Å; I361-T368 PolarHBondContact N-O 3.11Å; I361-T368 PolarHBondContact O-N 2.62Å; I361-T368 PolarHBondContact O-OG1 3.22Å; T368-F378 WeakPolarHBondContact CA-O 3.46Å
369	L	71.1	Confident	61.1	Low	22 Å²	22	85.5 Å²	85.5	12%	0.115	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	111.2	-173.1	-52.2	177.2	0	0	0	109	P358 I360 T377 F378 A381 Y384	P358-L369 HydrophobicContact CB-CB 4Å; P358-L369 HydrophobicContact CB-CD2 4.03Å; P358-L369 HydrophobicContact CB-CG 4.42Å; P358-L369 HydrophobicContact CG-CD2 4.38Å; I360-L369 HydrophobicContact CG1-CD2 3.93Å; L369-T377 CarbonylContact O-C 3.6Å; L369-T377 WeakPolarHBondContact O-CA 3.47Å; L369-F378 PolarHBondContact N-O 3.03Å; L369-F378 PolarHBondContact O-N 3.14Å; L369-A381 HydrophobicContact CD1-CB 4.22Å; L369-Y384 HydrophobicContact CB-CD2 3.63Å; L369-Y384 HydrophobicContact CB-CE2 4.31Å; L369-Y384 HydrophobicContact CB-CG 4.04Å; L369-Y384 HydrophobicContact CD1-CG 4.12Å
370	K	65.6	Low	61.8	Low	54 Å²	54	90.5 Å²	90.5	24%	0.235	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	127.7	176.4	-176.4	-176.6	176.3	-171.9	0	109.8	V359 I361 E375 K376 T377	V359-K370 HydrophobicContact CB-CB 4.19Å; V359-K370 PolarHBondContact N-O 3.22Å; V359-K370 WeakPolarHBondContact O-CB 3.36Å; V359-K370 PolarHBondContact O-N 2.93Å; I361-K370 HydrophobicContact CD1-CB 4.01Å; I361-K370 HydrophobicContact CD1-CD 3.88Å; K370-E375 VanDerWaalsContact CE-OE1 3.26Å; K370-E375 WeakPolarHBondContact CE-OE1 3.36Å; K370-E375 IonicContact NZ-OE1 3.04Å; K370-E375 PolarHBondContact NZ-OE1 2.84Å; K370-K376 WeakPolarHBondContact CA-O 3.39Å; K370-T377 HydrophobicContact CB-CG2 4.07Å; K370-T377 HydrophobicContact CG-CG2 4.19Å
371	C	69.7	Low	62.1	Low	0 Å²	0	88.1 Å²	88.1	0%	0	46%	0.459	C	S	.	.			trans	-72.9	124.3	173.1	177	0	0	0	0	110.4	K373 E375 K376 F378 Y384 H387	C371-K373 VanDerWaalsContact C-N 3.34Å; C371-K373 PolarHBondContact O-N 2.89Å; C371-E375 VanDerWaalsContact O-CA 3.27Å; C371-E375 WeakPolarHBondContact O-CA 3.31Å; C371-E375 PolarHBondContact O-N 3.05Å; C371-K376 PolarHBondContact N-O 3.36Å; C371-F378 HydrophobicContact CB-CE2 4.47Å; C371-Y384 HydrophobicContact CB-CE2 4.02Å; C371-H387 WeakPolarHBondContact CB-NE2 3.45Å; C371-H387 PolarHBondContact SG-NE2 3.31Å
372	P	60.8	Low	62.4	Low	63 Å²	63	87 Å²	87	41%	0.409	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-36.2	179.3	25.1	-32.5	0	0	0	112.1	C374 Y384	P372-C374 PolarHBondContact O-N 3.36Å; P372-Y384 WeakPolarHBondContact CD-OH 3.32Å
373	K	58.4	Low	63.2	Low	118 Å²	118	84.8 Å²	84.8	51%	0.513	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-8.6	-174.5	-60.9	-168.2	-173.4	177.8	0	115.5	G355 L356 C371 H391	G355-K373 VanDerWaalsContact O-CE 3.29Å; G355-K373 WeakPolarHBondContact O-CE 3.44Å; L356-K373 HydrophobicContact CD2-CD 3.69Å; L356-K373 HydrophobicContact CD2-CG 4.12Å; C371-K373 VanDerWaalsContact C-N 3.34Å; C371-K373 PolarHBondContact O-N 2.89Å; K373-H391 HydrophobicContact CD-CB 4.41Å
374	C	62	Low	64.2	Low	43 Å²	43	80.6 Å²	80.6	29%	0.291	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.9	22.2	172.1	71	0	0	0	0	116.2	P372 K376 H387 H391	P372-C374 PolarHBondContact O-N 3.36Å; C374-K376 PolarHBondContact O-N 2.98Å; C374-K376 VanDerWaalsContact SG-CD 3.57Å; C374-K376 VanDerWaalsContact SG-CE 3.59Å; C374-K376 PolarHBondContact SG-NZ 3.36Å; C374-H387 PolarHBondContact SG-CE1 3.47Å; C374-H387 PolarHBondContact SG-NE2 3.04Å; C374-H391 PolarHBondContact SG-NE2 3.21Å; C374-H391 VanDerWaalsContact SG-NE2 3.37Å
375	E	59.1	Low	64.9	Low	131 Å²	131	78.5 Å²	78.5	61%	0.612	40%	0.403	S	S	*	.			trans	59	0.7	174	-57.1	-151.4	101.9	0	0	118.5	K370 C371 T377	K370-E375 VanDerWaalsContact CE-OE1 3.26Å; K370-E375 WeakPolarHBondContact CE-OE1 3.36Å; K370-E375 IonicContact NZ-OE1 3.04Å; K370-E375 PolarHBondContact NZ-OE1 2.84Å; C371-E375 VanDerWaalsContact O-CA 3.27Å; C371-E375 WeakPolarHBondContact O-CA 3.31Å; C371-E375 PolarHBondContact O-N 3.05Å; E375-T377 PolarHBondContact O-N 3.15Å
376	K	63.2	Low	65.3	Low	107 Å²	107	75.6 Å²	75.6	47%	0.465	38%	0.383	S	S	.	.			trans	-66	129	-179.2	-67.9	168.2	-163.1	141.9	0	110.6	K370 C371 C374 F378	K370-K376 WeakPolarHBondContact CA-O 3.39Å; C371-K376 PolarHBondContact N-O 3.36Å; C374-K376 PolarHBondContact O-N 2.98Å; C374-K376 VanDerWaalsContact SG-CD 3.57Å; C374-K376 VanDerWaalsContact SG-CE 3.59Å; C374-K376 PolarHBondContact SG-NZ 3.36Å; K376-F378 HydrophobicContact CB-CD2 4.44Å; K376-F378 HydrophobicContact CB-CE2 3.43Å; K376-F378 VanDerWaalsContact CB-CE2 3.43Å; K376-F378 HydrophobicContact CB-CZ 3.67Å; K376-F378 HydrophobicContact CD-CZ 4.39Å; K376-F378 WeakPolarHBondContact O-CD2 3.32Å; K376-F378 VanDerWaalsContact O-CE2 3.24Å; K376-F378 WeakPolarHBondContact O-CE2 3.49Å
377	T	68.4	Low	65.9	Low	92 Å²	92	68.9 Å²	68.9	56%	0.564	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	134	177.5	50.8	0	0	0	0	111.3	L369 K370 E375	L369-T377 CarbonylContact O-C 3.6Å; L369-T377 WeakPolarHBondContact O-CA 3.47Å; K370-T377 HydrophobicContact CB-CG2 4.07Å; K370-T377 HydrophobicContact CG-CG2 4.19Å; E375-T377 PolarHBondContact O-N 3.15Å
378	F	73.4	Confident	66	Low	37 Å²	37	62.5 Å²	62.5	16%	0.162	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	138.4	-177.1	-62.8	-87.8	0	0	0	111.8	T368 L369 C371 K376 K383 Y384 H387	T368-F378 WeakPolarHBondContact CA-O 3.46Å; L369-F378 PolarHBondContact N-O 3.03Å; L369-F378 PolarHBondContact O-N 3.14Å; C371-F378 HydrophobicContact CB-CE2 4.47Å; K376-F378 HydrophobicContact CB-CD2 4.44Å; K376-F378 HydrophobicContact CB-CE2 3.43Å; K376-F378 VanDerWaalsContact CB-CE2 3.43Å; K376-F378 HydrophobicContact CB-CZ 3.67Å; K376-F378 HydrophobicContact CD-CZ 4.39Å; K376-F378 WeakPolarHBondContact O-CD2 3.32Å; K376-F378 VanDerWaalsContact O-CE2 3.24Å; K376-F378 WeakPolarHBondContact O-CE2 3.49Å; F378-K383 HydrophobicContact CB-CB 4.34Å; F378-K383 HydrophobicContact CD1-CB 3.87Å; F378-K383 HydrophobicContact CG-CB 4.47Å; F378-Y384 AromaticContact CD2-CD2 3.98Å; F378-Y384 HydrophobicContact CD2-CD2 3.98Å; F378-H387 HydrophobicContact CE1-CB 4.04Å; F378-H387 HydrophobicContact CE2-CB 4.14Å; F378-H387 AromaticContact CE2-CD2 3.08Å; F378-H387 WeakPolarHBondContact CE2-CD2 3.34Å; F378-H387 AromaticContact CE2-CG 3.72Å; F378-H387 AromaticContact CE2-NE2 3.83Å; F378-H387 HydrophobicContact CZ-CB 3.64Å; F378-H387 AromaticContact CZ-CD2 3.25Å; F378-H387 WeakPolarHBondContact CZ-CD2 3.46Å; F378-H387 AromaticContact CZ-CG 3.37Å
379	D	67.4	Low	66.1	Low	95 Å²	95	63.4 Å²	63.4	51%	0.508	33%	0.327	S	S	.	.	S	Bend	trans	-87.7	-1.6	-177.2	58	-66.1	0	0	0	114.2	K383	D379-K383 WeakPolarHBondContact OD1-CD 3.34Å; D379-K383 IonicContact OD1-NZ 2.68Å; D379-K383 PolarHBondContact OD1-NZ 2.82Å; D379-K383 IonicContact OD2-NZ 2.76Å; D379-K383 PolarHBondContact OD2-NZ 2.78Å
380	R	73.7	Confident	65.6	Low	181 Å²	181	66.7 Å²	66.7	68%	0.683	35%	0.347	S	S	*	.	S	Bend	trans	-152.6	144.7	179.5	-64.3	-171.9	174.4	-171.4	-7.6	111.9	K383 Y384	R380-K383 HydrophobicContact CB-CD 4.22Å; R380-K383 HydrophobicContact CB-CG 4.26Å; R380-K383 WeakPolarHBondContact O-CB 3.48Å; R380-K383 PolarHBondContact O-N 3.32Å; R380-K383 VanDerWaalsContact O-N 3.13Å; R380-Y384 PolarHBondContact O-N 3.48Å
381	A	66.3	Low	65.2	Low	53 Å²	53	67.1 Å²	67.1	44%	0.438	35%	0.35	S	S	.	.	H	α-helix	trans	-55.5	-54.7	178.3	0	0	0	0	0	113.2	L369 K383 Y384 E385	L369-A381 HydrophobicContact CD1-CB 4.22Å; A381-K383 PolarHBondContact O-N 3.24Å; A381-Y384 WeakPolarHBondContact O-CA 3.27Å; A381-Y384 VanDerWaalsContact O-CB 3.29Å; A381-Y384 WeakPolarHBondContact O-CB 3.42Å; A381-Y384 PolarHBondContact O-N 3.19Å; A381-E385 WeakPolarHBondContact O-CB 3.3Å; A381-E385 PolarHBondContact O-N 2.86Å
382	G	64.7	Low	64.7	Low	46 Å²	46	69.7 Å²	69.7	47%	0.474	37%	0.366	S	S	.	.	H	α-helix	trans	-60.9	-18	178.5	0	0	0	0	0	115.2	S386	G382-S386 VanDerWaalsContact O-CB 3.3Å; G382-S386 WeakPolarHBondContact O-CB 3.4Å; G382-S386 PolarHBondContact O-N 3.09Å; G382-S386 VanDerWaalsContact O-N 3.09Å; G382-S386 PolarHBondContact O-OG 3.48Å
383	K	64.3	Low	64.5	Low	88 Å²	88	69 Å²	69	38%	0.383	37%	0.371	S	S	.	.	H	α-helix	trans	-77.1	-45.6	168.9	-71.2	176.2	167.8	175.3	0	111.4	F378 D379 R380 A381 E385 S386 H387	F378-K383 HydrophobicContact CB-CB 4.34Å; F378-K383 HydrophobicContact CD1-CB 3.87Å; F378-K383 HydrophobicContact CG-CB 4.47Å; D379-K383 WeakPolarHBondContact OD1-CD 3.34Å; D379-K383 IonicContact OD1-NZ 2.68Å; D379-K383 PolarHBondContact OD1-NZ 2.82Å; D379-K383 IonicContact OD2-NZ 2.76Å; D379-K383 PolarHBondContact OD2-NZ 2.78Å; R380-K383 HydrophobicContact CB-CD 4.22Å; R380-K383 HydrophobicContact CB-CG 4.26Å; R380-K383 WeakPolarHBondContact O-CB 3.48Å; R380-K383 PolarHBondContact O-N 3.32Å; R380-K383 VanDerWaalsContact O-N 3.13Å; A381-K383 PolarHBondContact O-N 3.24Å; K383-E385 VanDerWaalsContact C-N 3.32Å; K383-S386 WeakPolarHBondContact CA-OG 3.45Å; K383-S386 PolarHBondContact O-N 2.96Å; K383-S386 PolarHBondContact O-OG 3.04Å; K383-H387 WeakPolarHBondContact O-CB 3.41Å; K383-H387 PolarHBondContact O-N 3.32Å; K383-H387 VanDerWaalsContact O-N 3.15Å
384	Y	70.3	Confident	64.5	Low	0 Å²	0	68.1 Å²	68.1	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-57.1	-47	174.4	-179	-89.9	0	0	0	111	Y352 L356 A357 P358 L369 C371 P372 F378 R380 A381 H387 T388	Y352-Y384 HydrophobicContact CE1-CD1 4.41Å; Y352-Y384 HydrophobicContact CE1-CE1 4.41Å; L356-Y384 PolarHBondContact O-OH 2.93Å; A357-Y384 PolarHBondContact O-OH 2.75Å; P358-Y384 WeakPolarHBondContact CA-OH 3.27Å; P358-Y384 HydrophobicContact CB-CD1 4.24Å; P358-Y384 HydrophobicContact CB-CD2 4.25Å; P358-Y384 HydrophobicContact CB-CE1 3.79Å; P358-Y384 HydrophobicContact CB-CE2 3.77Å; P358-Y384 HydrophobicContact CB-CG 4.48Å; P358-Y384 HydrophobicContact CG-CE1 4.27Å; L369-Y384 HydrophobicContact CB-CD2 3.63Å; L369-Y384 HydrophobicContact CB-CE2 4.31Å; L369-Y384 HydrophobicContact CB-CG 4.04Å; L369-Y384 HydrophobicContact CD1-CG 4.12Å; C371-Y384 HydrophobicContact CB-CE2 4.02Å; P372-Y384 WeakPolarHBondContact CD-OH 3.32Å; F378-Y384 AromaticContact CD2-CD2 3.98Å; F378-Y384 HydrophobicContact CD2-CD2 3.98Å; R380-Y384 PolarHBondContact O-N 3.48Å; A381-Y384 WeakPolarHBondContact O-CA 3.27Å; A381-Y384 VanDerWaalsContact O-CB 3.29Å; A381-Y384 WeakPolarHBondContact O-CB 3.42Å; A381-Y384 PolarHBondContact O-N 3.19Å; Y384-H387 CarbonylContact O-C 3.48Å; Y384-H387 VanDerWaalsContact O-CA 3.31Å; Y384-H387 WeakPolarHBondContact O-CA 3.43Å; Y384-H387 VanDerWaalsContact O-CB 3.3Å; Y384-H387 WeakPolarHBondContact O-CB 3.25Å; Y384-H387 PolarHBondContact O-N 2.8Å; Y384-T388 HydrophobicContact CD1-CG2 3.93Å; Y384-T388 HydrophobicContact CE1-CG2 3.42Å; Y384-T388 VanDerWaalsContact CE1-CG2 3.42Å; Y384-T388 PolarHBondContact O-N 3.36Å
385	E	64.5	Low	64.6	Low	86 Å²	86	72.2 Å²	72.2	40%	0.402	38%	0.381	S	S	.	.	H	α-helix	trans	-67.3	-36	177.9	-167.2	-143.9	123.7	0	0	112.7	A381 K383 H387 T388 R389	A381-E385 WeakPolarHBondContact O-CB 3.3Å; A381-E385 PolarHBondContact O-N 2.86Å; K383-E385 VanDerWaalsContact C-N 3.32Å; E385-H387 PolarHBondContact O-N 2.96Å; E385-T388 WeakPolarHBondContact CA-OG1 3.28Å; E385-T388 PolarHBondContact O-OG1 2.73Å; E385-R389 PolarHBondContact O-NE 3.04Å; E385-R389 PolarHBondContact O-NH2 3.09Å; E385-R389 IonicContact OE1-CZ 2.67Å; E385-R389 IonicContact OE1-NH1 3.56Å; E385-R389 PolarHBondContact OE1-NH1 2.84Å; E385-R389 IonicContact OE1-NH2 3.18Å; E385-R389 PolarHBondContact OE1-NH2 2.74Å
386	S	63.5	Low	64.9	Low	40 Å²	40	69.9 Å²	69.9	28%	0.28	38%	0.378	S	S	.	.	H	α-helix	trans	-65.6	-14.3	168	76.8	0	0	0	0	113.7	G382 K383	G382-S386 VanDerWaalsContact O-CB 3.3Å; G382-S386 WeakPolarHBondContact O-CB 3.4Å; G382-S386 PolarHBondContact O-N 3.09Å; G382-S386 VanDerWaalsContact O-N 3.09Å; G382-S386 PolarHBondContact O-OG 3.48Å; K383-S386 WeakPolarHBondContact CA-OG 3.45Å; K383-S386 PolarHBondContact O-N 2.96Å; K383-S386 PolarHBondContact O-OG 3.04Å
387	H	69	Low	65.1	Low	11 Å²	11	67.8 Å²	67.8	5%	0.051	37%	0.368	C	S	.	.	H	α-helix	trans	-102.9	-30	179.8	168	47.6	0	0	0	113.2	C371 C374 F378 K383 Y384 E385 R389 V390 H391	C371-H387 WeakPolarHBondContact CB-NE2 3.45Å; C371-H387 PolarHBondContact SG-NE2 3.31Å; C374-H387 PolarHBondContact SG-CE1 3.47Å; C374-H387 PolarHBondContact SG-NE2 3.04Å; F378-H387 HydrophobicContact CE1-CB 4.04Å; F378-H387 HydrophobicContact CE2-CB 4.14Å; F378-H387 AromaticContact CE2-CD2 3.08Å; F378-H387 WeakPolarHBondContact CE2-CD2 3.34Å; F378-H387 AromaticContact CE2-CG 3.72Å; F378-H387 AromaticContact CE2-NE2 3.83Å; F378-H387 HydrophobicContact CZ-CB 3.64Å; F378-H387 AromaticContact CZ-CD2 3.25Å; F378-H387 WeakPolarHBondContact CZ-CD2 3.46Å; F378-H387 AromaticContact CZ-CG 3.37Å; K383-H387 WeakPolarHBondContact O-CB 3.41Å; K383-H387 PolarHBondContact O-N 3.32Å; K383-H387 VanDerWaalsContact O-N 3.15Å; Y384-H387 CarbonylContact O-C 3.48Å; Y384-H387 VanDerWaalsContact O-CA 3.31Å; Y384-H387 WeakPolarHBondContact O-CA 3.43Å; Y384-H387 VanDerWaalsContact O-CB 3.3Å; Y384-H387 WeakPolarHBondContact O-CB 3.25Å; Y384-H387 PolarHBondContact O-N 2.8Å; E385-H387 PolarHBondContact O-N 2.96Å; H387-R389 PolarHBondContact O-N 3.46Å; H387-V390 WeakPolarHBondContact O-CA 3.3Å; H387-V390 VanDerWaalsContact O-CB 3.22Å; H387-V390 WeakPolarHBondContact O-CB 3.12Å; H387-V390 PolarHBondContact O-N 2.95Å; H387-H391 AromaticContact CE1-CD2 3.62Å; H387-H391 AromaticContact CE1-NE2 3.26Å; H387-H391 PolarHBondContact CE1-NE2 3.01Å; H387-H391 VanDerWaalsContact CE1-NE2 3.26Å; H387-H391 AromaticContact NE2-CD2 3.95Å; H387-H391 AromaticContact NE2-NE2 3.61Å
388	T	62.8	Low	65.1	Low	13 Å²	13	68.1 Å²	68.1	8%	0.08	36%	0.363	C	S	.	.	H	α-helix	trans	-59.2	-33.8	168.3	50.1	0	0	0	0	111	L356 Y384 E385 V390 H391 T392	L356-T388 HydrophobicContact CB-CG2 4.14Å; L356-T388 HydrophobicContact CD1-CG2 4.47Å; Y384-T388 HydrophobicContact CD1-CG2 3.93Å; Y384-T388 HydrophobicContact CE1-CG2 3.42Å; Y384-T388 VanDerWaalsContact CE1-CG2 3.42Å; Y384-T388 PolarHBondContact O-N 3.36Å; E385-T388 WeakPolarHBondContact CA-OG1 3.28Å; E385-T388 PolarHBondContact O-OG1 2.73Å; T388-V390 PolarHBondContact O-N 3.21Å; T388-H391 WeakPolarHBondContact O-CA 3.32Å; T388-H391 WeakPolarHBondContact O-CB 3.49Å; T388-H391 PolarHBondContact O-N 3.2Å; T388-T392 PolarHBondContact O-N 3.26Å; T388-T392 PolarHBondContact O-OG1 2.82Å
389	R	69.1	Low	65.2	Low	51 Å²	51	66.3 Å²	66.3	19%	0.192	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-7.6	168.1	-73.7	-176.8	-78.9	-96	-1.3	116	E385 H387 T392 E394	E385-R389 PolarHBondContact O-NE 3.04Å; E385-R389 PolarHBondContact O-NH2 3.09Å; E385-R389 IonicContact OE1-CZ 2.67Å; E385-R389 IonicContact OE1-NH1 3.56Å; E385-R389 PolarHBondContact OE1-NH1 2.84Å; E385-R389 IonicContact OE1-NH2 3.18Å; E385-R389 PolarHBondContact OE1-NH2 2.74Å; H387-R389 PolarHBondContact O-N 3.46Å; R389-T392 WeakPolarHBondContact CA-OG1 3.26Å; R389-E394 HydrophobicContact CG-CB 4.43Å
390	V	60.4	Low	65.4	Low	91 Å²	91	67.3 Å²	67.3	55%	0.552	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-17.9	168.5	-174.4	0	0	0	0	111.5	H387 T388	H387-V390 WeakPolarHBondContact O-CA 3.3Å; H387-V390 VanDerWaalsContact O-CB 3.22Å; H387-V390 WeakPolarHBondContact O-CB 3.12Å; H387-V390 PolarHBondContact O-N 2.95Å; T388-V390 PolarHBondContact O-N 3.21Å
391	H	57.7	Low	65.3	Low	63 Å²	63	63.8 Å²	63.8	29%	0.292	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-25.9	178.8	-68.7	-73.9	0	0	0	113.6	L356 K373 C374 H387 T388	L356-H391 HydrophobicContact CD2-CB 4.08Å; K373-H391 HydrophobicContact CD-CB 4.41Å; C374-H391 PolarHBondContact SG-NE2 3.21Å; C374-H391 VanDerWaalsContact SG-NE2 3.37Å; H387-H391 AromaticContact CE1-CD2 3.62Å; H387-H391 AromaticContact CE1-NE2 3.26Å; H387-H391 PolarHBondContact CE1-NE2 3.01Å; H387-H391 VanDerWaalsContact CE1-NE2 3.26Å; H387-H391 AromaticContact NE2-CD2 3.95Å; H387-H391 AromaticContact NE2-NE2 3.61Å; T388-H391 WeakPolarHBondContact O-CA 3.32Å; T388-H391 WeakPolarHBondContact O-CB 3.49Å; T388-H391 PolarHBondContact O-N 3.2Å
392	T	59.3	Low	65.9	Low	54 Å²	54	63.6 Å²	63.6	33%	0.331	35%	0.35	S	S	.	.	S	Bend	trans	-84.6	-18.1	170.1	57.2	0	0	0	0	113	L356 T388 R389 E394	L356-T392 HydrophobicContact CD1-CG2 3.6Å; T388-T392 PolarHBondContact O-N 3.26Å; T388-T392 PolarHBondContact O-OG1 2.82Å; R389-T392 WeakPolarHBondContact CA-OG1 3.26Å; T392-E394 VanDerWaalsContact CB-OE2 3.31Å; T392-E394 WeakPolarHBondContact CB-OE2 3.4Å; T392-E394 PolarHBondContact O-N 3.33Å; T392-E394 WeakPolarHBondContact OG1-CG 3.4Å; T392-E394 PolarHBondContact OG1-OE2 3.11Å
393	G	56.8	Low	66	Low	50 Å²	50	66.8 Å²	66.8	52%	0.515	36%	0.355	S	S	.	.			trans	78.4	-5.6	-178.7	0	0	0	0	0	115
394	E	59	Low	66.1	Low	98 Å²	98	67.9 Å²	67.9	46%	0.458	36%	0.362	S	S	.	.			trans	-58.9	136.5	-177.4	-63.3	159.9	143.2	0	0	112.5	R389 T392	R389-E394 HydrophobicContact CG-CB 4.43Å; T392-E394 VanDerWaalsContact CB-OE2 3.31Å; T392-E394 WeakPolarHBondContact CB-OE2 3.4Å; T392-E394 PolarHBondContact O-N 3.33Å; T392-E394 WeakPolarHBondContact OG1-CG 3.4Å; T392-E394 PolarHBondContact OG1-OE2 3.11Å
395	K	62.9	Low	65.8	Low	130 Å²	130	70 Å²	70	57%	0.565	38%	0.376	S	S	*	.			trans	-129.3	69.1	-179	-68.4	160.4	177.2	174.5	0	111.5	F397 C405 Y406	K395-F397 PolarHBondContact O-N 3.18Å; K395-C405 HydrophobicContact CB-CB 3.53Å; K395-C405 HydrophobicContact CD-CB 4.15Å; K395-C405 WeakPolarHBondContact CD-O 3.32Å; K395-C405 HydrophobicContact CG-CB 4.43Å; K395-C405 WeakPolarHBondContact O-CB 3.26Å; K395-Y406 CarbonylContact C-O 3.56Å; K395-Y406 VanDerWaalsContact C-O 3.23Å; K395-Y406 WeakPolarHBondContact CA-O 3.16Å
396	P	67.1	Low	66.2	Low	82 Å²	82	68.5 Å²	68.5	53%	0.532	37%	0.367	S	S	.	.			trans	-67.2	-9.8	-171.4	-20.4	34	0	0	0	115.2
397	F	67.4	Low	66.2	Low	62 Å²	62	68 Å²	68	27%	0.272	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	79.8	-172.2	-55.8	-76	0	0	0	110.9	K395 Y406 T408 K409 L412	K395-F397 PolarHBondContact O-N 3.18Å; F397-Y406 WeakPolarHBondContact CB-O 3.08Å; F397-Y406 WeakPolarHBondContact CD2-O 3.16Å; F397-Y406 PolarHBondContact N-O 3.38Å; F397-Y406 PolarHBondContact O-N 2.7Å; F397-T408 VanDerWaalsContact CD2-CA 3.49Å; F397-K409 HydrophobicContact CD1-CB 3.8Å; F397-K409 HydrophobicContact CD1-CG 4.17Å; F397-K409 VanDerWaalsContact CD2-N 3.32Å; F397-K409 HydrophobicContact CE1-CB 3.76Å; F397-K409 HydrophobicContact CE1-CD 4.23Å; F397-K409 HydrophobicContact CE1-CG 4.26Å; F397-K409 HydrophobicContact CG-CB 4.23Å; F397-K409 HydrophobicContact CZ-CB 4.15Å; F397-L412 HydrophobicContact CB-CB 4.06Å; F397-L412 HydrophobicContact CB-CD2 3.88Å
398	Q	67	Low	66.3	Low	99 Å²	99	68.5 Å²	68.5	46%	0.463	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	149.6	174	-170.6	159.3	-23.2	0	0	112	Q404 L412	Q398-Q404 CarbonylContact C-O 3.57Å; Q398-L412 WeakPolarHBondContact O-CD1 3.32Å; Q398-L412 VanDerWaalsContact O-CD2 3.25Å; Q398-L412 WeakPolarHBondContact O-CD2 3.15Å
399	C	77	Confident	66.4	Low	0 Å²	0	75 Å²	75	0%	0	39%	0.394	C	S	.	.			trans	-99.4	104.2	172.5	-172.7	0	0	0	0	111.2	I401 C402 L403 Q404 Y406 L412 H415	C399-I401 PolarHBondContact O-N 2.97Å; C399-C402 PolarHBondContact O-N 2.93Å; C399-L403 VanDerWaalsContact O-CA 3.23Å; C399-L403 WeakPolarHBondContact O-CA 3.34Å; C399-L403 PolarHBondContact O-N 3.27Å; C399-Q404 WeakPolarHBondContact CB-O 3.39Å; C399-Q404 PolarHBondContact N-O 3.03Å; C399-Y406 HydrophobicContact CB-CE2 4.34Å; C399-L412 HydrophobicContact CB-CD1 3.49Å; C399-L412 VanDerWaalsContact CB-CD1 3.49Å; C399-H415 PolarHBondContact SG-CD2 3.02Å; C399-H415 PolarHBondContact SG-NE2 3.23Å; C399-H415 VanDerWaalsContact SG-NE2 3.38Å
400	D	70.5	Confident	66.5	Low	115 Å²	115	76 Å²	76	62%	0.615	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-14.5	176.7	20.3	-62.5	0	0	0	115.7	K416	D400-K416 WeakPolarHBondContact OD1-CE 3.19Å; D400-K416 IonicContact OD1-NZ 2.61Å; D400-K416 PolarHBondContact OD1-NZ 3.44Å; D400-K416 IonicContact OD2-NZ 2.73Å; D400-K416 PolarHBondContact OD2-NZ 3.31Å
401	I	72.6	Confident	67	Low	107 Å²	107	75.6 Å²	75.6	55%	0.549	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-25.7	176.7	-59.7	171	0	0	0	113.8	C399 H419	C399-I401 PolarHBondContact O-N 2.97Å; I401-H419 HydrophobicContact CD1-CB 3.73Å; I401-H419 HydrophobicContact CG2-CB 4.18Å
402	C	77.2	Confident	67.8	Low	50 Å²	50	73.4 Å²	73.4	34%	0.338	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.4	18.5	-177	73.9	0	0	0	0	114.2	C399 Q404 H415 H419	C399-C402 PolarHBondContact O-N 2.93Å; C402-Q404 PolarHBondContact O-N 2.69Å; C402-H415 VanDerWaalsContact SG-CE1 3.58Å; C402-H415 PolarHBondContact SG-NE2 2.84Å; C402-H419 PolarHBondContact SG-NE2 3.49Å; C402-H419 VanDerWaalsContact SG-NE2 3.44Å
403	L	67.8	Low	68.4	Low	113 Å²	113	74 Å²	74	59%	0.592	40%	0.398	S	S	*	.			trans	52.1	15.5	176.9	-46.6	-177.9	0	0	0	116.4	C399 C405	C399-L403 VanDerWaalsContact O-CA 3.23Å; C399-L403 WeakPolarHBondContact O-CA 3.34Å; C399-L403 PolarHBondContact O-N 3.27Å; L403-C405 PolarHBondContact O-N 2.58Å; L403-C405 PolarHBondContact O-SG 2.88Å
404	Q	65.3	Low	69.3	Low	111 Å²	111	76.4 Å²	76.4	52%	0.519	40%	0.403	S	S	.	.			trans	-73.6	125.2	177.4	-70.8	-62.7	-55.5	0	0	111.5	Q398 C399 C402 Y406	Q398-Q404 CarbonylContact C-O 3.57Å; C399-Q404 WeakPolarHBondContact CB-O 3.39Å; C399-Q404 PolarHBondContact N-O 3.03Å; C402-Q404 PolarHBondContact O-N 2.69Å; Q404-Y406 HydrophobicContact CB-CE2 3.83Å; Q404-Y406 WeakPolarHBondContact CB-OH 3.47Å; Q404-Y406 WeakPolarHBondContact O-CD2 3.23Å; Q404-Y406 WeakPolarHBondContact O-CE2 3.12Å
405	C	64.5	Low	70	Confident	43 Å²	43	73 Å²	73	29%	0.291	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	134.2	-175.3	-55.6	0	0	0	0	112.9	K395 L403	K395-C405 HydrophobicContact CB-CB 3.53Å; K395-C405 HydrophobicContact CD-CB 4.15Å; K395-C405 WeakPolarHBondContact CD-O 3.32Å; K395-C405 HydrophobicContact CG-CB 4.43Å; K395-C405 WeakPolarHBondContact O-CB 3.26Å; L403-C405 PolarHBondContact O-N 2.58Å; L403-C405 PolarHBondContact O-SG 2.88Å
406	Y	73	Confident	70.3	Confident	56 Å²	56	69.9 Å²	69.9	22%	0.22	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	147	-177.8	-61.6	-77.6	0	0	0	112.2	K395 F397 C399 Q404 T408 N411 L412 H415	K395-Y406 CarbonylContact C-O 3.56Å; K395-Y406 VanDerWaalsContact C-O 3.23Å; K395-Y406 WeakPolarHBondContact CA-O 3.16Å; F397-Y406 WeakPolarHBondContact CB-O 3.08Å; F397-Y406 WeakPolarHBondContact CD2-O 3.16Å; F397-Y406 PolarHBondContact N-O 3.38Å; F397-Y406 PolarHBondContact O-N 2.7Å; C399-Y406 HydrophobicContact CB-CE2 4.34Å; Q404-Y406 HydrophobicContact CB-CE2 3.83Å; Q404-Y406 WeakPolarHBondContact CB-OH 3.47Å; Q404-Y406 WeakPolarHBondContact O-CD2 3.23Å; Q404-Y406 WeakPolarHBondContact O-CE2 3.12Å; Y406-T408 VanDerWaalsContact C-N 3.29Å; Y406-T408 PolarHBondContact O-N 3.16Å; Y406-N411 HydrophobicContact CD1-CB 4.24Å; Y406-N411 HydrophobicContact CG-CB 4.43Å; Y406-L412 HydrophobicContact CD2-CB 4.07Å; Y406-L412 HydrophobicContact CD2-CD1 3.85Å; Y406-L412 HydrophobicContact CE2-CD1 4.22Å; Y406-L412 HydrophobicContact CG-CB 4.48Å; Y406-H415 HydrophobicContact CE2-CB 3.9Å; Y406-H415 AromaticContact CE2-CD2 3.47Å; Y406-H415 VanDerWaalsContact CE2-CD2 3.47Å; Y406-H415 WeakPolarHBondContact CE2-CD2 3.4Å; Y406-H415 AromaticContact CE2-CG 3.61Å; Y406-H415 AromaticContact CZ-CD2 3.88Å; Y406-H415 AromaticContact CZ-CG 3.59Å; Y406-H415 AromaticContact CZ-ND1 3.88Å; Y406-H415 PolarHBondContact OH-CE1 2.86Å; Y406-H415 VanDerWaalsContact OH-CG 3.28Å; Y406-H415 PolarHBondContact OH-ND1 3.34Å; Y406-H415 VanDerWaalsContact OH-ND1 3.09Å
407	S	64.3	Low	70.5	Confident	29 Å²	29	73 Å²	73	20%	0.203	38%	0.378	C	S	.	.	S	Bend	trans	-77.1	-8.4	177.1	54.5	0	0	0	0	114.5
408	T	70.1	Confident	70.5	Confident	22 Å²	22	78 Å²	78	14%	0.135	40%	0.4	C	S	.	.	S	Bend	trans	-143.7	141.9	174.9	65.8	0	0	0	0	113.1	F397 Y406 S410 N411 L412	F397-T408 VanDerWaalsContact CD2-CA 3.49Å; Y406-T408 VanDerWaalsContact C-N 3.29Å; Y406-T408 PolarHBondContact O-N 3.16Å; T408-S410 PolarHBondContact O-N 3.19Å; T408-S410 PolarHBondContact OG1-OG 3.19Å; T408-S410 VanDerWaalsContact OG1-OG 3.09Å; T408-N411 PolarHBondContact O-N 2.73Å; T408-N411 WeakPolarHBondContact OG1-CB 3.36Å; T408-N411 PolarHBondContact OG1-N 3.15Å; T408-N411 PolarHBondContact OG1-ND2 2.93Å; T408-N411 PolarHBondContact OG1-OD1 2.82Å; T408-L412 PolarHBondContact O-N 2.74Å; T408-L412 VanDerWaalsContact O-N 3.11Å
409	K	66.1	Low	70.6	Confident	148 Å²	148	76.5 Å²	76.5	64%	0.643	39%	0.393	S	S	*	.	H	α-helix	trans	-56.4	-30.9	173.4	-163	166.6	-176.7	169	0	112.7	F397 T413	F397-K409 HydrophobicContact CD1-CB 3.8Å; F397-K409 HydrophobicContact CD1-CG 4.17Å; F397-K409 VanDerWaalsContact CD2-N 3.32Å; F397-K409 HydrophobicContact CE1-CB 3.76Å; F397-K409 HydrophobicContact CE1-CD 4.23Å; F397-K409 HydrophobicContact CE1-CG 4.26Å; F397-K409 HydrophobicContact CG-CB 4.23Å; F397-K409 HydrophobicContact CZ-CB 4.15Å; K409-T413 WeakPolarHBondContact O-CB 3.31Å; K409-T413 PolarHBondContact O-N 3.17Å; K409-T413 PolarHBondContact O-OG1 3.21Å
410	S	70.3	Confident	69.9	Low	74 Å²	74	79.2 Å²	79.2	52%	0.517	42%	0.415	S	S	.	.	H	α-helix	trans	-67.2	-40.5	174.1	46.4	0	0	0	0	113.3	T408 T413 V414	T408-S410 PolarHBondContact O-N 3.19Å; T408-S410 PolarHBondContact OG1-OG 3.19Å; T408-S410 VanDerWaalsContact OG1-OG 3.09Å; S410-T413 PolarHBondContact O-N 2.75Å; S410-V414 WeakPolarHBondContact O-CG2 3.46Å; S410-V414 PolarHBondContact O-N 2.84Å
411	N	70.4	Confident	69	Low	82 Å²	82	76.1 Å²	76.1	44%	0.439	41%	0.41	S	S	.	.	H	α-helix	trans	-69.1	-42.4	177.1	-68.8	-8.1	0	0	0	110.4	Y406 T408 T413 V414 H415	Y406-N411 HydrophobicContact CD1-CB 4.24Å; Y406-N411 HydrophobicContact CG-CB 4.43Å; T408-N411 PolarHBondContact O-N 2.73Å; T408-N411 WeakPolarHBondContact OG1-CB 3.36Å; T408-N411 PolarHBondContact OG1-N 3.15Å; T408-N411 PolarHBondContact OG1-ND2 2.93Å; T408-N411 PolarHBondContact OG1-OD1 2.82Å; N411-T413 VanDerWaalsContact C-N 3.3Å; N411-T413 PolarHBondContact O-N 3.25Å; N411-V414 PolarHBondContact O-N 3.41Å; N411-H415 WeakPolarHBondContact O-CB 3.38Å; N411-H415 PolarHBondContact O-N 2.85Å
412	L	74.2	Confident	67.8	Low	16 Å²	16	79.1 Å²	79.1	8%	0.084	43%	0.427	C	S	.	.	H	α-helix	trans	-56.3	-43.4	170.2	176.5	62.6	0	0	0	111.8	F397 Q398 C399 Y406 T408 V414 H415 K416	F397-L412 HydrophobicContact CB-CB 4.06Å; F397-L412 HydrophobicContact CB-CD2 3.88Å; Q398-L412 WeakPolarHBondContact O-CD1 3.32Å; Q398-L412 VanDerWaalsContact O-CD2 3.25Å; Q398-L412 WeakPolarHBondContact O-CD2 3.15Å; C399-L412 HydrophobicContact CB-CD1 3.49Å; C399-L412 VanDerWaalsContact CB-CD1 3.49Å; Y406-L412 HydrophobicContact CD2-CB 4.07Å; Y406-L412 HydrophobicContact CD2-CD1 3.85Å; Y406-L412 HydrophobicContact CE2-CD1 4.22Å; Y406-L412 HydrophobicContact CG-CB 4.48Å; T408-L412 PolarHBondContact O-N 2.74Å; T408-L412 VanDerWaalsContact O-N 3.11Å; L412-V414 VanDerWaalsContact C-N 3.35Å; L412-V414 PolarHBondContact O-N 3.31Å; L412-H415 CarbonylContact O-C 3.57Å; L412-H415 PolarHBondContact O-N 3.38Å; L412-H415 VanDerWaalsContact O-N 3.14Å; L412-K416 HydrophobicContact CD1-CD 4.39Å; L412-K416 HydrophobicContact CD1-CG 4.07Å; L412-K416 HydrophobicContact CG-CD 4.45Å; L412-K416 HydrophobicContact CG-CG 4.42Å; L412-K416 PolarHBondContact O-N 3.31Å
413	T	73.6	Confident	66.2	Low	68 Å²	68	79.5 Å²	79.5	42%	0.417	44%	0.435	S	S	.	.	H	α-helix	trans	-64.7	-36.5	178.6	-55.7	0	0	0	0	112.5	K409 S410 N411 H415 K417	K409-T413 WeakPolarHBondContact O-CB 3.31Å; K409-T413 PolarHBondContact O-N 3.17Å; K409-T413 PolarHBondContact O-OG1 3.21Å; S410-T413 PolarHBondContact O-N 2.75Å; N411-T413 VanDerWaalsContact C-N 3.3Å; N411-T413 PolarHBondContact O-N 3.25Å; T413-H415 VanDerWaalsContact C-N 3.34Å; T413-K417 WeakPolarHBondContact O-CG 3.4Å; T413-K417 PolarHBondContact O-N 3.16Å
414	V	74	Confident	65.1	Low	100 Å²	100	80.5 Å²	80.5	61%	0.606	45%	0.448	S	S	*	.	H	α-helix	trans	-71.3	-31.6	173.9	171.8	0	0	0	0	111.5	S410 N411 L412	S410-V414 WeakPolarHBondContact O-CG2 3.46Å; S410-V414 PolarHBondContact O-N 2.84Å; N411-V414 PolarHBondContact O-N 3.41Å; L412-V414 VanDerWaalsContact C-N 3.35Å; L412-V414 PolarHBondContact O-N 3.31Å
415	H	73.9	Confident	63.9	Low	25 Å²	25	81 Å²	81	12%	0.116	45%	0.453	C	S	.	.	H	α-helix	trans	-74.6	-44.9	175.7	170.2	75.6	0	0	0	112.8	C399 C402 Y406 N411 L412 T413 K417 K418 H419	C399-H415 PolarHBondContact SG-CD2 3.02Å; C399-H415 PolarHBondContact SG-NE2 3.23Å; C399-H415 VanDerWaalsContact SG-NE2 3.38Å; C402-H415 VanDerWaalsContact SG-CE1 3.58Å; C402-H415 PolarHBondContact SG-NE2 2.84Å; Y406-H415 HydrophobicContact CE2-CB 3.9Å; Y406-H415 AromaticContact CE2-CD2 3.47Å; Y406-H415 VanDerWaalsContact CE2-CD2 3.47Å; Y406-H415 WeakPolarHBondContact CE2-CD2 3.4Å; Y406-H415 AromaticContact CE2-CG 3.61Å; Y406-H415 AromaticContact CZ-CD2 3.88Å; Y406-H415 AromaticContact CZ-CG 3.59Å; Y406-H415 AromaticContact CZ-ND1 3.88Å; Y406-H415 PolarHBondContact OH-CE1 2.86Å; Y406-H415 VanDerWaalsContact OH-CG 3.28Å; Y406-H415 PolarHBondContact OH-ND1 3.34Å; Y406-H415 VanDerWaalsContact OH-ND1 3.09Å; N411-H415 WeakPolarHBondContact O-CB 3.38Å; N411-H415 PolarHBondContact O-N 2.85Å; L412-H415 CarbonylContact O-C 3.57Å; L412-H415 PolarHBondContact O-N 3.38Å; L412-H415 VanDerWaalsContact O-N 3.14Å; T413-H415 VanDerWaalsContact C-N 3.34Å; H415-K417 PolarHBondContact O-N 2.97Å; H415-K417 VanDerWaalsContact O-N 3.16Å; H415-K418 VanDerWaalsContact O-CB 3.3Å; H415-K418 WeakPolarHBondContact O-CB 3Å; H415-K418 PolarHBondContact O-N 2.93Å; H415-H419 AromaticContact CD2-NE2 3.79Å; H415-H419 AromaticContact CE1-CE1 3.89Å; H415-H419 AromaticContact CE1-NE2 3.42Å; H415-H419 PolarHBondContact CE1-NE2 3.06Å; H415-H419 AromaticContact NE2-CD2 3.82Å; H415-H419 AromaticContact NE2-CE1 3.86Å; H415-H419 AromaticContact NE2-NE2 2.98Å; H415-H419 PolarHBondContact NE2-NE2 3.15Å
416	K	70.8	Confident	62.9	Low	65 Å²	65	84.7 Å²	84.7	28%	0.283	48%	0.476	S	S	.	.	H	α-helix	trans	-58.5	-28.1	172.8	-71.1	-168.4	-176.9	-169.1	0	112.3	D400 L412 K418 H419 A420	D400-K416 WeakPolarHBondContact OD1-CE 3.19Å; D400-K416 IonicContact OD1-NZ 2.61Å; D400-K416 PolarHBondContact OD1-NZ 3.44Å; D400-K416 IonicContact OD2-NZ 2.73Å; D400-K416 PolarHBondContact OD2-NZ 3.31Å; L412-K416 HydrophobicContact CD1-CD 4.39Å; L412-K416 HydrophobicContact CD1-CG 4.07Å; L412-K416 HydrophobicContact CG-CD 4.45Å; L412-K416 HydrophobicContact CG-CG 4.42Å; L412-K416 PolarHBondContact O-N 3.31Å; K416-K418 PolarHBondContact O-N 2.88Å; K416-H419 PolarHBondContact O-N 2.99Å; K416-H419 VanDerWaalsContact O-N 3.14Å; K416-A420 PolarHBondContact O-N 2.98Å
417	K	70.9	Confident	61.7	Low	149 Å²	149	89.4 Å²	89.4	65%	0.648	50%	0.498	S	S	*	.	H	α-helix	trans	-71.4	-2.7	170.3	-75.7	178	179.5	-176.6	0	115.6	T413 H415	T413-K417 WeakPolarHBondContact O-CG 3.4Å; T413-K417 PolarHBondContact O-N 3.16Å; H415-K417 PolarHBondContact O-N 2.97Å; H415-K417 VanDerWaalsContact O-N 3.16Å
418	K	66.3	Low	61.2	Low	165 Å²	165	97.1 Å²	97.1	72%	0.717	53%	0.528	S	S	*	.	H	α-helix	trans	-88.5	-33.8	164	-65.3	-173.3	171.5	-171.2	0	112.2	H415 K416	H415-K418 VanDerWaalsContact O-CB 3.3Å; H415-K418 WeakPolarHBondContact O-CB 3Å; H415-K418 PolarHBondContact O-N 2.93Å; K416-K418 PolarHBondContact O-N 2.88Å
419	H	69.3	Low	60.8	Low	68 Å²	68	100.8 Å²	100.8	32%	0.315	54%	0.543	S	S	.	.	H	α-helix	trans	-72.7	-35.1	175.1	-58.3	-46.8	0	0	0	111.5	I401 C402 H415 K416 G421	I401-H419 HydrophobicContact CD1-CB 3.73Å; I401-H419 HydrophobicContact CG2-CB 4.18Å; C402-H419 PolarHBondContact SG-NE2 3.49Å; C402-H419 VanDerWaalsContact SG-NE2 3.44Å; H415-H419 AromaticContact CD2-NE2 3.79Å; H415-H419 AromaticContact CE1-CE1 3.89Å; H415-H419 AromaticContact CE1-NE2 3.42Å; H415-H419 PolarHBondContact CE1-NE2 3.06Å; H415-H419 AromaticContact NE2-CD2 3.82Å; H415-H419 AromaticContact NE2-CE1 3.86Å; H415-H419 AromaticContact NE2-NE2 2.98Å; H415-H419 PolarHBondContact NE2-NE2 3.15Å; K416-H419 PolarHBondContact O-N 2.99Å; K416-H419 VanDerWaalsContact O-N 3.14Å; H419-G421 PolarHBondContact O-N 2.74Å
420	A	62.9	Low	60.9	Low	57 Å²	57	96.1 Å²	96.1	47%	0.471	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	47.3	168.8	0	0	0	0	0	112.7	K416	K416-A420 PolarHBondContact O-N 2.98Å
421	G	50.5	Low	61	Low	50 Å²	50	99.2 Å²	99.2	52%	0.515	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-41	-179.8	0	0	0	0	0	113	H419 A423	H419-G421 PolarHBondContact O-N 2.74Å; G421-A423 PolarHBondContact O-N 2.73Å
422	D	47.7	Very low	61.2	Low	170 Å²	170	95.3 Å²	95.3	91%	0.909	51%	0.507	S	S	*	.	S	Bend	trans	-103.2	40.7	-165.1	-55.3	-65.5	0	0	0	113.3
423	A	43.5	Very low	61	Low	59 Å²	59	98.5 Å²	98.5	49%	0.488	53%	0.529	S	S	.	.	S	Bend	trans	-127.7	126.3	172.7	0	0	0	0	0	110.8	G421 I425	G421-A423 PolarHBondContact O-N 2.73Å; A423-I425 PolarHBondContact O-N 3.33Å
424	P	45.3	Very low	60.9	Low	133 Å²	133	98.8 Å²	98.8	86%	0.864	52%	0.524	S	S	*	.			trans	-66.7	87.4	-179.8	-23.3	35.1	0	0	0	113.7	P426	P424-P426 WeakPolarHBondContact O-CD 3.43Å
425	I	40.8	Very low	60.8	Low	123 Å²	123	96.6 Å²	96.6	63%	0.631	51%	0.513	S	S	*	.			trans	-59.3	122.9	171.6	-58.2	174.4	0	0	0	108.8	A423 K427	A423-I425 PolarHBondContact O-N 3.33Å; I425-K427 PolarHBondContact O-N 3.25Å
426	P	42.5	Very low	60.4	Low	120 Å²	120	100.9 Å²	100.9	78%	0.779	54%	0.536	S	S	*	.			trans	-68.2	92.7	177.5	26.9	-34	0	0	0	110.2	P424 K428	P424-P426 WeakPolarHBondContact O-CD 3.43Å; P426-K428 PolarHBondContact O-N 2.9Å
427	K	49.1	Very low	60.4	Low	154 Å²	154	102.6 Å²	102.6	67%	0.67	54%	0.544	S	S	*	.			trans	-62.7	122.6	174.8	-68.7	154	-169.9	159.4	0	107.3	I425 E429	I425-K427 PolarHBondContact O-N 3.25Å; K427-E429 HydrophobicContact CB-CG 4.25Å; K427-E429 PolarHBondContact O-N 3.1Å
428	K	53.3	Low	60.6	Low	192 Å²	192	99.9 Å²	99.9	84%	0.835	54%	0.536	S	S	*	.			trans	-72	79.9	173	-75.3	-170.8	174.8	-177.6	0	109.7	P426 H430	P426-K428 PolarHBondContact O-N 2.9Å; K428-H430 PolarHBondContact O-CE1 3.05Å; K428-H430 VanDerWaalsContact O-CE1 3.26Å; K428-H430 PolarHBondContact O-NE2 3.31Å
429	E	60.4	Low	60.9	Low	98 Å²	98	93.3 Å²	93.3	46%	0.458	51%	0.508	S	S	.	.			trans	-65	146.1	-178	-71.7	172.7	168.8	0	0	111.6	K427 L438	K427-E429 HydrophobicContact CB-CG 4.25Å; K427-E429 PolarHBondContact O-N 3.1Å; E429-L438 HydrophobicContact CB-CD2 3.9Å
430	H	68.8	Low	61.2	Low	50 Å²	50	94.3 Å²	94.3	23%	0.231	53%	0.527	C	S	.	.			trans	-114	94.6	-177.4	-65.5	-38.6	0	0	0	109.8	K428 H439 K442 L445	K428-H430 PolarHBondContact O-CE1 3.05Å; K428-H430 VanDerWaalsContact O-CE1 3.26Å; K428-H430 PolarHBondContact O-NE2 3.31Å; H430-H439 PolarHBondContact N-O 3.16Å; H430-H439 PolarHBondContact O-N 3.08Å; H430-K442 WeakPolarHBondContact CD2-CG 3.42Å; H430-K442 PolarHBondContact CD2-N 3.42Å; H430-K442 VanDerWaalsContact CE1-CE 3.4Å; H430-K442 WeakPolarHBondContact CE1-CE 3.47Å; H430-K442 WeakPolarHBondContact NE2-CE 3.29Å; H430-K442 VanDerWaalsContact NE2-CG 3.33Å; H430-K442 WeakPolarHBondContact NE2-CG 3.28Å; H430-L445 HydrophobicContact CB-CD2 3.93Å
431	K	73.5	Confident	61.9	Low	140 Å²	140	93.8 Å²	93.8	61%	0.609	52%	0.521	S	S	*	.			trans	-53.8	139.6	170.2	-65.3	-176	-179.8	-167.2	0	110.5	K437 L438	K431-K437 WeakPolarHBondContact CA-O 3.49Å; K431-L438 HydrophobicContact CD-CD2 4.35Å; K431-L438 HydrophobicContact CG-CD2 3.5Å; K431-L438 VanDerWaalsContact CG-CD2 3.5Å
432	C	73.1	Confident	63.1	Low	0 Å²	0	97 Å²	97	0%	0	52%	0.52	C	S	.	.			trans	-78.1	127.1	168.4	-172.8	0	0	0	0	110.2	F434 C435 N436 K437 L445	C432-F434 PolarHBondContact O-N 2.63Å; C432-F434 VanDerWaalsContact O-N 3.14Å; C432-C435 VanDerWaalsContact CB-SG 3.56Å; C432-C435 VanDerWaalsContact SG-SG 3.65Å; C432-N436 WeakPolarHBondContact O-CA 3.33Å; C432-N436 PolarHBondContact O-N 2.8Å; C432-K437 PolarHBondContact N-O 3.43Å; C432-L445 HydrophobicContact CB-CD1 3.61Å
433	P	71.4	Confident	64.4	Low	83 Å²	83	97 Å²	97	54%	0.539	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.3	-179.9	-25.2	35.5	0	0	0	115.1	F460	P433-F460 HydrophobicContact CG-CD2 4.13Å; P433-F460 HydrophobicContact CG-CE2 3.84Å
434	F	70.1	Confident	66	Low	74 Å²	74	97.2 Å²	97.2	33%	0.325	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-10.6	-170.3	-48.9	-75.3	0	0	0	114.2	C432 V449 H453 H456 F460	C432-F434 PolarHBondContact O-N 2.63Å; C432-F434 VanDerWaalsContact O-N 3.14Å; F434-V449 HydrophobicContact CE2-CG1 4.32Å; F434-H453 HydrophobicContact CD2-CB 4.46Å; F434-H456 HydrophobicContact CD1-CB 4.08Å; F434-H456 AromaticContact CD1-CD2 4Å; F434-H456 AromaticContact CD1-CG 3.99Å; F434-H456 HydrophobicContact CD2-CB 4.47Å; F434-H456 HydrophobicContact CE1-CB 3.62Å; F434-H456 AromaticContact CE1-CG 3.72Å; F434-H456 HydrophobicContact CE2-CB 4.04Å; F434-H456 HydrophobicContact CG-CB 4.49Å; F434-H456 HydrophobicContact CZ-CB 3.6Å; F434-F460 HydrophobicContact CE2-CB 3.95Å; F434-F460 AromaticContact CE2-CD2 3.81Å; F434-F460 HydrophobicContact CE2-CD2 3.81Å; F434-F460 HydrophobicContact CE2-CG 4.13Å; F434-F460 HydrophobicContact CZ-CB 4.19Å; F434-F460 HydrophobicContact CZ-CD2 4.39Å
435	C	72.8	Confident	67.6	Low	54 Å²	54	91 Å²	91	37%	0.365	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.4	10.3	179.3	67.9	0	0	0	0	113.8	C432 K437 H448 H453	C432-C435 VanDerWaalsContact CB-SG 3.56Å; C432-C435 VanDerWaalsContact SG-SG 3.65Å; C435-K437 PolarHBondContact O-N 3.4Å; C435-H448 PolarHBondContact SG-NE2 2.96Å; C435-H453 PolarHBondContact SG-NE2 2.82Å
436	N	64.9	Low	69.3	Low	115 Å²	115	85.7 Å²	85.7	62%	0.615	44%	0.442	S	S	*	.			trans	55.9	-3.4	-178.3	-69.1	-54.5	0	0	0	117.7	C432 L438	C432-N436 WeakPolarHBondContact O-CA 3.33Å; C432-N436 PolarHBondContact O-N 2.8Å; N436-L438 PolarHBondContact O-N 2.88Å
437	K	72.5	Confident	71	Confident	101 Å²	101	87.5 Å²	87.5	44%	0.439	44%	0.438	S	S	.	.			trans	-55.9	131.2	-174.8	-152.9	152.7	-164.1	157.7	0	112.2	N53 K431 C432 C435 H439	N53-K437 PolarHBondContact OD1-NZ 3.21Å; K431-K437 WeakPolarHBondContact CA-O 3.49Å; C432-K437 PolarHBondContact N-O 3.43Å; C435-K437 PolarHBondContact O-N 3.4Å; K437-H439 PolarHBondContact O-CD2 3.38Å
438	L	74.3	Confident	72.5	Confident	91 Å²	91	81.2 Å²	81.2	48%	0.476	41%	0.411	S	S	.	.			trans	-80.4	137.1	-174.8	-67.9	164.1	0	0	0	111.1	E429 K431 N436	E429-L438 HydrophobicContact CB-CD2 3.9Å; K431-L438 HydrophobicContact CD-CD2 4.35Å; K431-L438 HydrophobicContact CG-CD2 3.5Å; K431-L438 VanDerWaalsContact CG-CD2 3.5Å; N436-L438 PolarHBondContact O-N 2.88Å
439	H	73.4	Confident	73.7	Confident	28 Å²	28	72.1 Å²	72.1	13%	0.13	37%	0.371	C	S	.	.			trans	-135.5	128.4	177.7	-61.9	-64.6	0	0	0	112.4	H430 K437 S441 L445 H448	H430-H439 PolarHBondContact N-O 3.16Å; H430-H439 PolarHBondContact O-N 3.08Å; K437-H439 PolarHBondContact O-CD2 3.38Å; H439-S441 PolarHBondContact O-N 3.4Å; H439-L445 HydrophobicContact CB-CB 4Å; H439-H448 AromaticContact CE1-CD2 3.89Å; H439-H448 AromaticContact CE1-CG 3.59Å; H439-H448 AromaticContact NE2-CD2 3.15Å; H439-H448 PolarHBondContact NE2-CD2 2.74Å; H439-H448 AromaticContact NE2-CG 3.32Å; H439-H448 VanDerWaalsContact NE2-CG 3.32Å
440	A	75.4	Confident	74.4	Confident	88 Å²	88	74.7 Å²	74.7	73%	0.727	38%	0.376	S	S	*	.	S	Bend	trans	-63.7	0.2	176.7	0	0	0	0	0	115.3
441	S	76.7	Confident	74.7	Confident	47 Å²	47	82 Å²	82	33%	0.329	40%	0.402	S	S	.	.	S	Bend	trans	-160.1	148.8	175.7	-170.2	0	0	0	0	113	H439 K443 T444 L445	H439-S441 PolarHBondContact O-N 3.4Å; S441-K443 PolarHBondContact O-N 3.32Å; S441-K443 VanDerWaalsContact O-N 3.12Å; S441-K443 PolarHBondContact OG-N 3.47Å; S441-T444 PolarHBondContact N-OG1 2.91Å; S441-T444 PolarHBondContact O-N 3.02Å; S441-T444 PolarHBondContact O-OG1 3.34Å; S441-L445 PolarHBondContact O-N 3.33Å; S441-L445 VanDerWaalsContact O-N 3.07Å
442	K	75.8	Confident	74.5	Confident	118 Å²	118	81.6 Å²	81.6	51%	0.513	40%	0.4	S	S	.	.	H	α-helix	trans	-58.5	-25.4	169.2	-58.4	-171	-178.5	-177.3	0	111.6	H430 A446	H430-K442 WeakPolarHBondContact CD2-CG 3.42Å; H430-K442 PolarHBondContact CD2-N 3.42Å; H430-K442 VanDerWaalsContact CE1-CE 3.4Å; H430-K442 WeakPolarHBondContact CE1-CE 3.47Å; H430-K442 WeakPolarHBondContact NE2-CE 3.29Å; H430-K442 VanDerWaalsContact NE2-CG 3.33Å; H430-K442 WeakPolarHBondContact NE2-CG 3.28Å; K442-A446 WeakPolarHBondContact O-CB 3.17Å; K442-A446 PolarHBondContact O-N 3.49Å
443	K	74.3	Confident	74.7	Confident	168 Å²	168	83.3 Å²	83.3	73%	0.73	41%	0.408	S	S	*	.	H	α-helix	trans	-75	-32.9	175.3	-73.7	-175.9	178.3	176.9	0	113.9	S441 K447	S441-K443 PolarHBondContact O-N 3.32Å; S441-K443 VanDerWaalsContact O-N 3.12Å; S441-K443 PolarHBondContact OG-N 3.47Å; K443-K447 WeakPolarHBondContact O-CG 3.37Å; K443-K447 PolarHBondContact O-N 3.43Å
444	T	77	Confident	74.6	Confident	65 Å²	65	83 Å²	83	40%	0.399	41%	0.406	S	S	.	.	H	α-helix	trans	-79.9	-41.7	177.2	40.1	0	0	0	0	110.6	S441 A446 K447 H448	S441-T444 PolarHBondContact N-OG1 2.91Å; S441-T444 PolarHBondContact O-N 3.02Å; S441-T444 PolarHBondContact O-OG1 3.34Å; T444-A446 PolarHBondContact O-N 3.32Å; T444-K447 WeakPolarHBondContact O-CB 3.5Å; T444-K447 PolarHBondContact O-N 3.03Å; T444-H448 PolarHBondContact O-N 2.97Å
445	L	79.9	Confident	74.5	Confident	1 Å²	1	85.7 Å²	85.7	1%	0.005	42%	0.424	C	S	.	.	H	α-helix	trans	-53.5	-50	167	172.2	58.2	0	0	0	111.6	H430 C432 H439 S441 K447 H448 V449 F460	H430-L445 HydrophobicContact CB-CD2 3.93Å; C432-L445 HydrophobicContact CB-CD1 3.61Å; H439-L445 HydrophobicContact CB-CB 4Å; S441-L445 PolarHBondContact O-N 3.33Å; S441-L445 VanDerWaalsContact O-N 3.07Å; L445-K447 PolarHBondContact O-N 3.3Å; L445-K447 VanDerWaalsContact O-N 3.1Å; L445-H448 PolarHBondContact O-N 3.04Å; L445-H448 VanDerWaalsContact O-N 3.08Å; L445-V449 HydrophobicContact CD1-CG2 3.71Å; L445-V449 HydrophobicContact CG-CG2 4.41Å; L445-V449 WeakPolarHBondContact O-CG2 3.44Å; L445-V449 PolarHBondContact O-N 2.8Å; L445-F460 HydrophobicContact CD1-CZ 4.38Å; L445-F460 HydrophobicContact CD2-CZ 3.86Å; L445-F460 HydrophobicContact CG-CZ 3.92Å
446	A	75.7	Confident	74	Confident	13 Å²	13	87 Å²	87	11%	0.107	42%	0.424	C	S	.	.	H	α-helix	trans	-70.9	-0.2	177.5	0	0	0	0	0	115.1	K442 T444 R450 F461	K442-A446 WeakPolarHBondContact O-CB 3.17Å; K442-A446 PolarHBondContact O-N 3.49Å; T444-A446 PolarHBondContact O-N 3.32Å; A446-R450 VanDerWaalsContact O-CZ 3.3Å; A446-R450 PolarHBondContact O-NE 2.96Å; A446-R450 PolarHBondContact O-NH2 2.83Å; A446-F461 HydrophobicContact CB-CE1 3.94Å; A446-F461 HydrophobicContact CB-CZ 4.1Å
447	K	78.8	Confident	74.1	Confident	158 Å²	158	83 Å²	83	69%	0.687	41%	0.405	S	S	*	.	H	α-helix	trans	-99.1	-37.4	164.5	-80.6	-175.3	174.1	-170.1	0	111.5	K443 T444 L445 R450 R451	K443-K447 WeakPolarHBondContact O-CG 3.37Å; K443-K447 PolarHBondContact O-N 3.43Å; T444-K447 WeakPolarHBondContact O-CB 3.5Å; T444-K447 PolarHBondContact O-N 3.03Å; L445-K447 PolarHBondContact O-N 3.3Å; L445-K447 VanDerWaalsContact O-N 3.1Å; K447-R450 PolarHBondContact O-N 3.02Å; K447-R451 WeakPolarHBondContact O-CB 3.47Å; K447-R451 PolarHBondContact O-N 3.46Å
448	H	79.9	Confident	73.7	Confident	22 Å²	22	86 Å²	86	10%	0.102	42%	0.42	C	S	.	.	H	α-helix	trans	-65.1	-50.7	176.4	161.8	72	0	0	0	111.7	C435 H439 T444 L445 R450 R451 F452 H453	C435-H448 PolarHBondContact SG-NE2 2.96Å; H439-H448 AromaticContact CE1-CD2 3.89Å; H439-H448 AromaticContact CE1-CG 3.59Å; H439-H448 AromaticContact NE2-CD2 3.15Å; H439-H448 PolarHBondContact NE2-CD2 2.74Å; H439-H448 AromaticContact NE2-CG 3.32Å; H439-H448 VanDerWaalsContact NE2-CG 3.32Å; T444-H448 PolarHBondContact O-N 2.97Å; L445-H448 PolarHBondContact O-N 3.04Å; L445-H448 VanDerWaalsContact O-N 3.08Å; H448-R450 PolarHBondContact O-N 3.4Å; H448-R451 PolarHBondContact O-N 2.87Å; H448-F452 AromaticContact CE1-CD2 3.79Å; H448-F452 AromaticContact CE1-CG 3.87Å; H448-F452 AromaticContact ND1-CD2 3.15Å; H448-F452 WeakPolarHBondContact ND1-CD2 3.48Å; H448-F452 AromaticContact ND1-CE2 3.82Å; H448-F452 AromaticContact ND1-CG 3.72Å; H448-F452 WeakPolarHBondContact O-CD2 3.07Å; H448-F452 PolarHBondContact O-N 3Å; H448-H453 AromaticContact CE1-NE2 3.99Å; H448-H453 AromaticContact NE2-CD2 3.73Å; H448-H453 AromaticContact NE2-NE2 3.53Å
449	V	78.3	Confident	73.2	Confident	0 Å²	0	87.2 Å²	87.2	0%	0	42%	0.423	C	S	.	.	H	α-helix	trans	-55	-41.5	175.9	-179.9	0	0	0	0	111	F434 L445 R451 H453 T457 F460	F434-V449 HydrophobicContact CE2-CG1 4.32Å; L445-V449 HydrophobicContact CD1-CG2 3.71Å; L445-V449 HydrophobicContact CG-CG2 4.41Å; L445-V449 WeakPolarHBondContact O-CG2 3.44Å; L445-V449 PolarHBondContact O-N 2.8Å; V449-R451 PolarHBondContact O-N 3.27Å; V449-R451 VanDerWaalsContact O-N 3.15Å; V449-H453 HydrophobicContact CG1-CB 4.23Å; V449-H453 CarbonylContact O-C 3.54Å; V449-H453 VanDerWaalsContact O-C 3.26Å; V449-H453 WeakPolarHBondContact O-CA 3.1Å; V449-H453 PolarHBondContact O-N 3.27Å; V449-T457 HydrophobicContact CG1-CG2 4.15Å; V449-F460 HydrophobicContact CB-CD1 4.26Å; V449-F460 HydrophobicContact CB-CE1 4.42Å; V449-F460 HydrophobicContact CG1-CB 4.2Å; V449-F460 HydrophobicContact CG1-CD1 3.95Å; V449-F460 HydrophobicContact CG1-CG 4.11Å; V449-F460 HydrophobicContact CG2-CD1 4.15Å; V449-F460 HydrophobicContact CG2-CE1 3.98Å; V449-F460 HydrophobicContact CG2-CG 4.5Å; V449-F460 HydrophobicContact CG2-CZ 4.19Å
450	R	76.1	Confident	72.9	Confident	152 Å²	152	86.5 Å²	86.5	57%	0.574	42%	0.42	S	S	*	.	H	α-helix	trans	-69.9	-2	175.6	-90.2	-173.4	-71.3	-150.6	-8.1	116.7	A446 K447 H448 T457 F461	A446-R450 VanDerWaalsContact O-CZ 3.3Å; A446-R450 PolarHBondContact O-NE 2.96Å; A446-R450 PolarHBondContact O-NH2 2.83Å; K447-R450 PolarHBondContact O-N 3.02Å; H448-R450 PolarHBondContact O-N 3.4Å; R450-T457 HydrophobicContact CB-CG2 4.35Å; R450-T457 HydrophobicContact CG-CG2 3.7Å; R450-F461 HydrophobicContact CG-CE2 3.72Å; R450-F461 HydrophobicContact CG-CZ 4.12Å
451	R	74.2	Confident	72.5	Confident	205 Å²	205	85.4 Å²	85.4	77%	0.774	40%	0.399	S	S	*	.	H	α-helix	trans	-126.5	-17.7	-177.6	-172.5	170.3	178.7	125.2	0.8	113.4	K447 H448 V449	K447-R451 WeakPolarHBondContact O-CB 3.47Å; K447-R451 PolarHBondContact O-N 3.46Å; H448-R451 PolarHBondContact O-N 2.87Å; V449-R451 PolarHBondContact O-N 3.27Å; V449-R451 VanDerWaalsContact O-N 3.15Å
452	F	70.8	Confident	71.9	Confident	131 Å²	131	85.7 Å²	85.7	58%	0.575	40%	0.404	S	S	*	.	H	α-helix	trans	-130	-11.8	-175.5	-64	-85.6	0	0	0	114	H448	H448-F452 AromaticContact CE1-CD2 3.79Å; H448-F452 AromaticContact CE1-CG 3.87Å; H448-F452 AromaticContact ND1-CD2 3.15Å; H448-F452 WeakPolarHBondContact ND1-CD2 3.48Å; H448-F452 AromaticContact ND1-CE2 3.82Å; H448-F452 AromaticContact ND1-CG 3.72Å; H448-F452 WeakPolarHBondContact O-CD2 3.07Å; H448-F452 PolarHBondContact O-N 3Å
453	H	77.3	Confident	71.2	Confident	35 Å²	35	84.6 Å²	84.6	16%	0.162	42%	0.417	C	S	.	.			trans	-138.1	59.9	176.7	-55.9	-65.5	0	0	0	110.3	F434 C435 H448 V449 D455 H456 T457	F434-H453 HydrophobicContact CD2-CB 4.46Å; C435-H453 PolarHBondContact SG-NE2 2.82Å; H448-H453 AromaticContact CE1-NE2 3.99Å; H448-H453 AromaticContact NE2-CD2 3.73Å; H448-H453 AromaticContact NE2-NE2 3.53Å; V449-H453 HydrophobicContact CG1-CB 4.23Å; V449-H453 CarbonylContact O-C 3.54Å; V449-H453 VanDerWaalsContact O-C 3.26Å; V449-H453 WeakPolarHBondContact O-CA 3.1Å; V449-H453 PolarHBondContact O-N 3.27Å; H453-D455 VanDerWaalsContact C-N 3.29Å; H453-D455 PolarHBondContact O-N 2.73Å; H453-H456 PolarHBondContact O-N 2.87Å; H453-T457 WeakPolarHBondContact O-CG2 3.42Å; H453-T457 PolarHBondContact O-N 3.34Å
454	P	67.8	Low	70.4	Confident	76 Å²	76	82.6 Å²	82.6	49%	0.494	41%	0.405	S	S	.	.	S	Bend	trans	-57.2	-41.6	-170.9	22.8	-31.2	0	0	0	112.5	T457	P454-T457 VanDerWaalsContact O-CB 3.28Å; P454-T457 WeakPolarHBondContact O-CB 3.3Å; P454-T457 VanDerWaalsContact O-CG2 3.31Å; P454-T457 WeakPolarHBondContact O-CG2 3.47Å; P454-T457 PolarHBondContact O-N 3.02Å; P454-T457 VanDerWaalsContact O-N 3.08Å; P454-T457 PolarHBondContact O-OG1 3.01Å
455	D	68.3	Low	69.2	Low	131 Å²	131	87.9 Å²	87.9	70%	0.701	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-47	-173	-41.2	-74	0	0	0	111	H453 T457	H453-D455 VanDerWaalsContact C-N 3.29Å; H453-D455 PolarHBondContact O-N 2.73Å; D455-T457 PolarHBondContact O-N 2.62Å
456	H	63.2	Low	68	Low	81 Å²	81	97.5 Å²	97.5	38%	0.375	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	2.6	174.5	-59.7	-63.5	0	0	0	114.3	F434 H453 Q458 E459 F460	F434-H456 HydrophobicContact CD1-CB 4.08Å; F434-H456 AromaticContact CD1-CD2 4Å; F434-H456 AromaticContact CD1-CG 3.99Å; F434-H456 HydrophobicContact CD2-CB 4.47Å; F434-H456 HydrophobicContact CE1-CB 3.62Å; F434-H456 AromaticContact CE1-CG 3.72Å; F434-H456 HydrophobicContact CE2-CB 4.04Å; F434-H456 HydrophobicContact CG-CB 4.49Å; F434-H456 HydrophobicContact CZ-CB 3.6Å; H453-H456 PolarHBondContact O-N 2.87Å; H456-Q458 VanDerWaalsContact C-N 3.31Å; H456-Q458 PolarHBondContact O-N 3.19Å; H456-E459 IonicContact CE1-OE2 2.68Å; H456-E459 IonicContact CG-OE2 2.69Å; H456-E459 IonicContact ND1-OE2 3.59Å; H456-E459 PolarHBondContact ND1-OE2 3.07Å; H456-F460 VanDerWaalsContact O-CB 3.24Å; H456-F460 WeakPolarHBondContact O-CB 3.27Å; H456-F460 PolarHBondContact O-N 2.89Å
457	T	67.3	Low	66.8	Low	33 Å²	33	106.3 Å²	106.3	20%	0.202	50%	0.5	C	S	.	.	H	α-helix	trans	-61.6	-41.7	175.7	58.4	0	0	0	0	111.8	V449 R450 H453 P454 D455 E459 F460 F461	V449-T457 HydrophobicContact CG1-CG2 4.15Å; R450-T457 HydrophobicContact CB-CG2 4.35Å; R450-T457 HydrophobicContact CG-CG2 3.7Å; H453-T457 WeakPolarHBondContact O-CG2 3.42Å; H453-T457 PolarHBondContact O-N 3.34Å; P454-T457 VanDerWaalsContact O-CB 3.28Å; P454-T457 WeakPolarHBondContact O-CB 3.3Å; P454-T457 VanDerWaalsContact O-CG2 3.31Å; P454-T457 WeakPolarHBondContact O-CG2 3.47Å; P454-T457 PolarHBondContact O-N 3.02Å; P454-T457 VanDerWaalsContact O-N 3.08Å; P454-T457 PolarHBondContact O-OG1 3.01Å; D455-T457 PolarHBondContact O-N 2.62Å; T457-E459 PolarHBondContact O-N 3.15Å; T457-F460 PolarHBondContact O-N 2.88Å; T457-F461 WeakPolarHBondContact O-CD2 3.28Å; T457-F461 PolarHBondContact O-N 3.23Å
458	Q	62.5	Low	65.6	Low	162 Å²	162	104.2 Å²	104.2	76%	0.757	51%	0.505	S	S	*	.	H	α-helix	trans	-64	-44.3	-174.9	-172.5	150.7	-57.7	0	0	110.5	H456 A462	H456-Q458 VanDerWaalsContact C-N 3.31Å; H456-Q458 PolarHBondContact O-N 3.19Å; Q458-A462 WeakPolarHBondContact O-CB 3.25Å; Q458-A462 PolarHBondContact O-N 3.35Å
459	E	64	Low	64.6	Low	117 Å²	117	110 Å²	110	55%	0.547	53%	0.532	S	S	.	.	H	α-helix	trans	-66	-48.7	175.6	-57.4	178.6	131.4	0	0	111.9	H456 T457 F461 A462 A463	H456-E459 IonicContact CE1-OE2 2.68Å; H456-E459 IonicContact CG-OE2 2.69Å; H456-E459 IonicContact ND1-OE2 3.59Å; H456-E459 PolarHBondContact ND1-OE2 3.07Å; T457-E459 PolarHBondContact O-N 3.15Å; E459-F461 VanDerWaalsContact C-N 3.26Å; E459-F461 PolarHBondContact O-N 3.4Å; E459-A462 PolarHBondContact O-N 2.94Å; E459-A462 VanDerWaalsContact O-N 3.1Å; E459-A463 WeakPolarHBondContact O-CB 3.4Å; E459-A463 PolarHBondContact O-N 2.89Å
460	F	67.6	Low	64.1	Low	14 Å²	14	111.5 Å²	111.5	6%	0.061	55%	0.548	C	S	.	.	H	α-helix	trans	-62.1	-31.1	-179.1	-179.2	-101.2	0	0	0	113.4	P433 F434 L445 V449 H456 T457	P433-F460 HydrophobicContact CG-CD2 4.13Å; P433-F460 HydrophobicContact CG-CE2 3.84Å; F434-F460 HydrophobicContact CE2-CB 3.95Å; F434-F460 AromaticContact CE2-CD2 3.81Å; F434-F460 HydrophobicContact CE2-CD2 3.81Å; F434-F460 HydrophobicContact CE2-CG 4.13Å; F434-F460 HydrophobicContact CZ-CB 4.19Å; F434-F460 HydrophobicContact CZ-CD2 4.39Å; L445-F460 HydrophobicContact CD1-CZ 4.38Å; L445-F460 HydrophobicContact CD2-CZ 3.86Å; L445-F460 HydrophobicContact CG-CZ 3.92Å; V449-F460 HydrophobicContact CB-CD1 4.26Å; V449-F460 HydrophobicContact CB-CE1 4.42Å; V449-F460 HydrophobicContact CG1-CB 4.2Å; V449-F460 HydrophobicContact CG1-CD1 3.95Å; V449-F460 HydrophobicContact CG1-CG 4.11Å; V449-F460 HydrophobicContact CG2-CD1 4.15Å; V449-F460 HydrophobicContact CG2-CE1 3.98Å; V449-F460 HydrophobicContact CG2-CG 4.5Å; V449-F460 HydrophobicContact CG2-CZ 4.19Å; H456-F460 VanDerWaalsContact O-CB 3.24Å; H456-F460 WeakPolarHBondContact O-CB 3.27Å; H456-F460 PolarHBondContact O-N 2.89Å; T457-F460 PolarHBondContact O-N 2.88Å
461	F	66.4	Low	64.2	Low	65 Å²	65	109.7 Å²	109.7	29%	0.285	54%	0.541	S	S	.	.	H	α-helix	trans	-85.3	-32.3	171.6	-66.6	-58	0	0	0	113.1	A446 R450 T457 E459 R464 K465	A446-F461 HydrophobicContact CB-CE1 3.94Å; A446-F461 HydrophobicContact CB-CZ 4.1Å; R450-F461 HydrophobicContact CG-CE2 3.72Å; R450-F461 HydrophobicContact CG-CZ 4.12Å; T457-F461 WeakPolarHBondContact O-CD2 3.28Å; T457-F461 PolarHBondContact O-N 3.23Å; E459-F461 VanDerWaalsContact C-N 3.26Å; E459-F461 PolarHBondContact O-N 3.4Å; F461-R464 CarbonylContact O-C 3.41Å; F461-R464 PolarHBondContact O-N 3.45Å; F461-R464 VanDerWaalsContact O-N 3.16Å; F461-K465 PolarHBondContact O-N 3.23Å
462	A	64.4	Low	64.5	Low	53 Å²	53	105.1 Å²	105.1	44%	0.438	53%	0.527	S	S	.	.	H	α-helix	trans	-61.5	-49.8	173.3	0	0	0	0	0	111.6	Q458 E459 R464 K465	Q458-A462 WeakPolarHBondContact O-CB 3.25Å; Q458-A462 PolarHBondContact O-N 3.35Å; E459-A462 PolarHBondContact O-N 2.94Å; E459-A462 VanDerWaalsContact O-N 3.1Å; A462-R464 PolarHBondContact O-N 3.45Å; A462-K465 WeakPolarHBondContact O-CB 3.37Å; A462-K465 PolarHBondContact O-N 3.14Å
463	A	61.3	Low	65	Low	94 Å²	94	99 Å²	99	78%	0.777	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-7.6	174.4	0	0	0	0	0	114.1	E459	E459-A463 WeakPolarHBondContact O-CB 3.4Å; E459-A463 PolarHBondContact O-N 2.89Å
464	R	58.4	Low	65	Low	126 Å²	126	101.9 Å²	101.9	48%	0.475	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	9.4	175.3	-73.8	-173.9	161.5	179.1	1.3	114.3	F461 A462 K466	F461-R464 CarbonylContact O-C 3.41Å; F461-R464 PolarHBondContact O-N 3.45Å; F461-R464 VanDerWaalsContact O-N 3.16Å; A462-R464 PolarHBondContact O-N 3.45Å; R464-K466 VanDerWaalsContact C-N 3.25Å; R464-K466 PolarHBondContact O-N 2.97Å
465	K	51.8	Low	65.5	Low	177 Å²	177	103.4 Å²	103.4	77%	0.77	53%	0.533	S	S	*	.			trans	-72.7	70	174.5	-81.1	-174.7	175.1	178.4	0	112.9	F461 A462	F461-K465 PolarHBondContact O-N 3.23Å; A462-K465 WeakPolarHBondContact O-CB 3.37Å; A462-K465 PolarHBondContact O-N 3.14Å
466	K	53.8	Low	66	Low	203 Å²	203	99.4 Å²	99.4	88%	0.883	51%	0.514	S	S	*	.			trans	-142.4	43.2	158	-132.5	173	-170.9	176.8	0	113.1	R464	R464-K466 VanDerWaalsContact C-N 3.25Å; R464-K466 PolarHBondContact O-N 2.97Å
467	K	51	Low	66.5	Low	197 Å²	197	100.2 Å²	100.2	86%	0.857	53%	0.529	S	S	*	.	S	Bend	trans	-136.3	133.4	161.2	-67.6	-157.3	174.2	-154.3	0	110.5
468	S	53	Low	67	Low	115 Å²	115	104.5 Å²	104.5	80%	0.804	55%	0.545	S	S	*	.			trans	-15.2	130.9	177.9	56.8	0	0	0	0	116.7	G470	S468-G470 PolarHBondContact O-N 2.67Å
469	E	58.3	Low	67.8	Low	144 Å²	144	101.6 Å²	101.6	67%	0.673	54%	0.539	S	S	*	.			trans	-51	139.8	164.2	-66.7	-143.6	104.1	0	0	111.3	K472	E469-K472 WeakPolarHBondContact OE1-CE 3.41Å; E469-K472 IonicContact OE1-NZ 3.58Å; E469-K472 PolarHBondContact OE1-NZ 2.98Å; E469-K472 IonicContact OE2-NZ 2.75Å; E469-K472 PolarHBondContact OE2-NZ 3.12Å
470	G	68.7	Low	68.7	Low	31 Å²	31	98 Å²	98	32%	0.32	52%	0.521	S	S	.	.			trans	-66.6	145.1	170.1	0	0	0	0	0	110.3	S468 K472 F480	S468-G470 PolarHBondContact O-N 2.67Å; G470-K472 PolarHBondContact O-N 3.16Å; G470-F480 CarbonylContact C-O 3.59Å
471	W	78.2	Confident	69.3	Low	114 Å²	114	102.3 Å²	102.3	43%	0.432	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-65.9	104.4	178.8	-67.1	86.2	0	0	0	109.2	F480 R483 L486	W471-F480 HydrophobicContact CB-CB 4.42Å; W471-F480 PolarHBondContact N-O 3.17Å; W471-F480 PolarHBondContact O-N 3.25Å; W471-R483 VanDerWaalsContact CD1-N 3.34Å; W471-R483 HydrophobicContact CD2-CB 3.74Å; W471-R483 HydrophobicContact CD2-CG 4.11Å; W471-R483 HydrophobicContact CE3-CB 4.1Å; W471-R483 HydrophobicContact CE3-CG 3.93Å; W471-R483 HydrophobicContact CG-CB 4.18Å; W471-R483 HydrophobicContact CH2-CB 4.45Å; W471-R483 HydrophobicContact CH2-CG 4.4Å; W471-R483 HydrophobicContact CZ2-CB 4.09Å; W471-R483 HydrophobicContact CZ3-CB 4.45Å; W471-R483 HydrophobicContact CZ3-CG 4.1Å; W471-L486 HydrophobicContact CB-CB 3.98Å; W471-L486 HydrophobicContact CB-CD2 3.8Å
472	K	80.8	Confident	69.9	Low	109 Å²	109	107 Å²	107	47%	0.474	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.8	136.3	-178	-64.9	157.1	-170.4	163.8	0	110.2	E469 G470 T479 L486	E469-K472 WeakPolarHBondContact OE1-CE 3.41Å; E469-K472 IonicContact OE1-NZ 3.58Å; E469-K472 PolarHBondContact OE1-NZ 2.98Å; E469-K472 IonicContact OE2-NZ 2.75Å; E469-K472 PolarHBondContact OE2-NZ 3.12Å; G470-K472 PolarHBondContact O-N 3.16Å; K472-T479 HydrophobicContact CG-CG2 3.85Å; K472-L486 WeakPolarHBondContact O-CD2 3.38Å
473	C	80.5	Confident	70.6	Confident	2 Å²	2	111.5 Å²	111.5	1%	0.014	57%	0.574	C	S	.	*			trans	-73.8	125.4	166.6	176.4	0	0	0	0	110.5	I475 C476 S477 K478 F480 L486 H489 M490	C473-I475 VanDerWaalsContact C-N 3.29Å; C473-I475 PolarHBondContact O-N 3.27Å; C473-I475 PolarHBondContact SG-N 2.94Å; C473-C476 PolarHBondContact SG-N 3.04Å; C473-C476 VanDerWaalsContact SG-N 3.43Å; C473-S477 WeakPolarHBondContact O-CA 3.48Å; C473-S477 PolarHBondContact O-N 3.26Å; C473-K478 HydrophobicContact CB-CB 4.44Å; C473-K478 WeakPolarHBondContact CB-O 3.46Å; C473-K478 PolarHBondContact N-O 2.86Å; C473-F480 HydrophobicContact CB-CE2 4.27Å; C473-L486 HydrophobicContact CB-CD1 3.75Å; C473-H489 VanDerWaalsContact SG-CD2 3.53Å; C473-H489 PolarHBondContact SG-NE2 3.08Å; C473-M490 WeakPolarHBondContact SG-CE 3.12Å
474	A	77.9	Confident	71.4	Confident	95 Å²	95	111.3 Å²	111.3	79%	0.785	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-30.6	178.5	0	0	0	0	0	113.1
475	I	77.2	Confident	72.3	Confident	109 Å²	109	109.6 Å²	109.6	56%	0.559	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-28.5	-170.2	-58.8	174.4	0	0	0	112.7	C473 M490 H493	C473-I475 VanDerWaalsContact C-N 3.29Å; C473-I475 PolarHBondContact O-N 3.27Å; C473-I475 PolarHBondContact SG-N 2.94Å; I475-M490 HydrophobicContact CB-CE 4.28Å; I475-M490 HydrophobicContact CD1-CE 3.74Å; I475-M490 HydrophobicContact CG1-CE 3.99Å; I475-H493 HydrophobicContact CD1-CB 3.68Å; I475-H493 HydrophobicContact CG2-CB 4.36Å; I475-H493 WeakPolarHBondContact CG2-ND1 3.32Å
476	C	79.3	Confident	73.8	Confident	46 Å²	46	102 Å²	102	31%	0.311	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.6	24.1	177.4	82.3	0	0	0	0	115	C473 K478 H489 H493	C473-C476 PolarHBondContact SG-N 3.04Å; C473-C476 VanDerWaalsContact SG-N 3.43Å; C476-K478 PolarHBondContact O-N 3.31Å; C476-H489 PolarHBondContact SG-NE2 3.11Å; C476-H493 VanDerWaalsContact SG-CE1 3.51Å; C476-H493 PolarHBondContact SG-NE2 3.22Å
477	S	74.8	Confident	74.7	Confident	99 Å²	99	97.6 Å²	97.6	69%	0.692	51%	0.513	S	S	*	.			trans	57.2	5.4	169.4	-53.3	0	0	0	0	117.7	C473 T479	C473-S477 WeakPolarHBondContact O-CA 3.48Å; C473-S477 PolarHBondContact O-N 3.26Å; S477-T479 PolarHBondContact O-N 3.08Å
478	K	76.5	Confident	75.7	Confident	123 Å²	123	92 Å²	92	54%	0.535	49%	0.489	S	S	.	.			trans	-64.4	133.4	178.3	-73.1	176.5	-173.9	172.6	0	110.5	C473 C476 F480	C473-K478 HydrophobicContact CB-CB 4.44Å; C473-K478 WeakPolarHBondContact CB-O 3.46Å; C473-K478 PolarHBondContact N-O 2.86Å; C476-K478 PolarHBondContact O-N 3.31Å; K478-F480 HydrophobicContact CB-CE2 3.6Å; K478-F480 HydrophobicContact CB-CZ 3.85Å; K478-F480 WeakPolarHBondContact O-CD2 3.26Å; K478-F480 VanDerWaalsContact O-CE2 3.3Å; K478-F480 WeakPolarHBondContact O-CE2 3.23Å
479	T	80.6	Confident	76.8	Confident	101 Å²	101	87.4 Å²	87.4	62%	0.62	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	127.4	-176.8	40	0	0	0	0	111.7	K472 S477	K472-T479 HydrophobicContact CG-CG2 3.85Å; S477-T479 PolarHBondContact O-N 3.08Å
480	F	81.6	Confident	77.4	Confident	42 Å²	42	82.3 Å²	82.3	18%	0.184	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	140.4	-178.3	-63.4	-87	0	0	0	111.3	G470 W471 C473 K478 R482 H485 L486 H489	G470-F480 CarbonylContact C-O 3.59Å; W471-F480 HydrophobicContact CB-CB 4.42Å; W471-F480 PolarHBondContact N-O 3.17Å; W471-F480 PolarHBondContact O-N 3.25Å; C473-F480 HydrophobicContact CB-CE2 4.27Å; K478-F480 HydrophobicContact CB-CE2 3.6Å; K478-F480 HydrophobicContact CB-CZ 3.85Å; K478-F480 WeakPolarHBondContact O-CD2 3.26Å; K478-F480 VanDerWaalsContact O-CE2 3.3Å; K478-F480 WeakPolarHBondContact O-CE2 3.23Å; F480-R482 PolarHBondContact O-N 2.96Å; F480-H485 HydrophobicContact CB-CB 4.29Å; F480-H485 HydrophobicContact CD1-CB 3.96Å; F480-H485 HydrophobicContact CG-CB 4.46Å; F480-L486 HydrophobicContact CB-CB 4.1Å; F480-L486 HydrophobicContact CD2-CB 4.02Å; F480-L486 HydrophobicContact CD2-CD1 3.81Å; F480-L486 HydrophobicContact CE2-CD1 4.12Å; F480-L486 HydrophobicContact CG-CB 4.18Å; F480-H489 HydrophobicContact CE1-CB 3.84Å; F480-H489 HydrophobicContact CE2-CB 3.83Å; F480-H489 AromaticContact CE2-CD2 3.29Å; F480-H489 WeakPolarHBondContact CE2-CD2 3.45Å; F480-H489 AromaticContact CE2-CG 3.52Å; F480-H489 HydrophobicContact CZ-CB 3.43Å; F480-H489 VanDerWaalsContact CZ-CB 3.43Å; F480-H489 AromaticContact CZ-CD2 3.44Å; F480-H489 VanDerWaalsContact CZ-CD2 3.44Å; F480-H489 WeakPolarHBondContact CZ-CD2 3.48Å; F480-H489 AromaticContact CZ-CG 3.17Å; F480-H489 AromaticContact CZ-ND1 3.67Å
481	S	80.9	Confident	77.6	Confident	103 Å²	103	82 Å²	82	72%	0.72	42%	0.423	S	S	*	.	S	Bend	trans	-73.3	-10.7	-178.7	54.7	0	0	0	0	114.2
482	R	79.7	Confident	77	Confident	165 Å²	165	80.7 Å²	80.7	62%	0.623	42%	0.424	S	S	*	.	S	Bend	trans	-152.5	142.9	-178.2	-61.4	-176.6	168.1	175.8	-6.5	110.9	F480 H485 L486	F480-R482 PolarHBondContact O-N 2.96Å; R482-H485 PolarHBondContact O-N 2.77Å; R482-H485 VanDerWaalsContact O-N 3.12Å; R482-L486 PolarHBondContact O-N 2.86Å
483	R	78	Confident	76.4	Confident	147 Å²	147	78.2 Å²	78.2	56%	0.555	41%	0.414	S	S	*	.	H	α-helix	trans	-53.4	-41.4	178	-168.6	176.2	174	128.1	-5.7	114.2	W471 H485 L486 Q487	W471-R483 VanDerWaalsContact CD1-N 3.34Å; W471-R483 HydrophobicContact CD2-CB 3.74Å; W471-R483 HydrophobicContact CD2-CG 4.11Å; W471-R483 HydrophobicContact CE3-CB 4.1Å; W471-R483 HydrophobicContact CE3-CG 3.93Å; W471-R483 HydrophobicContact CG-CB 4.18Å; W471-R483 HydrophobicContact CH2-CB 4.45Å; W471-R483 HydrophobicContact CH2-CG 4.4Å; W471-R483 HydrophobicContact CZ2-CB 4.09Å; W471-R483 HydrophobicContact CZ3-CB 4.45Å; W471-R483 HydrophobicContact CZ3-CG 4.1Å; R483-H485 VanDerWaalsContact C-N 3.31Å; R483-H485 PolarHBondContact O-N 2.8Å; R483-L486 WeakPolarHBondContact O-CB 3.25Å; R483-L486 PolarHBondContact O-N 2.8Å; R483-L486 VanDerWaalsContact O-N 3.13Å; R483-Q487 PolarHBondContact O-N 2.78Å
484	P	78.3	Confident	75.7	Confident	90 Å²	90	81.6 Å²	81.6	58%	0.584	43%	0.434	S	S	*	.	H	α-helix	trans	-63.5	-31.4	178	-25.9	37	0	0	0	114.4	Q487 E488	P484-Q487 PolarHBondContact O-N 2.76Å; P484-E488 PolarHBondContact O-N 3.33Å
485	H	77.9	Confident	74.8	Confident	89 Å²	89	84.6 Å²	84.6	41%	0.412	43%	0.432	S	S	.	.	H	α-helix	trans	-75.1	-31	175.7	-62.4	-172.4	0	0	0	111.3	F480 R482 R483 H489	F480-H485 HydrophobicContact CB-CB 4.29Å; F480-H485 HydrophobicContact CD1-CB 3.96Å; F480-H485 HydrophobicContact CG-CB 4.46Å; R482-H485 PolarHBondContact O-N 2.77Å; R482-H485 VanDerWaalsContact O-N 3.12Å; R483-H485 VanDerWaalsContact C-N 3.31Å; R483-H485 PolarHBondContact O-N 2.8Å; H485-H489 VanDerWaalsContact O-CB 3.28Å; H485-H489 WeakPolarHBondContact O-CB 3.19Å; H485-H489 PolarHBondContact O-N 2.63Å
486	L	82.1	Confident	74	Confident	19 Å²	19	84 Å²	84	10%	0.099	43%	0.43	C	S	.	.	H	α-helix	trans	-65.6	-44.2	166.7	173	60.4	0	0	0	110.4	W471 K472 C473 F480 R482 R483 E488 H489 M490	W471-L486 HydrophobicContact CB-CB 3.98Å; W471-L486 HydrophobicContact CB-CD2 3.8Å; K472-L486 WeakPolarHBondContact O-CD2 3.38Å; C473-L486 HydrophobicContact CB-CD1 3.75Å; F480-L486 HydrophobicContact CB-CB 4.1Å; F480-L486 HydrophobicContact CD2-CB 4.02Å; F480-L486 HydrophobicContact CD2-CD1 3.81Å; F480-L486 HydrophobicContact CE2-CD1 4.12Å; F480-L486 HydrophobicContact CG-CB 4.18Å; R482-L486 PolarHBondContact O-N 2.86Å; R483-L486 WeakPolarHBondContact O-CB 3.25Å; R483-L486 PolarHBondContact O-N 2.8Å; R483-L486 VanDerWaalsContact O-N 3.13Å; L486-E488 PolarHBondContact O-N 3.06Å; L486-H489 CarbonylContact O-C 3.54Å; L486-H489 WeakPolarHBondContact O-CA 3.48Å; L486-H489 WeakPolarHBondContact O-CB 3.23Å; L486-H489 PolarHBondContact O-N 3.24Å; L486-H489 VanDerWaalsContact O-N 3.09Å; L486-M490 HydrophobicContact CD1-CG 3.71Å; L486-M490 HydrophobicContact CD1-SD 4.03Å; L486-M490 HydrophobicContact CG-CG 3.99Å; L486-M490 WeakPolarHBondContact O-CG 3.46Å; L486-M490 PolarHBondContact O-N 3.22Å
487	Q	73.6	Confident	73.2	Confident	110 Å²	110	88.3 Å²	88.3	51%	0.514	44%	0.44	S	S	.	.	H	α-helix	trans	-58.7	-49	179	-163.4	70.9	26.3	0	0	111.5	R483 P484 H489 M490 I491	R483-Q487 PolarHBondContact O-N 2.78Å; P484-Q487 PolarHBondContact O-N 2.76Å; Q487-H489 VanDerWaalsContact C-N 3.26Å; Q487-H489 PolarHBondContact O-N 3.22Å; Q487-M490 PolarHBondContact O-N 3.47Å; Q487-M490 VanDerWaalsContact O-N 3.07Å; Q487-I491 WeakPolarHBondContact O-CG1 3.3Å; Q487-I491 PolarHBondContact O-N 3.37Å
488	E	71.1	Confident	72.9	Confident	79 Å²	79	87.2 Å²	87.2	37%	0.369	43%	0.431	S	S	.	.	H	α-helix	trans	-62.1	-33.5	174.9	-175.1	171.9	-148.7	0	0	112.4	P484 L486 S510	P484-E488 PolarHBondContact O-N 3.33Å; L486-E488 PolarHBondContact O-N 3.06Å; E488-S510 VanDerWaalsContact OE1-CB 3.26Å; E488-S510 WeakPolarHBondContact OE1-CB 3.45Å; E488-S510 PolarHBondContact OE1-OG 3.27Å
489	H	75.9	Confident	72.5	Confident	18 Å²	18	84.1 Å²	84.1	8%	0.083	42%	0.417	C	S	.	.	H	α-helix	trans	-70.8	-32.2	172.3	175.7	64.6	0	0	0	113.4	C473 C476 F480 H485 L486 Q487 I491 L492 H493	C473-H489 VanDerWaalsContact SG-CD2 3.53Å; C473-H489 PolarHBondContact SG-NE2 3.08Å; C476-H489 PolarHBondContact SG-NE2 3.11Å; F480-H489 HydrophobicContact CE1-CB 3.84Å; F480-H489 HydrophobicContact CE2-CB 3.83Å; F480-H489 AromaticContact CE2-CD2 3.29Å; F480-H489 WeakPolarHBondContact CE2-CD2 3.45Å; F480-H489 AromaticContact CE2-CG 3.52Å; F480-H489 HydrophobicContact CZ-CB 3.43Å; F480-H489 VanDerWaalsContact CZ-CB 3.43Å; F480-H489 AromaticContact CZ-CD2 3.44Å; F480-H489 VanDerWaalsContact CZ-CD2 3.44Å; F480-H489 WeakPolarHBondContact CZ-CD2 3.48Å; F480-H489 AromaticContact CZ-CG 3.17Å; F480-H489 AromaticContact CZ-ND1 3.67Å; H485-H489 VanDerWaalsContact O-CB 3.28Å; H485-H489 WeakPolarHBondContact O-CB 3.19Å; H485-H489 PolarHBondContact O-N 2.63Å; L486-H489 CarbonylContact O-C 3.54Å; L486-H489 WeakPolarHBondContact O-CA 3.48Å; L486-H489 WeakPolarHBondContact O-CB 3.23Å; L486-H489 PolarHBondContact O-N 3.24Å; L486-H489 VanDerWaalsContact O-N 3.09Å; Q487-H489 VanDerWaalsContact C-N 3.26Å; Q487-H489 PolarHBondContact O-N 3.22Å; H489-I491 VanDerWaalsContact C-N 3.32Å; H489-L492 VanDerWaalsContact O-CB 3.25Å; H489-L492 WeakPolarHBondContact O-CB 3.17Å; H489-L492 PolarHBondContact O-N 2.71Å; H489-L492 VanDerWaalsContact O-N 3.07Å; H489-H493 AromaticContact CD2-NE2 3.87Å; H489-H493 AromaticContact CE1-NE2 3.33Å; H489-H493 PolarHBondContact CE1-NE2 3.33Å; H489-H493 VanDerWaalsContact CE1-NE2 3.33Å; H489-H493 AromaticContact NE2-CD2 3.76Å; H489-H493 AromaticContact NE2-NE2 3.02Å; H489-H493 PolarHBondContact NE2-NE2 2.93Å; H489-H493 PolarHBondContact O-CD2 2.99Å
490	M	72.6	Confident	72.1	Confident	38 Å²	38	83.6 Å²	83.6	19%	0.187	41%	0.406	C	S	.	.	H	α-helix	trans	-69.2	-32.3	179.5	-64.6	-96.6	51.1	0	0	111.5	C473 I475 L486 Q487 L492 H493 T494	C473-M490 WeakPolarHBondContact SG-CE 3.12Å; I475-M490 HydrophobicContact CB-CE 4.28Å; I475-M490 HydrophobicContact CD1-CE 3.74Å; I475-M490 HydrophobicContact CG1-CE 3.99Å; L486-M490 HydrophobicContact CD1-CG 3.71Å; L486-M490 HydrophobicContact CD1-SD 4.03Å; L486-M490 HydrophobicContact CG-CG 3.99Å; L486-M490 WeakPolarHBondContact O-CG 3.46Å; L486-M490 PolarHBondContact O-N 3.22Å; Q487-M490 PolarHBondContact O-N 3.47Å; Q487-M490 VanDerWaalsContact O-N 3.07Å; M490-L492 PolarHBondContact O-N 2.9Å; M490-L492 VanDerWaalsContact O-N 3.15Å; M490-H493 HydrophobicContact CE-CB 4.35Å; M490-H493 WeakPolarHBondContact O-CB 3.49Å; M490-H493 PolarHBondContact O-N 3.28Å; M490-T494 PolarHBondContact O-N 2.96Å; M490-T494 VanDerWaalsContact O-N 3.16Å
491	I	72.3	Confident	71.9	Confident	24 Å²	24	81.9 Å²	81.9	12%	0.123	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-24.8	169.4	-61.3	170.2	0	0	0	112.1	Q487 H489 H493 D496 P498 F499 K509	Q487-I491 WeakPolarHBondContact O-CG1 3.3Å; Q487-I491 PolarHBondContact O-N 3.37Å; H489-I491 VanDerWaalsContact C-N 3.32Å; I491-H493 PolarHBondContact O-N 2.18Å; I491-D496 WeakPolarHBondContact CG2-O 3.43Å; I491-P498 HydrophobicContact CD1-CG 4.17Å; I491-P498 HydrophobicContact CG1-CG 4.33Å; I491-P498 VanDerWaalsContact CG2-CD 3.4Å; I491-P498 HydrophobicContact CG2-CG 3.96Å; I491-F499 HydrophobicContact CD1-CE2 3.87Å; I491-F499 HydrophobicContact CD1-CZ 4.19Å; I491-K509 HydrophobicContact CG2-CB 4.37Å; I491-K509 WeakPolarHBondContact CG2-O 3.5Å
492	L	64.9	Low	71.6	Confident	86 Å²	86	80.8 Å²	80.8	45%	0.45	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-25.9	174.4	-57	-179.5	0	0	0	112.9	H489 M490 K509	H489-L492 VanDerWaalsContact O-CB 3.25Å; H489-L492 WeakPolarHBondContact O-CB 3.17Å; H489-L492 PolarHBondContact O-N 2.71Å; H489-L492 VanDerWaalsContact O-N 3.07Å; M490-L492 PolarHBondContact O-N 2.9Å; M490-L492 VanDerWaalsContact O-N 3.15Å; L492-K509 HydrophobicContact CD2-CB 3.89Å; L492-K509 HydrophobicContact CD2-CD 3.96Å; L492-K509 PolarHBondContact O-NZ 3.28Å
493	H	69.1	Low	71.1	Confident	57 Å²	57	78.6 Å²	78.6	26%	0.264	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-38.9	-175.6	-64.2	-79.3	0	0	0	113.8	I475 C476 H489 M490 I491 Q495	I475-H493 HydrophobicContact CD1-CB 3.68Å; I475-H493 HydrophobicContact CG2-CB 4.36Å; I475-H493 WeakPolarHBondContact CG2-ND1 3.32Å; C476-H493 VanDerWaalsContact SG-CE1 3.51Å; C476-H493 PolarHBondContact SG-NE2 3.22Å; H489-H493 AromaticContact CD2-NE2 3.87Å; H489-H493 AromaticContact CE1-NE2 3.33Å; H489-H493 PolarHBondContact CE1-NE2 3.33Å; H489-H493 VanDerWaalsContact CE1-NE2 3.33Å; H489-H493 AromaticContact NE2-CD2 3.76Å; H489-H493 AromaticContact NE2-NE2 3.02Å; H489-H493 PolarHBondContact NE2-NE2 2.93Å; H489-H493 PolarHBondContact O-CD2 2.99Å; M490-H493 HydrophobicContact CE-CB 4.35Å; M490-H493 WeakPolarHBondContact O-CB 3.49Å; M490-H493 PolarHBondContact O-N 3.28Å; I491-H493 PolarHBondContact O-N 2.18Å; H493-Q495 PolarHBondContact O-N 3.15Å; H493-Q495 VanDerWaalsContact O-N 3.08Å
494	T	65.6	Low	71.1	Confident	74 Å²	74	73.2 Å²	73.2	45%	0.454	37%	0.372	S	S	.	.	S	Bend	trans	-72.1	-1.6	-176.1	62.8	0	0	0	0	114.1	M490 D496	M490-T494 PolarHBondContact O-N 2.96Å; M490-T494 VanDerWaalsContact O-N 3.16Å; T494-D496 WeakPolarHBondContact CB-OD2 3.08Å; T494-D496 PolarHBondContact O-N 3.07Å; T494-D496 PolarHBondContact OG1-OD2 2.79Å
495	Q	58.8	Low	70.6	Confident	158 Å²	158	74.5 Å²	74.5	74%	0.738	37%	0.374	S	S	*	.			trans	62.1	-20.4	-172.9	-57.3	-158.1	45.5	0	0	116	H493 R497	H493-Q495 PolarHBondContact O-N 3.15Å; H493-Q495 VanDerWaalsContact O-N 3.08Å; Q495-R497 PolarHBondContact O-N 3.07Å
496	D	61.3	Low	70.3	Confident	97 Å²	97	74.7 Å²	74.7	52%	0.519	38%	0.375	S	S	.	.			trans	-42.5	135.9	166	-54.4	-52.8	0	0	0	110.6	I491 T494 P498	I491-D496 WeakPolarHBondContact CG2-O 3.43Å; T494-D496 WeakPolarHBondContact CB-OD2 3.08Å; T494-D496 PolarHBondContact O-N 3.07Å; T494-D496 PolarHBondContact OG1-OD2 2.79Å; D496-P498 HydrophobicContact CB-CG 4.13Å; D496-P498 WeakPolarHBondContact O-CD 3.45Å
497	R	62.4	Low	70	Confident	135 Å²	135	78.9 Å²	78.9	51%	0.509	39%	0.39	S	S	.	.			trans	-119.5	74.7	173.7	-68.6	161.8	167.8	-126.5	19.9	107.1	Q495 F499 Y507 F508 K509	Q495-R497 PolarHBondContact O-N 3.07Å; R497-F499 PolarHBondContact O-N 3.25Å; R497-Y507 VanDerWaalsContact CB-CB 3.42Å; R497-Y507 VanDerWaalsContact CD-O 3.3Å; R497-Y507 WeakPolarHBondContact CD-O 3.36Å; R497-Y507 PolarHBondContact NH1-O 3.1Å; R497-Y507 WeakPolarHBondContact O-CB 3.32Å; R497-Y507 WeakPolarHBondContact O-CD1 3.34Å; R497-F508 CarbonylContact C-O 3.58Å; R497-F508 VanDerWaalsContact C-O 3.28Å; R497-F508 WeakPolarHBondContact CA-O 3.09Å; R497-K509 HydrophobicContact CG-CG 4.04Å
498	P	67.5	Low	70	Confident	77 Å²	77	75 Å²	75	50%	0.5	37%	0.371	S	S	.	.			trans	-69.5	-11.1	-162.9	-19.1	33.9	0	0	0	113.8	I491 D496	I491-P498 HydrophobicContact CD1-CG 4.17Å; I491-P498 HydrophobicContact CG1-CG 4.33Å; I491-P498 VanDerWaalsContact CG2-CD 3.4Å; I491-P498 HydrophobicContact CG2-CG 3.96Å; D496-P498 HydrophobicContact CB-CG 4.13Å; D496-P498 WeakPolarHBondContact O-CD 3.45Å
499	F	68.4	Low	69.8	Low	57 Å²	57	75 Å²	75	25%	0.25	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	74.4	-175.9	-51.4	-72.6	0	0	0	110.1	I491 R497 F508 R511 R514	I491-F499 HydrophobicContact CD1-CE2 3.87Å; I491-F499 HydrophobicContact CD1-CZ 4.19Å; R497-F499 PolarHBondContact O-N 3.25Å; F499-F508 HydrophobicContact CB-CB 4.31Å; F499-F508 WeakPolarHBondContact CD2-O 3.28Å; F499-F508 PolarHBondContact N-O 2.91Å; F499-F508 WeakPolarHBondContact O-CD2 2.95Å; F499-F508 PolarHBondContact O-N 3.18Å; F499-R511 HydrophobicContact CD1-CB 4.08Å; F499-R511 HydrophobicContact CE1-CB 3.97Å; F499-R511 HydrophobicContact CG-CB 4.47Å; F499-R511 HydrophobicContact CZ-CB 4.26Å; F499-R514 HydrophobicContact CB-CB 4.11Å
500	K	73.2	Confident	69.6	Low	90 Å²	90	75.1 Å²	75.1	39%	0.391	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	138.2	166.7	-165	-170.9	179	177.6	0	110.2	D505 Y507 R514	K500-D505 WeakPolarHBondContact CE-OD1 3.22Å; K500-D505 IonicContact NZ-OD1 3.9Å; K500-D505 PolarHBondContact NZ-OD1 3.13Å; K500-Y507 HydrophobicContact CB-CD1 3.63Å; K500-Y507 HydrophobicContact CB-CE1 3.63Å; K500-Y507 HydrophobicContact CB-CG 4.28Å; K500-Y507 HydrophobicContact CD-CE1 3.95Å; K500-Y507 HydrophobicContact CD-CE2 4.35Å; K500-Y507 HydrophobicContact CG-CD1 3.9Å; K500-Y507 HydrophobicContact CG-CD2 4.33Å; K500-Y507 HydrophobicContact CG-CE1 3.67Å; K500-Y507 HydrophobicContact CG-CE2 4.08Å; K500-Y507 HydrophobicContact CG-CG 4.23Å; K500-R514 WeakPolarHBondContact O-CD 3.42Å
501	C	76.6	Confident	69.6	Low	6 Å²	6	81.2 Å²	81.2	4%	0.041	39%	0.394	C	S	.	.			trans	-65.2	153.6	170.7	-153	0	0	0	0	111.6	F503 C504 E506 F508	C501-F503 VanDerWaalsContact C-N 3.33Å; C501-C504 WeakPolarHBondContact CB-O 3.24Å; C501-C504 VanDerWaalsContact CB-SG 3.6Å; C501-E506 PolarHBondContact N-O 3.32Å; C501-F508 HydrophobicContact CB-CE2 4.21Å
502	S	75.2	Confident	69.7	Low	81 Å²	81	87.4 Å²	87.4	57%	0.566	42%	0.421	S	S	*	.	S	Bend	trans	-87.3	-3.3	175.9	52.2	0	0	0	0	113.3
503	F	67.4	Low	70.2	Confident	119 Å²	119	85.3 Å²	85.3	52%	0.522	42%	0.415	S	S	.	.	S	Bend	trans	-131.7	0.8	-175.6	-61.9	-85.4	0	0	0	113.3	C501 Q518 H522	C501-F503 VanDerWaalsContact C-N 3.33Å; F503-Q518 HydrophobicContact CD2-CG 4.04Å; F503-Q518 HydrophobicContact CE2-CG 4.08Å; F503-H522 HydrophobicContact CB-CB 3.92Å; F503-H522 VanDerWaalsContact CB-CG 3.4Å; F503-H522 WeakPolarHBondContact CB-ND1 3.45Å; F503-H522 HydrophobicContact CD2-CB 4.09Å; F503-H522 HydrophobicContact CG-CB 3.98Å; F503-H522 PolarHBondContact O-CE1 2.86Å; F503-H522 VanDerWaalsContact O-CE1 3.28Å
504	C	78.3	Confident	70.7	Confident	34 Å²	34	84.9 Å²	84.9	23%	0.23	41%	0.411	C	S	.	.	S	Bend	trans	-162.7	166.7	171.4	69.3	0	0	0	0	110.9	C501 E506 H517 H522	C501-C504 WeakPolarHBondContact CB-O 3.24Å; C501-C504 VanDerWaalsContact CB-SG 3.6Å; C504-E506 PolarHBondContact O-N 2.93Å; C504-E506 PolarHBondContact SG-N 3.39Å; C504-H517 PolarHBondContact SG-NE2 3.48Å; C504-H522 PolarHBondContact SG-NE2 3.27Å; C504-H522 VanDerWaalsContact SG-NE2 3.37Å
505	D	69.2	Low	71.1	Confident	117 Å²	117	85 Å²	85	63%	0.626	41%	0.409	S	S	*	.	S	Bend	trans	-81.2	18.3	176.5	-58.5	-75.3	0	0	0	114.3	K500 Y507	K500-D505 WeakPolarHBondContact CE-OD1 3.22Å; K500-D505 IonicContact NZ-OD1 3.9Å; K500-D505 PolarHBondContact NZ-OD1 3.13Å; D505-Y507 WeakPolarHBondContact O-CD2 3.11Å; D505-Y507 WeakPolarHBondContact O-CE2 3.4Å; D505-Y507 PolarHBondContact O-N 3.2Å
506	E	71.3	Confident	71.7	Confident	93 Å²	93	81.1 Å²	81.1	44%	0.435	39%	0.389	S	S	.	.			trans	-74.4	124.3	167.1	-71.7	-155.7	-161.8	0	0	111.3	C501 C504 F508 H517	C501-E506 PolarHBondContact N-O 3.32Å; C504-E506 PolarHBondContact O-N 2.93Å; C504-E506 PolarHBondContact SG-N 3.39Å; E506-F508 HydrophobicContact CB-CE2 3.55Å; E506-F508 HydrophobicContact CB-CZ 3.58Å; E506-F508 HydrophobicContact CG-CZ 4.48Å; E506-F508 WeakPolarHBondContact O-CD2 3.43Å; E506-F508 VanDerWaalsContact O-CE2 3.26Å; E506-F508 WeakPolarHBondContact O-CE2 3.36Å; E506-F508 VanDerWaalsContact OE2-CZ 3.28Å; E506-F508 WeakPolarHBondContact OE2-CZ 3.34Å; E506-H517 IonicContact OE1-CE1 3.76Å; E506-H517 PolarHBondContact OE1-CE1 2.9Å; E506-H517 IonicContact OE2-CE1 2.67Å; E506-H517 IonicContact OE2-ND1 2.85Å
507	Y	74.9	Confident	72.5	Confident	107 Å²	107	77.4 Å²	77.4	42%	0.42	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	131.8	176.2	-66.1	-105	0	0	0	111.1	R497 K500 D505	R497-Y507 VanDerWaalsContact CB-CB 3.42Å; R497-Y507 VanDerWaalsContact CD-O 3.3Å; R497-Y507 WeakPolarHBondContact CD-O 3.36Å; R497-Y507 PolarHBondContact NH1-O 3.1Å; R497-Y507 WeakPolarHBondContact O-CB 3.32Å; R497-Y507 WeakPolarHBondContact O-CD1 3.34Å; K500-Y507 HydrophobicContact CB-CD1 3.63Å; K500-Y507 HydrophobicContact CB-CE1 3.63Å; K500-Y507 HydrophobicContact CB-CG 4.28Å; K500-Y507 HydrophobicContact CD-CE1 3.95Å; K500-Y507 HydrophobicContact CD-CE2 4.35Å; K500-Y507 HydrophobicContact CG-CD1 3.9Å; K500-Y507 HydrophobicContact CG-CD2 4.33Å; K500-Y507 HydrophobicContact CG-CE1 3.67Å; K500-Y507 HydrophobicContact CG-CE2 4.08Å; K500-Y507 HydrophobicContact CG-CG 4.23Å; D505-Y507 WeakPolarHBondContact O-CD2 3.11Å; D505-Y507 WeakPolarHBondContact O-CE2 3.4Å; D505-Y507 PolarHBondContact O-N 3.2Å
508	F	73.8	Confident	73	Confident	28 Å²	28	72.8 Å²	72.8	12%	0.123	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	149.7	-175.5	-63	-86.7	0	0	0	113.5	R497 F499 C501 E506 S510 A513 R514 H517	R497-F508 CarbonylContact C-O 3.58Å; R497-F508 VanDerWaalsContact C-O 3.28Å; R497-F508 WeakPolarHBondContact CA-O 3.09Å; F499-F508 HydrophobicContact CB-CB 4.31Å; F499-F508 WeakPolarHBondContact CD2-O 3.28Å; F499-F508 PolarHBondContact N-O 2.91Å; F499-F508 WeakPolarHBondContact O-CD2 2.95Å; F499-F508 PolarHBondContact O-N 3.18Å; C501-F508 HydrophobicContact CB-CE2 4.21Å; E506-F508 HydrophobicContact CB-CE2 3.55Å; E506-F508 HydrophobicContact CB-CZ 3.58Å; E506-F508 HydrophobicContact CG-CZ 4.48Å; E506-F508 WeakPolarHBondContact O-CD2 3.43Å; E506-F508 VanDerWaalsContact O-CE2 3.26Å; E506-F508 WeakPolarHBondContact O-CE2 3.36Å; E506-F508 VanDerWaalsContact OE2-CZ 3.28Å; E506-F508 WeakPolarHBondContact OE2-CZ 3.34Å; F508-S510 VanDerWaalsContact C-N 3.31Å; F508-A513 HydrophobicContact CB-CB 4.3Å; F508-A513 HydrophobicContact CD1-CB 4.12Å; F508-R514 HydrophobicContact CB-CB 4Å; F508-R514 HydrophobicContact CD2-CB 3.83Å; F508-R514 HydrophobicContact CD2-CG 3.82Å; F508-R514 HydrophobicContact CE2-CG 4.45Å; F508-R514 HydrophobicContact CG-CB 4.02Å; F508-H517 HydrophobicContact CE1-CB 3.74Å; F508-H517 AromaticContact CE1-CG 3.99Å; F508-H517 HydrophobicContact CE2-CB 3.93Å; F508-H517 AromaticContact CE2-CD2 3.99Å; F508-H517 AromaticContact CE2-CG 3.79Å; F508-H517 HydrophobicContact CZ-CB 3.39Å; F508-H517 AromaticContact CZ-CD2 3.82Å; F508-H517 AromaticContact CZ-CG 3.22Å; F508-H517 AromaticContact CZ-ND1 3.41Å; F508-H517 WeakPolarHBondContact CZ-ND1 3.48Å
509	K	67.1	Low	73.2	Confident	78 Å²	78	71.4 Å²	71.4	34%	0.339	34%	0.34	S	S	.	.	S	Bend	trans	-80.3	-5.8	176.3	-57.5	-167.1	172.3	-160.7	0	114.5	I491 L492 R497	I491-K509 HydrophobicContact CG2-CB 4.37Å; I491-K509 WeakPolarHBondContact CG2-O 3.5Å; L492-K509 HydrophobicContact CD2-CB 3.89Å; L492-K509 HydrophobicContact CD2-CD 3.96Å; L492-K509 PolarHBondContact O-NZ 3.28Å; R497-K509 HydrophobicContact CG-CG 4.04Å
510	S	72.6	Confident	73.2	Confident	22 Å²	22	72.3 Å²	72.3	15%	0.154	34%	0.344	C	S	.	.	S	Bend	trans	-149.4	144.2	178.6	165.4	0	0	0	0	110.5	E488 F508 F512 A513 R514	E488-S510 VanDerWaalsContact OE1-CB 3.26Å; E488-S510 WeakPolarHBondContact OE1-CB 3.45Å; E488-S510 PolarHBondContact OE1-OG 3.27Å; F508-S510 VanDerWaalsContact C-N 3.31Å; S510-F512 PolarHBondContact O-N 2.77Å; S510-F512 PolarHBondContact OG-N 2.93Å; S510-F512 VanDerWaalsContact OG-N 3.11Å; S510-A513 PolarHBondContact O-N 3.5Å; S510-R514 PolarHBondContact O-N 2.92Å
511	R	72.3	Confident	72.7	Confident	166 Å²	166	74.4 Å²	74.4	63%	0.626	35%	0.35	S	S	*	.	H	α-helix	trans	-57.7	-36.6	172.3	179.4	174.6	176.8	157.6	1.8	111.8	F499 R514 L515	F499-R511 HydrophobicContact CD1-CB 4.08Å; F499-R511 HydrophobicContact CE1-CB 3.97Å; F499-R511 HydrophobicContact CG-CB 4.47Å; F499-R511 HydrophobicContact CZ-CB 4.26Å; R511-R514 PolarHBondContact O-N 2.68Å; R511-L515 HydrophobicContact CG-CD1 4.07Å; R511-L515 WeakPolarHBondContact O-CD1 3.26Å; R511-L515 PolarHBondContact O-N 2.86Å
512	F	73.9	Confident	72.2	Confident	154 Å²	154	77 Å²	77	68%	0.675	36%	0.362	S	S	*	.	H	α-helix	trans	-70.1	-38.7	178.3	-175.8	-98.8	0	0	0	111.9	S510 L515 K516	S510-F512 PolarHBondContact O-N 2.77Å; S510-F512 PolarHBondContact OG-N 2.93Å; S510-F512 VanDerWaalsContact OG-N 3.11Å; F512-L515 PolarHBondContact O-N 2.84Å; F512-K516 PolarHBondContact O-N 3.07Å
513	A	74.4	Confident	71.9	Confident	41 Å²	41	77.7 Å²	77.7	34%	0.339	36%	0.359	S	S	.	.	H	α-helix	trans	-63	-42.9	173.8	0	0	0	0	0	111.5	F508 S510 K516 H517	F508-A513 HydrophobicContact CB-CB 4.3Å; F508-A513 HydrophobicContact CD1-CB 4.12Å; S510-A513 PolarHBondContact O-N 3.5Å; A513-K516 PolarHBondContact O-N 3.47Å; A513-H517 PolarHBondContact O-N 2.98Å
514	R	79.8	Confident	71.6	Confident	48 Å²	48	74.1 Å²	74.1	18%	0.181	36%	0.356	C	S	.	.	H	α-helix	trans	-59.4	-47.5	173.4	-170	-173.7	66.8	75.6	-19.3	112.3	F499 K500 F508 S510 R511 K516 H517 Q518	F499-R514 HydrophobicContact CB-CB 4.11Å; K500-R514 WeakPolarHBondContact O-CD 3.42Å; F508-R514 HydrophobicContact CB-CB 4Å; F508-R514 HydrophobicContact CD2-CB 3.83Å; F508-R514 HydrophobicContact CD2-CG 3.82Å; F508-R514 HydrophobicContact CE2-CG 4.45Å; F508-R514 HydrophobicContact CG-CB 4.02Å; S510-R514 PolarHBondContact O-N 2.92Å; R511-R514 PolarHBondContact O-N 2.68Å; R514-K516 VanDerWaalsContact C-N 3.34Å; R514-K516 PolarHBondContact O-N 2.86Å; R514-H517 PolarHBondContact O-N 3.01Å; R514-Q518 WeakPolarHBondContact O-CB 3.23Å; R514-Q518 PolarHBondContact O-N 3.35Å
515	L	74.3	Confident	70.9	Confident	77 Å²	77	75.6 Å²	75.6	40%	0.403	37%	0.365	S	S	.	.	H	α-helix	trans	-63	-39.9	179	-98.4	70.9	0	0	0	111.8	R511 F512 Q518 E519	R511-L515 HydrophobicContact CG-CD1 4.07Å; R511-L515 WeakPolarHBondContact O-CD1 3.26Å; R511-L515 PolarHBondContact O-N 2.86Å; F512-L515 PolarHBondContact O-N 2.84Å; L515-Q518 WeakPolarHBondContact O-CB 3.35Å; L515-Q518 PolarHBondContact O-N 3.04Å; L515-E519 WeakPolarHBondContact O-CB 3.4Å; L515-E519 PolarHBondContact O-N 2.96Å
516	K	72.7	Confident	70.8	Confident	76 Å²	76	72.6 Å²	72.6	33%	0.33	35%	0.346	S	S	.	.	H	α-helix	trans	-69.5	-32.9	176.8	-170.3	169.1	-171.2	70.4	0	112.9	F512 A513 R514 K520 D537	F512-K516 PolarHBondContact O-N 3.07Å; A513-K516 PolarHBondContact O-N 3.47Å; R514-K516 VanDerWaalsContact C-N 3.34Å; R514-K516 PolarHBondContact O-N 2.86Å; K516-K520 WeakPolarHBondContact O-CB 3.48Å; K516-K520 PolarHBondContact O-N 2.91Å; K516-D537 WeakPolarHBondContact CE-OD2 3.4Å; K516-D537 VanDerWaalsContact NZ-CG 3.26Å; K516-D537 IonicContact NZ-OD1 2.74Å; K516-D537 PolarHBondContact NZ-OD1 3.2Å; K516-D537 IonicContact NZ-OD2 2.62Å; K516-D537 PolarHBondContact NZ-OD2 3.11Å
517	H	76.9	Confident	70.9	Confident	20 Å²	20	71.2 Å²	71.2	9%	0.093	35%	0.345	C	S	.	.	H	α-helix	trans	-63.6	-47.9	169	175.3	90.4	0	0	0	111.2	C504 E506 F508 A513 R514 E519 K520 Y521 H522	C504-H517 PolarHBondContact SG-NE2 3.48Å; E506-H517 IonicContact OE1-CE1 3.76Å; E506-H517 PolarHBondContact OE1-CE1 2.9Å; E506-H517 IonicContact OE2-CE1 2.67Å; E506-H517 IonicContact OE2-ND1 2.85Å; F508-H517 HydrophobicContact CE1-CB 3.74Å; F508-H517 AromaticContact CE1-CG 3.99Å; F508-H517 HydrophobicContact CE2-CB 3.93Å; F508-H517 AromaticContact CE2-CD2 3.99Å; F508-H517 AromaticContact CE2-CG 3.79Å; F508-H517 HydrophobicContact CZ-CB 3.39Å; F508-H517 AromaticContact CZ-CD2 3.82Å; F508-H517 AromaticContact CZ-CG 3.22Å; F508-H517 AromaticContact CZ-ND1 3.41Å; F508-H517 WeakPolarHBondContact CZ-ND1 3.48Å; A513-H517 PolarHBondContact O-N 2.98Å; R514-H517 PolarHBondContact O-N 3.01Å; H517-E519 PolarHBondContact O-N 2.76Å; H517-K520 PolarHBondContact O-N 3.4Å; H517-Y521 AromaticContact CE1-CD2 3.6Å; H517-Y521 AromaticContact CE1-CG 3.77Å; H517-Y521 AromaticContact CG-CD2 3.91Å; H517-Y521 AromaticContact ND1-CD2 3.23Å; H517-Y521 WeakPolarHBondContact ND1-CD2 3.41Å; H517-Y521 AromaticContact ND1-CE2 3.64Å; H517-Y521 PolarHBondContact O-N 3.03Å; H517-H522 AromaticContact CD2-CD2 3.66Å; H517-H522 AromaticContact CD2-NE2 3.64Å; H517-H522 AromaticContact NE2-CD2 2.96Å; H517-H522 PolarHBondContact NE2-CD2 3.37Å; H517-H522 AromaticContact NE2-CE1 3.28Å; H517-H522 PolarHBondContact NE2-CE1 3.5Å; H517-H522 VanDerWaalsContact NE2-CE1 3.28Å; H517-H522 AromaticContact NE2-NE2 2.18Å; H517-H522 PolarHBondContact NE2-NE2 3.4Å
518	Q	73.6	Confident	71	Confident	38 Å²	38	66.2 Å²	66.2	18%	0.178	33%	0.326	C	S	.	.	H	α-helix	trans	-57.2	-46.7	177	-172.9	-177.9	-22.3	0	0	111.8	F503 R514 L515 K520 H522 L523	F503-Q518 HydrophobicContact CD2-CG 4.04Å; F503-Q518 HydrophobicContact CE2-CG 4.08Å; R514-Q518 WeakPolarHBondContact O-CB 3.23Å; R514-Q518 PolarHBondContact O-N 3.35Å; L515-Q518 WeakPolarHBondContact O-CB 3.35Å; L515-Q518 PolarHBondContact O-N 3.04Å; Q518-K520 VanDerWaalsContact C-N 3.31Å; Q518-K520 PolarHBondContact O-N 2.87Å; Q518-H522 CarbonylContact O-C 3.58Å; Q518-H522 PolarHBondContact O-N 3.13Å; Q518-H522 VanDerWaalsContact O-N 3.08Å; Q518-L523 HydrophobicContact CG-CD1 4.21Å; Q518-L523 HydrophobicContact CG-CG 4.4Å; Q518-L523 PolarHBondContact O-N 2.91Å
519	E	71.8	Confident	71	Confident	48 Å²	48	72.4 Å²	72.4	22%	0.224	36%	0.355	C	S	.	.	H	α-helix	trans	-57.8	-40.5	173.1	-172.9	-172.1	174.2	0	0	112.4	L515 H517 F526 T538	L515-E519 WeakPolarHBondContact O-CB 3.4Å; L515-E519 PolarHBondContact O-N 2.96Å; H517-E519 PolarHBondContact O-N 2.76Å; E519-F526 HydrophobicContact CG-CE2 3.86Å; E519-F526 HydrophobicContact CG-CZ 4.05Å; E519-T538 VanDerWaalsContact OE1-CB 3.27Å; E519-T538 WeakPolarHBondContact OE1-CB 3.5Å; E519-T538 PolarHBondContact OE1-N 3.14Å; E519-T538 PolarHBondContact OE1-OG1 3.02Å
520	K	67.8	Low	71.4	Confident	75 Å²	75	73.4 Å²	73.4	33%	0.326	36%	0.363	S	S	.	.	H	α-helix	trans	-84.6	-32.5	-171.1	-179.1	178.1	176.1	-142.3	0	114.9	K516 H517 Q518 N536	K516-K520 WeakPolarHBondContact O-CB 3.48Å; K516-K520 PolarHBondContact O-N 2.91Å; H517-K520 PolarHBondContact O-N 3.4Å; Q518-K520 VanDerWaalsContact C-N 3.31Å; Q518-K520 PolarHBondContact O-N 2.87Å; K520-N536 WeakPolarHBondContact CA-O 3.45Å; K520-N536 WeakPolarHBondContact CB-O 3.49Å; K520-N536 HydrophobicContact CG-CB 4.06Å; K520-N536 WeakPolarHBondContact CG-O 3.11Å
521	Y	62.4	Low	71.5	Confident	134 Å²	134	74.8 Å²	74.8	53%	0.525	37%	0.372	S	S	.	.	H	α-helix	trans	-119.9	-16.5	-169.4	-68.1	-82.7	0	0	0	114.6	H517	H517-Y521 AromaticContact CE1-CD2 3.6Å; H517-Y521 AromaticContact CE1-CG 3.77Å; H517-Y521 AromaticContact CG-CD2 3.91Å; H517-Y521 AromaticContact ND1-CD2 3.23Å; H517-Y521 WeakPolarHBondContact ND1-CD2 3.41Å; H517-Y521 AromaticContact ND1-CE2 3.64Å; H517-Y521 PolarHBondContact O-N 3.03Å
522	H	67.3	Low	71.6	Confident	60 Å²	60	69.4 Å²	69.4	28%	0.278	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127	-13.5	-175.7	-57.8	-68.4	0	0	0	114.2	F503 C504 H517 Q518	F503-H522 HydrophobicContact CB-CB 3.92Å; F503-H522 VanDerWaalsContact CB-CG 3.4Å; F503-H522 WeakPolarHBondContact CB-ND1 3.45Å; F503-H522 HydrophobicContact CD2-CB 4.09Å; F503-H522 HydrophobicContact CG-CB 3.98Å; F503-H522 PolarHBondContact O-CE1 2.86Å; F503-H522 VanDerWaalsContact O-CE1 3.28Å; C504-H522 PolarHBondContact SG-NE2 3.27Å; C504-H522 VanDerWaalsContact SG-NE2 3.37Å; H517-H522 AromaticContact CD2-CD2 3.66Å; H517-H522 AromaticContact CD2-NE2 3.64Å; H517-H522 AromaticContact NE2-CD2 2.96Å; H517-H522 PolarHBondContact NE2-CD2 3.37Å; H517-H522 AromaticContact NE2-CE1 3.28Å; H517-H522 PolarHBondContact NE2-CE1 3.5Å; H517-H522 VanDerWaalsContact NE2-CE1 3.28Å; H517-H522 AromaticContact NE2-NE2 2.18Å; H517-H522 PolarHBondContact NE2-NE2 3.4Å; Q518-H522 CarbonylContact O-C 3.58Å; Q518-H522 PolarHBondContact O-N 3.13Å; Q518-H522 VanDerWaalsContact O-N 3.08Å
523	L	68.6	Low	71.6	Confident	97 Å²	97	69.9 Å²	69.9	51%	0.508	37%	0.365	S	S	.	.	S	Bend	trans	-119	14.4	174.3	-59.5	174.4	0	0	0	112.4	Q518	Q518-L523 HydrophobicContact CG-CD1 4.21Å; Q518-L523 HydrophobicContact CG-CG 4.4Å; Q518-L523 PolarHBondContact O-N 2.91Å
524	G	60.6	Low	71.6	Confident	44 Å²	44	74.7 Å²	74.7	45%	0.454	38%	0.381	S	S	.	.			trans	-84.4	161.7	178	0	0	0	0	0	112.5
525	P	64.1	Low	71.3	Confident	65 Å²	65	74.4 Å²	74.4	42%	0.422	38%	0.381	S	S	.	.			cis	-102.9	158.8	-2.2	34.7	-26.2	0	0	0	113	P527 Q534	P525-P527 WeakPolarHBondContact O-CD 3.45Å; P525-Q534 HydrophobicContact CB-CB 3.77Å; P525-Q534 HydrophobicContact CB-CG 4.05Å; P525-Q534 HydrophobicContact CG-CB 4.17Å; P525-Q534 HydrophobicContact CG-CG 3.88Å
526	F	66.4	Low	71.1	Confident	53 Å²	53	74.3 Å²	74.3	23%	0.232	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	100.2	168.7	-57.9	-80.2	0	0	0	109.9	E519 F535 K541	E519-F526 HydrophobicContact CG-CE2 3.86Å; E519-F526 HydrophobicContact CG-CZ 4.05Å; F526-F535 PolarHBondContact N-O 2.91Å; F526-F535 PolarHBondContact O-N 3.23Å; F526-K541 HydrophobicContact CB-CB 4.33Å; F526-K541 HydrophobicContact CB-CD 3.74Å
527	P	73.3	Confident	71.2	Confident	65 Å²	65	72 Å²	72	42%	0.422	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	145.4	175.5	29	-35.7	0	0	0	111	P525 R533 K541	P525-P527 WeakPolarHBondContact O-CD 3.45Å; P527-R533 CarbonylContact C-O 3.53Å; P527-K541 WeakPolarHBondContact O-CD 3.18Å; P527-K541 WeakPolarHBondContact O-CE 3.35Å; P527-K541 PolarHBondContact O-NZ 3.3Å
528	C	76.7	Confident	71.1	Confident	1 Å²	1	74.3 Å²	74.3	1%	0.007	39%	0.388	C	S	.	.			trans	-75.8	118.6	165	-177.4	0	0	0	0	109.5	I530 C531 G532 R533 F535 I545	C528-I530 PolarHBondContact O-N 3.31Å; C528-C531 PolarHBondContact O-N 3.33Å; C528-G532 WeakPolarHBondContact O-CA 3.49Å; C528-G532 PolarHBondContact O-N 3.5Å; C528-R533 PolarHBondContact N-O 3.16Å; C528-F535 HydrophobicContact CB-CD2 4.5Å; C528-F535 HydrophobicContact CB-CE2 4.05Å; C528-I545 VanDerWaalsContact SG-CG1 3.59Å
529	E	74.9	Confident	71.2	Confident	158 Å²	158	74.4 Å²	74.4	74%	0.738	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-16.6	178.2	-68.8	120.6	-128.1	0	0	114	K541	E529-K541 WeakPolarHBondContact OE1-CE 3.3Å; E529-K541 IonicContact OE1-NZ 3.21Å; E529-K541 PolarHBondContact OE1-NZ 3.47Å
530	I	75.6	Confident	71.5	Confident	100 Å²	100	74.2 Å²	74.2	51%	0.513	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-7.6	-172	-36.1	173.4	0	0	0	112.4	C528 I545 H549	C528-I530 PolarHBondContact O-N 3.31Å; I530-I545 HydrophobicContact CD1-CG2 4.25Å; I530-H549 HydrophobicContact CD1-CB 3.68Å; I530-H549 HydrophobicContact CG2-CB 4.42Å; I530-H549 VanDerWaalsContact CG2-ND1 3.32Å; I530-H549 WeakPolarHBondContact CG2-ND1 3.29Å
531	C	74.9	Confident	72	Confident	51 Å²	51	72.2 Å²	72.2	35%	0.345	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.3	16.7	175.3	67.4	0	0	0	0	115.9	C528 R533 H544 H549	C528-C531 PolarHBondContact O-N 3.33Å; C531-R533 PolarHBondContact O-N 2.99Å; C531-H544 PolarHBondContact SG-NE2 3.23Å; C531-H549 PolarHBondContact SG-NE2 3.49Å
532	G	74.6	Confident	72.6	Confident	52 Å²	52	73.2 Å²	73.2	54%	0.536	40%	0.398	S	S	.	.			trans	67.9	-19.6	178.1	0	0	0	0	0	116.2	C528 Q534	C528-G532 WeakPolarHBondContact O-CA 3.49Å; C528-G532 PolarHBondContact O-N 3.5Å; G532-Q534 PolarHBondContact O-N 2.61Å
533	R	72.3	Confident	72.9	Confident	164 Å²	164	76.1 Å²	76.1	62%	0.619	41%	0.406	S	S	*	.			trans	-54.3	123.6	-174.2	-68.7	-179.4	-168.3	-105.4	-2.5	111.4	P527 C528 C531 F535	P527-R533 CarbonylContact C-O 3.53Å; C528-R533 PolarHBondContact N-O 3.16Å; C531-R533 PolarHBondContact O-N 2.99Å; R533-F535 HydrophobicContact CB-CE2 3.69Å; R533-F535 HydrophobicContact CB-CZ 3.93Å; R533-F535 WeakPolarHBondContact O-CD2 3.44Å; R533-F535 WeakPolarHBondContact O-CE2 3.28Å
534	Q	74.5	Confident	73.4	Confident	143 Å²	143	72.7 Å²	72.7	67%	0.668	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	131.4	-178.1	-70.2	-179.6	10.9	0	0	111.4	P525 G532	P525-Q534 HydrophobicContact CB-CB 3.77Å; P525-Q534 HydrophobicContact CB-CG 4.05Å; P525-Q534 HydrophobicContact CG-CB 4.17Å; P525-Q534 HydrophobicContact CG-CG 3.88Å; G532-Q534 PolarHBondContact O-N 2.61Å
535	F	74.7	Confident	74.1	Confident	41 Å²	41	72.8 Å²	72.8	18%	0.18	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	142.8	177.4	-65.6	-81.1	0	0	0	111.9	F526 C528 R533 D537 N540 K541 H544	F526-F535 PolarHBondContact N-O 2.91Å; F526-F535 PolarHBondContact O-N 3.23Å; C528-F535 HydrophobicContact CB-CD2 4.5Å; C528-F535 HydrophobicContact CB-CE2 4.05Å; R533-F535 HydrophobicContact CB-CE2 3.69Å; R533-F535 HydrophobicContact CB-CZ 3.93Å; R533-F535 WeakPolarHBondContact O-CD2 3.44Å; R533-F535 WeakPolarHBondContact O-CE2 3.28Å; F535-D537 VanDerWaalsContact C-N 3.35Å; F535-D537 PolarHBondContact O-N 3.26Å; F535-N540 HydrophobicContact CB-CB 4.43Å; F535-N540 HydrophobicContact CD1-CB 4.09Å; F535-K541 HydrophobicContact CB-CB 4.02Å; F535-K541 HydrophobicContact CD2-CB 4.15Å; F535-K541 HydrophobicContact CG-CB 4.26Å; F535-H544 HydrophobicContact CE1-CB 3.82Å; F535-H544 AromaticContact CE1-CG 3.97Å; F535-H544 HydrophobicContact CE2-CB 3.9Å; F535-H544 AromaticContact CE2-CD2 3.31Å; F535-H544 WeakPolarHBondContact CE2-CD2 3.17Å; F535-H544 AromaticContact CE2-CG 3.54Å; F535-H544 AromaticContact CE2-NE2 3.91Å; F535-H544 HydrophobicContact CZ-CB 3.48Å; F535-H544 VanDerWaalsContact CZ-CB 3.48Å; F535-H544 AromaticContact CZ-CD2 3.43Å; F535-H544 VanDerWaalsContact CZ-CD2 3.43Å; F535-H544 WeakPolarHBondContact CZ-CD2 3.24Å; F535-H544 AromaticContact CZ-CE1 3.98Å; F535-H544 AromaticContact CZ-CG 3.16Å; F535-H544 AromaticContact CZ-ND1 3.56Å; F535-H544 AromaticContact CZ-NE2 3.93Å
536	N	69	Low	74.5	Confident	75 Å²	75	74 Å²	74	40%	0.401	38%	0.378	S	S	.	.	S	Bend	trans	-94.1	17.7	-177	63.7	2.3	0	0	0	114	K520	K520-N536 WeakPolarHBondContact CA-O 3.45Å; K520-N536 WeakPolarHBondContact CB-O 3.49Å; K520-N536 HydrophobicContact CG-CB 4.06Å; K520-N536 WeakPolarHBondContact CG-O 3.11Å
537	D	75.3	Confident	74.5	Confident	28 Å²	28	72.8 Å²	72.8	15%	0.15	38%	0.375	C	S	.	.	S	Bend	trans	-165.5	126.3	-173.5	-178.5	-30.3	0	0	0	107.8	K516 F535 G539 N540 K541	K516-D537 WeakPolarHBondContact CE-OD2 3.4Å; K516-D537 VanDerWaalsContact NZ-CG 3.26Å; K516-D537 IonicContact NZ-OD1 2.74Å; K516-D537 PolarHBondContact NZ-OD1 3.2Å; K516-D537 IonicContact NZ-OD2 2.62Å; K516-D537 PolarHBondContact NZ-OD2 3.11Å; F535-D537 VanDerWaalsContact C-N 3.35Å; F535-D537 PolarHBondContact O-N 3.26Å; D537-G539 PolarHBondContact O-N 3.37Å; D537-G539 WeakPolarHBondContact OD1-CA 3.41Å; D537-G539 PolarHBondContact OD1-N 2.97Å; D537-N540 HydrophobicContact CB-CB 3.96Å; D537-N540 WeakPolarHBondContact CB-ND2 3.26Å; D537-N540 WeakPolarHBondContact O-CA 3.25Å; D537-N540 PolarHBondContact O-N 2.59Å; D537-K541 PolarHBondContact O-N 2.91Å
538	T	75.8	Confident	74	Confident	69 Å²	69	73.1 Å²	73.1	42%	0.423	38%	0.376	S	S	.	.	H	α-helix	trans	-58.2	-33.4	179.9	-49	0	0	0	0	111.4	E519 K542	E519-T538 VanDerWaalsContact OE1-CB 3.27Å; E519-T538 WeakPolarHBondContact OE1-CB 3.5Å; E519-T538 PolarHBondContact OE1-N 3.14Å; E519-T538 PolarHBondContact OE1-OG1 3.02Å; T538-K542 WeakPolarHBondContact O-CB 3.4Å; T538-K542 PolarHBondContact O-N 3.46Å
539	G	75.8	Confident	73.7	Confident	40 Å²	40	76 Å²	76	41%	0.412	39%	0.389	S	S	.	.	H	α-helix	trans	-69.4	-31.5	173.9	0	0	0	0	0	113.6	D537 R543	D537-G539 PolarHBondContact O-N 3.37Å; D537-G539 WeakPolarHBondContact OD1-CA 3.41Å; D537-G539 PolarHBondContact OD1-N 2.97Å; G539-R543 VanDerWaalsContact O-CB 3.25Å; G539-R543 WeakPolarHBondContact O-CB 3.49Å; G539-R543 PolarHBondContact O-N 3.08Å
540	N	76.6	Confident	73.3	Confident	44 Å²	44	70.3 Å²	70.3	24%	0.235	37%	0.373	C	S	.	.	H	α-helix	trans	-73.8	-42.3	172.5	-75.7	-34.5	0	0	0	111.6	F535 D537 K542 R543 H544	F535-N540 HydrophobicContact CB-CB 4.43Å; F535-N540 HydrophobicContact CD1-CB 4.09Å; D537-N540 HydrophobicContact CB-CB 3.96Å; D537-N540 WeakPolarHBondContact CB-ND2 3.26Å; D537-N540 WeakPolarHBondContact O-CA 3.25Å; D537-N540 PolarHBondContact O-N 2.59Å; N540-K542 PolarHBondContact O-N 3.27Å; N540-R543 PolarHBondContact O-N 2.87Å; N540-R543 PolarHBondContact OD1-NH2 3.41Å; N540-H544 VanDerWaalsContact O-CB 3.27Å; N540-H544 WeakPolarHBondContact O-CB 3.49Å; N540-H544 PolarHBondContact O-N 2.61Å
541	K	78.4	Confident	72.6	Confident	33 Å²	33	68.4 Å²	68.4	14%	0.143	38%	0.378	C	S	.	.	H	α-helix	trans	-54.9	-51.3	170.8	171.7	171.3	169.5	169.7	0	110.7	F526 P527 E529 F535 D537 R543 H544 I545	F526-K541 HydrophobicContact CB-CB 4.33Å; F526-K541 HydrophobicContact CB-CD 3.74Å; P527-K541 WeakPolarHBondContact O-CD 3.18Å; P527-K541 WeakPolarHBondContact O-CE 3.35Å; P527-K541 PolarHBondContact O-NZ 3.3Å; E529-K541 WeakPolarHBondContact OE1-CE 3.3Å; E529-K541 IonicContact OE1-NZ 3.21Å; E529-K541 PolarHBondContact OE1-NZ 3.47Å; F535-K541 HydrophobicContact CB-CB 4.02Å; F535-K541 HydrophobicContact CD2-CB 4.15Å; F535-K541 HydrophobicContact CG-CB 4.26Å; D537-K541 PolarHBondContact O-N 2.91Å; K541-R543 PolarHBondContact O-N 3.01Å; K541-H544 PolarHBondContact O-N 3.43Å; K541-I545 HydrophobicContact CG-CD1 3.78Å; K541-I545 WeakPolarHBondContact O-CG1 3.41Å; K541-I545 PolarHBondContact O-N 3.29Å
542	K	76.1	Confident	71.9	Confident	154 Å²	154	74 Å²	74	67%	0.67	40%	0.396	S	S	*	.	H	α-helix	trans	-61.6	-43.2	-179.8	-172.6	164.9	-174	163.4	0	112.9	T538 N540 I545 E546	T538-K542 WeakPolarHBondContact O-CB 3.4Å; T538-K542 PolarHBondContact O-N 3.46Å; N540-K542 PolarHBondContact O-N 3.27Å; K542-I545 PolarHBondContact O-N 3.46Å; K542-E546 WeakPolarHBondContact O-CB 3.27Å; K542-E546 PolarHBondContact O-N 3.34Å
543	R	73.6	Confident	71.2	Confident	121 Å²	121	78.8 Å²	78.8	46%	0.457	40%	0.398	S	S	.	.	H	α-helix	trans	-66.7	-37.9	176	179.9	167.6	61.2	124.5	-3.7	112.4	G539 N540 K541 E546 C547 E566	G539-R543 VanDerWaalsContact O-CB 3.25Å; G539-R543 WeakPolarHBondContact O-CB 3.49Å; G539-R543 PolarHBondContact O-N 3.08Å; N540-R543 PolarHBondContact O-N 2.87Å; N540-R543 PolarHBondContact OD1-NH2 3.41Å; K541-R543 PolarHBondContact O-N 3.01Å; R543-E546 PolarHBondContact O-N 3.11Å; R543-C547 VanDerWaalsContact O-CB 3.27Å; R543-C547 WeakPolarHBondContact O-CB 3.42Å; R543-C547 PolarHBondContact O-N 3.06Å; R543-C547 PolarHBondContact O-SG 3.35Å; R543-E566 WeakPolarHBondContact CD-OE1 3.12Å; R543-E566 IonicContact CZ-OE1 3.16Å; R543-E566 IonicContact NH1-OE1 2.64Å; R543-E566 PolarHBondContact NH1-OE1 3.01Å
544	H	77.8	Confident	70.8	Confident	25 Å²	25	76.6 Å²	76.6	12%	0.116	39%	0.393	C	S	.	.	H	α-helix	trans	-64.3	-46.6	174.3	166.4	74.2	0	0	0	111.3	C531 F535 N540 K541 E546 C547 T548 H549	C531-H544 PolarHBondContact SG-NE2 3.23Å; F535-H544 HydrophobicContact CE1-CB 3.82Å; F535-H544 AromaticContact CE1-CG 3.97Å; F535-H544 HydrophobicContact CE2-CB 3.9Å; F535-H544 AromaticContact CE2-CD2 3.31Å; F535-H544 WeakPolarHBondContact CE2-CD2 3.17Å; F535-H544 AromaticContact CE2-CG 3.54Å; F535-H544 AromaticContact CE2-NE2 3.91Å; F535-H544 HydrophobicContact CZ-CB 3.48Å; F535-H544 VanDerWaalsContact CZ-CB 3.48Å; F535-H544 AromaticContact CZ-CD2 3.43Å; F535-H544 VanDerWaalsContact CZ-CD2 3.43Å; F535-H544 WeakPolarHBondContact CZ-CD2 3.24Å; F535-H544 AromaticContact CZ-CE1 3.98Å; F535-H544 AromaticContact CZ-CG 3.16Å; F535-H544 AromaticContact CZ-ND1 3.56Å; F535-H544 AromaticContact CZ-NE2 3.93Å; N540-H544 VanDerWaalsContact O-CB 3.27Å; N540-H544 WeakPolarHBondContact O-CB 3.49Å; N540-H544 PolarHBondContact O-N 2.61Å; K541-H544 PolarHBondContact O-N 3.43Å; H544-E546 VanDerWaalsContact C-N 3.34Å; H544-E546 PolarHBondContact O-N 3.06Å; H544-C547 PolarHBondContact O-N 3.37Å; H544-T548 PolarHBondContact CE1-OG1 3.36Å; H544-T548 PolarHBondContact ND1-OG1 3.49Å; H544-T548 WeakPolarHBondContact O-CB 3.22Å; H544-T548 PolarHBondContact O-N 3Å; H544-H549 AromaticContact NE2-CD2 3.88Å; H544-H549 AromaticContact NE2-NE2 3.54Å
545	I	75.3	Confident	70.7	Confident	46 Å²	46	73.8 Å²	73.8	24%	0.236	38%	0.377	C	S	.	.	I	π-helix	trans	-56.8	-49.4	173.5	-68.4	165.9	0	0	0	109.9	C528 I530 K541 K542 C547 H549 G550	C528-I545 VanDerWaalsContact SG-CG1 3.59Å; I530-I545 HydrophobicContact CD1-CG2 4.25Å; K541-I545 HydrophobicContact CG-CD1 3.78Å; K541-I545 WeakPolarHBondContact O-CG1 3.41Å; K541-I545 PolarHBondContact O-N 3.29Å; K542-I545 PolarHBondContact O-N 3.46Å; I545-C547 VanDerWaalsContact C-N 3.32Å; I545-C547 PolarHBondContact O-N 3.02Å; I545-H549 CarbonylContact O-C 3.56Å; I545-H549 PolarHBondContact O-N 3.19Å; I545-G550 PolarHBondContact O-N 2.95Å
546	E	72.3	Confident	70.8	Confident	92 Å²	92	76.2 Å²	76.2	43%	0.43	40%	0.395	S	S	.	.	I	π-helix	trans	-60.7	-35.7	178	-176.2	170.5	-162.9	0	0	113.7	K542 R543 H544 K554	K542-E546 WeakPolarHBondContact O-CB 3.27Å; K542-E546 PolarHBondContact O-N 3.34Å; R543-E546 PolarHBondContact O-N 3.11Å; H544-E546 VanDerWaalsContact C-N 3.34Å; H544-E546 PolarHBondContact O-N 3.06Å; E546-K554 IonicContact OE1-NZ 3.76Å; E546-K554 PolarHBondContact OE1-NZ 2.94Å
547	C	66.2	Low	71.4	Confident	27 Å²	27	72.7 Å²	72.7	18%	0.182	38%	0.376	C	S	.	.	I	π-helix	trans	-89.5	-32.8	-176.8	-67.9	0	0	0	0	114.4	R543 H544 I545 R565	R543-C547 VanDerWaalsContact O-CB 3.27Å; R543-C547 WeakPolarHBondContact O-CB 3.42Å; R543-C547 PolarHBondContact O-N 3.06Å; R543-C547 PolarHBondContact O-SG 3.35Å; H544-C547 PolarHBondContact O-N 3.37Å; I545-C547 VanDerWaalsContact C-N 3.32Å; I545-C547 PolarHBondContact O-N 3.02Å; C547-R565 WeakPolarHBondContact O-CD 3.29Å; C547-R565 PolarHBondContact O-NH1 2.77Å
548	T	64.1	Low	71.4	Confident	72 Å²	72	79.8 Å²	79.8	44%	0.442	41%	0.406	S	S	.	.	I	π-helix	trans	-98.5	-43.7	-175	-62.6	0	0	0	0	111.6	H544	H544-T548 PolarHBondContact CE1-OG1 3.36Å; H544-T548 PolarHBondContact ND1-OG1 3.49Å; H544-T548 WeakPolarHBondContact O-CB 3.22Å; H544-T548 PolarHBondContact O-N 3Å
549	H	71.1	Confident	71.6	Confident	61 Å²	61	80.1 Å²	80.1	28%	0.282	41%	0.408	S	S	.	.	I	π-helix	trans	-106.8	-27.5	-173.6	-57.3	-76.9	0	0	0	112.9	I530 C531 H544 I545 G551	I530-H549 HydrophobicContact CD1-CB 3.68Å; I530-H549 HydrophobicContact CG2-CB 4.42Å; I530-H549 VanDerWaalsContact CG2-ND1 3.32Å; I530-H549 WeakPolarHBondContact CG2-ND1 3.29Å; C531-H549 PolarHBondContact SG-NE2 3.49Å; H544-H549 AromaticContact NE2-CD2 3.88Å; H544-H549 AromaticContact NE2-NE2 3.54Å; I545-H549 CarbonylContact O-C 3.56Å; I545-H549 PolarHBondContact O-N 3.19Å; H549-G551 PolarHBondContact O-N 3.31Å
550	G	66.5	Low	71.6	Confident	38 Å²	38	80.7 Å²	80.7	39%	0.392	41%	0.405	S	S	.	.	S	Bend	trans	-69.3	-4.3	-173	0	0	0	0	0	116.4	I545 K552	I545-G550 PolarHBondContact O-N 2.95Å; G550-K552 PolarHBondContact O-N 2.85Å
551	G	60.1	Low	71.5	Confident	60 Å²	60	81.2 Å²	81.2	62%	0.619	42%	0.421	S	S	*	.			trans	65.1	-39.4	171.6	0	0	0	0	0	117.6	H549 R553	H549-G551 PolarHBondContact O-N 3.31Å; G551-R553 PolarHBondContact O-N 3.47Å
552	K	59.6	Low	71.4	Confident	168 Å²	168	86.2 Å²	86.2	73%	0.73	44%	0.443	S	S	*	.			trans	-78.4	95	-167.3	-62.6	179.6	-176.5	-174.7	0	110.4	G550 K554	G550-K552 PolarHBondContact O-N 2.85Å; K552-K554 HydrophobicContact CB-CG 4.45Å; K552-K554 WeakPolarHBondContact O-CG 3.21Å; K552-K554 PolarHBondContact O-N 3.09Å
553	R	59.3	Low	71.5	Confident	153 Å²	153	81.4 Å²	81.4	58%	0.577	43%	0.429	S	S	*	.			trans	-69.4	75.5	172	-65.4	178	171.7	95	-10.6	110.8	G551 W555 S563 V564 R565	G551-R553 PolarHBondContact O-N 3.47Å; R553-W555 PolarHBondContact O-N 3.13Å; R553-S563 WeakPolarHBondContact CD-OG 3.39Å; R553-V564 CarbonylContact C-O 3.51Å; R553-R565 HydrophobicContact CG-CG 4.27Å
554	K	65.8	Low	71.7	Confident	118 Å²	118	77.3 Å²	77.3	51%	0.513	42%	0.417	S	S	.	.			trans	-60.8	-9.6	-169.6	-71.7	168.1	-170.9	178.7	0	116.7	E546 K552	E546-K554 IonicContact OE1-NZ 3.76Å; E546-K554 PolarHBondContact OE1-NZ 2.94Å; K552-K554 HydrophobicContact CB-CG 4.45Å; K552-K554 WeakPolarHBondContact O-CG 3.21Å; K552-K554 PolarHBondContact O-N 3.09Å
555	W	71.4	Confident	71.4	Confident	84 Å²	84	82.8 Å²	82.8	32%	0.318	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	87.3	-170.9	-61.4	101.1	0	0	0	111.3	R553 V564 R567 L570	R553-W555 PolarHBondContact O-N 3.13Å; W555-V564 PolarHBondContact N-O 2.9Å; W555-V564 VanDerWaalsContact N-O 3.13Å; W555-V564 PolarHBondContact O-N 2.84Å; W555-R567 HydrophobicContact CD2-CB 3.92Å; W555-R567 HydrophobicContact CD2-CG 4.09Å; W555-R567 HydrophobicContact CE3-CB 4.39Å; W555-R567 HydrophobicContact CE3-CG 4.04Å; W555-R567 HydrophobicContact CG-CB 4.23Å; W555-R567 HydrophobicContact CZ2-CB 4.49Å; W555-R567 HydrophobicContact CZ3-CG 4.34Å; W555-L570 HydrophobicContact CB-CB 4Å; W555-L570 HydrophobicContact CB-CD2 3.79Å; W555-L570 HydrophobicContact CB-CG 4.48Å; W555-L570 HydrophobicContact CE3-CD2 4.41Å
556	T	75.9	Confident	71.4	Confident	93 Å²	93	83.3 Å²	83.3	57%	0.571	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	142.5	174.7	39.6	0	0	0	0	112.6	L570	T556-L570 WeakPolarHBondContact O-CD2 3.43Å
557	C	82.9	Confident	71.6	Confident	1 Å²	1	86.1 Å²	86.1	1%	0.007	45%	0.445	C	S	.	.			trans	-88.1	114.2	167.5	-178.3	0	0	0	0	110.4	V559 C560 G561 K562 L570 H573 H577	C557-V559 VanDerWaalsContact C-N 3.31Å; C557-V559 PolarHBondContact O-N 2.95Å; C557-C560 PolarHBondContact O-N 2.56Å; C557-G561 WeakPolarHBondContact O-CA 3.34Å; C557-G561 PolarHBondContact O-N 3.06Å; C557-K562 WeakPolarHBondContact CB-O 3.34Å; C557-K562 PolarHBondContact N-O 3.33Å; C557-L570 HydrophobicContact CB-CD1 3.72Å; C557-H573 PolarHBondContact SG-CD2 3.39Å; C557-H573 PolarHBondContact SG-NE2 3.3Å; C557-H573 VanDerWaalsContact SG-NE2 3.39Å; C557-H577 PolarHBondContact SG-NE2 2.93Å
558	F	75.9	Confident	72.3	Confident	176 Å²	176	88.5 Å²	88.5	77%	0.772	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-41.4	178.4	61.6	-84.6	0	0	0	113.1	C560 L574	F558-C560 VanDerWaalsContact C-N 3.33Å; F558-C560 PolarHBondContact O-N 2.65Å; F558-L574 HydrophobicContact CD1-CD2 4.09Å; F558-L574 HydrophobicContact CE1-CD1 4.4Å; F558-L574 HydrophobicContact CE1-CD2 3.52Å; F558-L574 HydrophobicContact CZ-CD2 4.17Å
559	V	78.1	Confident	73.1	Confident	77 Å²	77	87.4 Å²	87.4	47%	0.467	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-24.2	-176.7	-167.3	0	0	0	0	114.6	C557 H577	C557-V559 VanDerWaalsContact C-N 3.31Å; C557-V559 PolarHBondContact O-N 2.95Å; V559-H577 HydrophobicContact CB-CB 4.24Å; V559-H577 HydrophobicContact CG1-CB 3.97Å; V559-H577 HydrophobicContact CG2-CB 3.98Å
560	C	76	Confident	73.6	Confident	51 Å²	51	85.4 Å²	85.4	35%	0.345	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.2	20.5	-173.1	73.2	0	0	0	0	115.3	C557 F558 K562 H573 H577	C557-C560 PolarHBondContact O-N 2.56Å; F558-C560 VanDerWaalsContact C-N 3.33Å; F558-C560 PolarHBondContact O-N 2.65Å; C560-K562 PolarHBondContact O-N 3.47Å; C560-H573 PolarHBondContact SG-NE2 3.48Å; C560-H577 VanDerWaalsContact SG-CE1 3.59Å
561	G	74.4	Confident	74.3	Confident	56 Å²	56	91.3 Å²	91.3	58%	0.577	45%	0.453	S	S	*	.			trans	66.5	-19.8	178.7	0	0	0	0	0	116.6	C557 S563	C557-G561 WeakPolarHBondContact O-CA 3.34Å; C557-G561 PolarHBondContact O-N 3.06Å; G561-S563 PolarHBondContact O-N 3.29Å; G561-S563 VanDerWaalsContact O-N 3.09Å
562	K	77.8	Confident	75.4	Confident	137 Å²	137	92.4 Å²	92.4	60%	0.596	44%	0.442	S	S	*	.			trans	-58.2	115.3	-169.7	-71.5	178.7	-174.8	178.2	0	111.8	C557 C560	C557-K562 WeakPolarHBondContact CB-O 3.34Å; C557-K562 PolarHBondContact N-O 3.33Å; C560-K562 PolarHBondContact O-N 3.47Å
563	S	77.9	Confident	76.5	Confident	54 Å²	54	86 Å²	86	38%	0.378	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	131.9	179.5	57	0	0	0	0	111.2	R553 G561	R553-S563 WeakPolarHBondContact CD-OG 3.39Å; G561-S563 PolarHBondContact O-N 3.29Å; G561-S563 VanDerWaalsContact O-N 3.09Å
564	V	77	Confident	77.6	Confident	35 Å²	35	81 Å²	81	21%	0.212	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	158.2	-173.6	-145.3	0	0	0	0	110.2	R553 W555 T569 L570	R553-V564 CarbonylContact C-O 3.51Å; W555-V564 PolarHBondContact N-O 2.9Å; W555-V564 VanDerWaalsContact N-O 3.13Å; W555-V564 PolarHBondContact O-N 2.84Å; V564-T569 WeakPolarHBondContact CG1-OG1 3.36Å; V564-L570 HydrophobicContact CG2-CB 4.35Å; V564-L570 HydrophobicContact CG2-CD1 4.18Å
565	R	71.9	Confident	78.5	Confident	140 Å²	140	77.6 Å²	77.6	53%	0.528	38%	0.384	S	S	.	.	S	Bend	trans	-87.7	-42.9	-170.4	-64.4	-175.1	-84.1	-163.9	-3.4	113.2	C547 R553	C547-R565 WeakPolarHBondContact O-CD 3.29Å; C547-R565 PolarHBondContact O-NH1 2.77Å; R553-R565 HydrophobicContact CG-CG 4.27Å
566	E	75.7	Confident	79	Confident	56 Å²	56	78.1 Å²	78.1	26%	0.262	39%	0.392	S	S	.	.	S	Bend	trans	-109.2	142.2	177.3	-54.5	-170.3	156.2	0	0	112.2	R543 T568 T569 L570	R543-E566 WeakPolarHBondContact CD-OE1 3.12Å; R543-E566 IonicContact CZ-OE1 3.16Å; R543-E566 IonicContact NH1-OE1 2.64Å; R543-E566 PolarHBondContact NH1-OE1 3.01Å; E566-T568 WeakPolarHBondContact CB-OG1 3.08Å; E566-T568 PolarHBondContact O-N 2.84Å; E566-T568 PolarHBondContact OE2-OG1 3.06Å; E566-T569 HydrophobicContact CB-CG2 4.31Å; E566-T569 PolarHBondContact N-OG1 3.27Å; E566-T569 PolarHBondContact O-N 2.77Å; E566-T569 PolarHBondContact O-OG1 3.32Å; E566-L570 PolarHBondContact O-N 2.67Å
567	R	76.4	Confident	79.2	Confident	152 Å²	152	76.9 Å²	76.9	57%	0.574	38%	0.38	S	S	*	.	H	α-helix	trans	-61.2	-30.1	175.5	-167.1	-171.7	-65.7	164.7	-0.6	112.9	W555 R571	W555-R567 HydrophobicContact CD2-CB 3.92Å; W555-R567 HydrophobicContact CD2-CG 4.09Å; W555-R567 HydrophobicContact CE3-CB 4.39Å; W555-R567 HydrophobicContact CE3-CG 4.04Å; W555-R567 HydrophobicContact CG-CB 4.23Å; W555-R567 HydrophobicContact CZ2-CB 4.49Å; W555-R567 HydrophobicContact CZ3-CG 4.34Å; R567-R571 PolarHBondContact O-N 2.68Å
568	T	79.8	Confident	79	Confident	76 Å²	76	80.1 Å²	80.1	47%	0.466	40%	0.402	S	S	.	.	H	α-helix	trans	-55.6	-57.1	168	34.5	0	0	0	0	110.7	E566 L570 R571 E572	E566-T568 WeakPolarHBondContact CB-OG1 3.08Å; E566-T568 PolarHBondContact O-N 2.84Å; E566-T568 PolarHBondContact OE2-OG1 3.06Å; T568-L570 VanDerWaalsContact C-N 3.33Å; T568-L570 PolarHBondContact O-N 2.84Å; T568-R571 PolarHBondContact O-N 3.1Å; T568-R571 VanDerWaalsContact O-N 3.1Å; T568-E572 PolarHBondContact O-N 3.38Å
569	T	82.1	Confident	79.2	Confident	50 Å²	50	74 Å²	74	31%	0.307	39%	0.388	S	S	.	.	H	α-helix	trans	-64.4	-32.5	-179.9	56.5	0	0	0	0	113.3	V564 E566 H573	V564-T569 WeakPolarHBondContact CG1-OG1 3.36Å; E566-T569 HydrophobicContact CB-CG2 4.31Å; E566-T569 PolarHBondContact N-OG1 3.27Å; E566-T569 PolarHBondContact O-N 2.77Å; E566-T569 PolarHBondContact O-OG1 3.32Å; T569-H573 VanDerWaalsContact O-CB 3.3Å; T569-H573 WeakPolarHBondContact O-CB 2.97Å; T569-H573 PolarHBondContact O-N 2.88Å
570	L	81.8	Confident	79.3	Confident	18 Å²	18	75.3 Å²	75.3	9%	0.094	39%	0.389	C	S	.	.	H	α-helix	trans	-65.2	-45.9	169.7	176.7	61.9	0	0	0	111.7	W555 T556 C557 V564 E566 T568 E572 H573 L574	W555-L570 HydrophobicContact CB-CB 4Å; W555-L570 HydrophobicContact CB-CD2 3.79Å; W555-L570 HydrophobicContact CB-CG 4.48Å; W555-L570 HydrophobicContact CE3-CD2 4.41Å; T556-L570 WeakPolarHBondContact O-CD2 3.43Å; C557-L570 HydrophobicContact CB-CD1 3.72Å; V564-L570 HydrophobicContact CG2-CB 4.35Å; V564-L570 HydrophobicContact CG2-CD1 4.18Å; E566-L570 PolarHBondContact O-N 2.67Å; T568-L570 VanDerWaalsContact C-N 3.33Å; T568-L570 PolarHBondContact O-N 2.84Å; L570-E572 VanDerWaalsContact C-N 3.3Å; L570-E572 PolarHBondContact O-N 3Å; L570-H573 CarbonylContact O-C 3.48Å; L570-H573 WeakPolarHBondContact O-CA 3.48Å; L570-H573 WeakPolarHBondContact O-CB 3.16Å; L570-H573 PolarHBondContact O-N 3.06Å; L570-H573 VanDerWaalsContact O-N 3.1Å; L570-L574 HydrophobicContact CD1-CG 4.19Å; L570-L574 HydrophobicContact CG-CD1 4.28Å; L570-L574 HydrophobicContact CG-CG 4.38Å; L570-L574 WeakPolarHBondContact O-CG 3.39Å; L570-L574 PolarHBondContact O-N 3.23Å
571	R	80.7	Confident	79.7	Confident	162 Å²	162	78.5 Å²	78.5	61%	0.611	40%	0.397	S	S	*	.	H	α-helix	trans	-61.7	-38.9	177	-175.3	-175.9	-67.6	148.9	-3.8	112	R567 T568 H573 L574	R567-R571 PolarHBondContact O-N 2.68Å; T568-R571 PolarHBondContact O-N 3.1Å; T568-R571 VanDerWaalsContact O-N 3.1Å; R571-H573 VanDerWaalsContact C-N 3.33Å; R571-L574 PolarHBondContact O-N 3.01Å
572	E	82.3	Confident	80.1	Confident	83 Å²	83	79.2 Å²	79.2	39%	0.388	39%	0.392	S	S	.	.	H	α-helix	trans	-68	-33.8	174.1	-69.2	-171.1	147.2	0	0	112.2	T568 L570 R593	T568-E572 PolarHBondContact O-N 3.38Å; L570-E572 VanDerWaalsContact C-N 3.3Å; L570-E572 PolarHBondContact O-N 3Å; E572-R593 PolarHBondContact O-NE 3.3Å; E572-R593 PolarHBondContact O-NH2 3.45Å
573	H	83.2	Confident	80.4	Confident	33 Å²	33	75.2 Å²	75.2	15%	0.153	38%	0.375	C	S	.	.	H	α-helix	trans	-67.2	-42.6	172.8	173.3	76.6	0	0	0	112.8	C557 C560 T569 L570 R571 R575 I576 H577 R593	C557-H573 PolarHBondContact SG-CD2 3.39Å; C557-H573 PolarHBondContact SG-NE2 3.3Å; C557-H573 VanDerWaalsContact SG-NE2 3.39Å; C560-H573 PolarHBondContact SG-NE2 3.48Å; T569-H573 VanDerWaalsContact O-CB 3.3Å; T569-H573 WeakPolarHBondContact O-CB 2.97Å; T569-H573 PolarHBondContact O-N 2.88Å; L570-H573 CarbonylContact O-C 3.48Å; L570-H573 WeakPolarHBondContact O-CA 3.48Å; L570-H573 WeakPolarHBondContact O-CB 3.16Å; L570-H573 PolarHBondContact O-N 3.06Å; L570-H573 VanDerWaalsContact O-N 3.1Å; R571-H573 VanDerWaalsContact C-N 3.33Å; H573-R575 PolarHBondContact O-N 3.08Å; H573-R575 VanDerWaalsContact O-N 3.07Å; H573-I576 WeakPolarHBondContact ND1-CD1 3.34Å; H573-I576 WeakPolarHBondContact O-CB 3.46Å; H573-I576 PolarHBondContact O-N 3.48Å; H573-H577 AromaticContact CD2-NE2 3.79Å; H573-H577 AromaticContact CE1-NE2 3.78Å; H573-H577 AromaticContact NE2-CE1 3.93Å; H573-H577 AromaticContact NE2-NE2 3.06Å; H573-H577 PolarHBondContact NE2-NE2 3.43Å; H573-R593 PolarHBondContact O-NH2 2.98Å
574	L	82.4	Confident	80.9	Confident	50 Å²	50	78.2 Å²	78.2	26%	0.262	39%	0.386	S	S	.	.	H	α-helix	trans	-56.4	-28.6	-177.1	-75.5	171.5	0	0	0	113.8	F558 L570 R571 I576 H577 S578	F558-L574 HydrophobicContact CD1-CD2 4.09Å; F558-L574 HydrophobicContact CE1-CD1 4.4Å; F558-L574 HydrophobicContact CE1-CD2 3.52Å; F558-L574 HydrophobicContact CZ-CD2 4.17Å; L570-L574 HydrophobicContact CD1-CG 4.19Å; L570-L574 HydrophobicContact CG-CD1 4.28Å; L570-L574 HydrophobicContact CG-CG 4.38Å; L570-L574 WeakPolarHBondContact O-CG 3.39Å; L570-L574 PolarHBondContact O-N 3.23Å; R571-L574 PolarHBondContact O-N 3.01Å; L574-I576 PolarHBondContact O-N 2.64Å; L574-H577 PolarHBondContact O-N 3.3Å; L574-S578 PolarHBondContact O-N 3.15Å
575	R	85	Confident	81.4	Confident	45 Å²	45	76.6 Å²	76.6	17%	0.17	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-4.8	171	-53.7	-178.8	-164.8	140.1	11.5	114.7	H573 G579 E580 R593	H573-R575 PolarHBondContact O-N 3.08Å; H573-R575 VanDerWaalsContact O-N 3.07Å; R575-G579 PolarHBondContact O-N 3.27Å; R575-E580 HydrophobicContact CB-CB 4.15Å; R575-E580 HydrophobicContact CG-CB 4.07Å; R575-R593 VanDerWaalsContact C-CZ 3.43Å; R575-R593 HydrophobicContact CB-CG 3.78Å; R575-R593 PolarHBondContact NH1-O 3.23Å; R575-R593 PolarHBondContact O-NH1 3.06Å
576	I	82.6	Confident	82	Confident	96 Å²	96	75.7 Å²	75.7	49%	0.492	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-46.7	169	-87.9	138.1	0	0	0	107.3	H573 L574 R593	H573-I576 WeakPolarHBondContact ND1-CD1 3.34Å; H573-I576 WeakPolarHBondContact O-CB 3.46Å; H573-I576 PolarHBondContact O-N 3.48Å; L574-I576 PolarHBondContact O-N 2.64Å; I576-R593 VanDerWaalsContact CA-NH1 3.28Å; I576-R593 VanDerWaalsContact CG1-NH2 3.3Å
577	H	79.9	Confident	82.4	Confident	67 Å²	67	77.5 Å²	77.5	31%	0.31	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-39.1	-172.3	-46.2	-60	0	0	0	111.3	C557 V559 C560 H573 L574 G579	C557-H577 PolarHBondContact SG-NE2 2.93Å; V559-H577 HydrophobicContact CB-CB 4.24Å; V559-H577 HydrophobicContact CG1-CB 3.97Å; V559-H577 HydrophobicContact CG2-CB 3.98Å; C560-H577 VanDerWaalsContact SG-CE1 3.59Å; H573-H577 AromaticContact CD2-NE2 3.79Å; H573-H577 AromaticContact CE1-NE2 3.78Å; H573-H577 AromaticContact NE2-CE1 3.93Å; H573-H577 AromaticContact NE2-NE2 3.06Å; H573-H577 PolarHBondContact NE2-NE2 3.43Å; L574-H577 PolarHBondContact O-N 3.3Å; H577-G579 VanDerWaalsContact C-N 3.3Å; H577-G579 PolarHBondContact O-N 2.88Å
578	S	78.3	Confident	82.7	Confident	69 Å²	69	73 Å²	73	48%	0.483	39%	0.393	S	S	.	.	S	Bend	trans	-81	-2.5	174.5	74	0	0	0	0	114.8	L574 E580	L574-S578 PolarHBondContact O-N 3.15Å; S578-E580 PolarHBondContact O-N 3.32Å; S578-E580 WeakPolarHBondContact OG-CG 3.45Å; S578-E580 PolarHBondContact OG-OE1 3.31Å
579	G	80.8	Confident	82.9	Confident	46 Å²	46	71.9 Å²	71.9	47%	0.474	40%	0.397	S	S	.	.			trans	66	-5	-179.6	0	0	0	0	0	116.5	R575 H577 K581	R575-G579 PolarHBondContact O-N 3.27Å; H577-G579 VanDerWaalsContact C-N 3.3Å; H577-G579 PolarHBondContact O-N 2.88Å; G579-K581 PolarHBondContact O-N 3.3Å
580	E	79.9	Confident	83.1	Confident	106 Å²	106	74.8 Å²	74.8	50%	0.495	41%	0.407	S	S	.	.			trans	-51	124.8	-175.3	-84	169.8	-124.2	0	0	114	R575 S578 R593	R575-E580 HydrophobicContact CB-CB 4.15Å; R575-E580 HydrophobicContact CG-CB 4.07Å; S578-E580 PolarHBondContact O-N 3.32Å; S578-E580 WeakPolarHBondContact OG-CG 3.45Å; S578-E580 PolarHBondContact OG-OE1 3.31Å; E580-R593 VanDerWaalsContact O-CB 3.32Å; E580-R593 WeakPolarHBondContact O-CB 3.3Å; E580-R593 WeakPolarHBondContact O-CG 3.41Å
581	K	84.1	Confident	83.3	Confident	117 Å²	117	75.8 Å²	75.8	51%	0.509	42%	0.415	S	S	.	.			trans	-124.3	76.6	175.5	-67	162.9	-178.7	-177.4	0	111.3	G579 H583 S591 F592 R593	G579-K581 PolarHBondContact O-N 3.3Å; K581-H583 PolarHBondContact O-N 3.3Å; K581-S591 WeakPolarHBondContact CD-O 3.35Å; K581-S591 VanDerWaalsContact CD-OG 3.25Å; K581-S591 WeakPolarHBondContact CD-OG 3.46Å; K581-F592 CarbonylContact C-O 3.57Å; K581-F592 WeakPolarHBondContact CA-O 3.46Å; K581-R593 HydrophobicContact CB-CB 4.45Å; K581-R593 HydrophobicContact CG-CB 4Å
582	P	82.4	Confident	83.5	Confident	72 Å²	72	70.1 Å²	70.1	47%	0.468	40%	0.395	S	S	.	.			trans	-70.1	-1.6	-168.9	-20.7	34.7	0	0	0	116.3
583	H	84.1	Confident	83.6	Confident	53 Å²	53	68.3 Å²	68.3	25%	0.245	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	83.7	-175	-53.6	-59.5	0	0	0	110.6	K581 F592 H594 S595 Y598	K581-H583 PolarHBondContact O-N 3.3Å; H583-F592 HydrophobicContact CB-CB 4.23Å; H583-F592 WeakPolarHBondContact CB-O 3.26Å; H583-F592 PolarHBondContact N-O 3.04Å; H583-F592 PolarHBondContact O-N 3.34Å; H583-H594 VanDerWaalsContact CD2-C 3.45Å; H583-S595 PolarHBondContact CD2-N 2.95Å; H583-S595 VanDerWaalsContact CD2-N 3.31Å; H583-S595 PolarHBondContact NE2-N 3.35Å; H583-Y598 HydrophobicContact CB-CD1 3.8Å; H583-Y598 HydrophobicContact CB-CD2 4.46Å; H583-Y598 HydrophobicContact CB-CG 3.72Å
584	L	87.8	Confident	83.7	Confident	116 Å²	116	69.8 Å²	69.8	61%	0.607	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	137.3	173.8	-75	152.2	0	0	0	110.9	Y598	L584-Y598 PolarHBondContact O-OH 2.85Å
585	C	88.9	Confident	83.7	Confident	2 Å²	2	70.1 Å²	70.1	1%	0.014	40%	0.398	C	S	.	.			trans	-90	115.2	171.7	-173.2	0	0	0	0	111.2	I587 C588 G589 Q590 F592 Y598 H601	C585-I587 PolarHBondContact O-N 2.93Å; C585-I587 VanDerWaalsContact O-N 3.11Å; C585-C588 PolarHBondContact O-N 3.33Å; C585-G589 WeakPolarHBondContact O-CA 3.49Å; C585-G589 PolarHBondContact O-N 3.41Å; C585-Q590 VanDerWaalsContact CB-O 3.29Å; C585-Q590 WeakPolarHBondContact CB-O 3.37Å; C585-Q590 PolarHBondContact N-O 2.67Å; C585-F592 HydrophobicContact CB-CE2 4.31Å; C585-Y598 HydrophobicContact CB-CD2 4.46Å; C585-Y598 HydrophobicContact CB-CE2 3.82Å; C585-H601 VanDerWaalsContact SG-CD2 3.57Å; C585-H601 PolarHBondContact SG-NE2 2.85Å; C585-H601 VanDerWaalsContact SG-NE2 3.35Å
586	S	83.1	Confident	83.7	Confident	120 Å²	120	71 Å²	71	84%	0.839	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-13.2	179.2	-50.1	0	0	0	0	114.7
587	I	84.5	Confident	83.8	Confident	95 Å²	95	68.5 Å²	68.5	49%	0.487	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-29.2	-174.7	-55.3	174.2	0	0	0	112	C585 L602 H605	C585-I587 PolarHBondContact O-N 2.93Å; C585-I587 VanDerWaalsContact O-N 3.11Å; I587-L602 HydrophobicContact CD1-CD2 4.49Å; I587-H605 HydrophobicContact CD1-CB 3.59Å; I587-H605 HydrophobicContact CG2-CB 4.17Å
588	C	83.6	Confident	84.2	Confident	57 Å²	57	67.6 Å²	67.6	39%	0.385	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145	17.9	-178.4	68.9	0	0	0	0	115	C585 Q590 H601 H605	C585-C588 PolarHBondContact O-N 3.33Å; C588-Q590 PolarHBondContact O-N 3.08Å; C588-H601 PolarHBondContact SG-NE2 3.39Å; C588-H605 VanDerWaalsContact SG-CE1 3.52Å; C588-H605 PolarHBondContact SG-NE2 3.28Å
589	G	82.8	Confident	84.5	Confident	52 Å²	52	71.7 Å²	71.7	54%	0.536	40%	0.401	S	S	.	.			trans	68.9	-15	179.1	0	0	0	0	0	115.9	C585 S591	C585-G589 WeakPolarHBondContact O-CA 3.49Å; C585-G589 PolarHBondContact O-N 3.41Å; G589-S591 PolarHBondContact O-N 2.83Å
590	Q	86	Confident	84.6	Confident	112 Å²	112	71.6 Å²	71.6	52%	0.523	39%	0.39	S	S	.	.			trans	-57.8	126.7	-173.5	-74.7	-64.4	-32.6	0	0	112.3	C585 C588 F592	C585-Q590 VanDerWaalsContact CB-O 3.29Å; C585-Q590 WeakPolarHBondContact CB-O 3.37Å; C585-Q590 PolarHBondContact N-O 2.67Å; C588-Q590 PolarHBondContact O-N 3.08Å; Q590-F592 HydrophobicContact CB-CE2 3.59Å; Q590-F592 HydrophobicContact CB-CZ 3.86Å; Q590-F592 WeakPolarHBondContact O-CD2 3.09Å; Q590-F592 VanDerWaalsContact O-CE2 3.3Å; Q590-F592 WeakPolarHBondContact O-CE2 3.16Å
591	S	86.3	Confident	84.9	Confident	38 Å²	38	68.1 Å²	68.1	27%	0.266	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	124.6	-173.1	49.9	0	0	0	0	111.3	K581 G589	K581-S591 WeakPolarHBondContact CD-O 3.35Å; K581-S591 VanDerWaalsContact CD-OG 3.25Å; K581-S591 WeakPolarHBondContact CD-OG 3.46Å; G589-S591 PolarHBondContact O-N 2.83Å
592	F	85.5	Confident	84.9	Confident	43 Å²	43	64.5 Å²	64.5	19%	0.189	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	144.1	-175.9	-62.2	-87.4	0	0	0	111.6	K581 H583 C585 Q590 Y598 H601	K581-F592 CarbonylContact C-O 3.57Å; K581-F592 WeakPolarHBondContact CA-O 3.46Å; H583-F592 HydrophobicContact CB-CB 4.23Å; H583-F592 WeakPolarHBondContact CB-O 3.26Å; H583-F592 PolarHBondContact N-O 3.04Å; H583-F592 PolarHBondContact O-N 3.34Å; C585-F592 HydrophobicContact CB-CE2 4.31Å; Q590-F592 HydrophobicContact CB-CE2 3.59Å; Q590-F592 HydrophobicContact CB-CZ 3.86Å; Q590-F592 WeakPolarHBondContact O-CD2 3.09Å; Q590-F592 VanDerWaalsContact O-CE2 3.3Å; Q590-F592 WeakPolarHBondContact O-CE2 3.16Å; F592-Y598 AromaticContact CD2-CD2 3.92Å; F592-Y598 HydrophobicContact CD2-CD2 3.92Å; F592-H601 HydrophobicContact CE1-CB 3.94Å; F592-H601 HydrophobicContact CE2-CB 3.86Å; F592-H601 AromaticContact CE2-CD2 3.2Å; F592-H601 WeakPolarHBondContact CE2-CD2 3.45Å; F592-H601 AromaticContact CE2-CG 3.46Å; F592-H601 VanDerWaalsContact CE2-CG 3.46Å; F592-H601 AromaticContact CE2-NE2 3.74Å; F592-H601 HydrophobicContact CZ-CB 3.53Å; F592-H601 AromaticContact CZ-CD2 3.49Å; F592-H601 VanDerWaalsContact CZ-CD2 3.49Å; F592-H601 WeakPolarHBondContact CZ-CD2 3.37Å; F592-H601 AromaticContact CZ-CE1 3.98Å; F592-H601 AromaticContact CZ-CG 3.22Å; F592-H601 AromaticContact CZ-ND1 3.58Å; F592-H601 AromaticContact CZ-NE2 3.94Å
593	R	84.7	Confident	84.9	Confident	46 Å²	46	64.3 Å²	64.3	17%	0.174	35%	0.349	C	S	.	.	S	Bend	trans	-99.3	-13.7	-173.2	164	-90.3	-171.4	67.8	-1.4	114.3	E572 H573 R575 I576 E580 K581	E572-R593 PolarHBondContact O-NE 3.3Å; E572-R593 PolarHBondContact O-NH2 3.45Å; H573-R593 PolarHBondContact O-NH2 2.98Å; R575-R593 VanDerWaalsContact C-CZ 3.43Å; R575-R593 HydrophobicContact CB-CG 3.78Å; R575-R593 PolarHBondContact NH1-O 3.23Å; R575-R593 PolarHBondContact O-NH1 3.06Å; I576-R593 VanDerWaalsContact CA-NH1 3.28Å; I576-R593 VanDerWaalsContact CG1-NH2 3.3Å; E580-R593 VanDerWaalsContact O-CB 3.32Å; E580-R593 WeakPolarHBondContact O-CB 3.3Å; E580-R593 WeakPolarHBondContact O-CG 3.41Å; K581-R593 HydrophobicContact CB-CB 4.45Å; K581-R593 HydrophobicContact CG-CB 4Å
594	H	84.2	Confident	84.8	Confident	63 Å²	63	65.2 Å²	65.2	29%	0.292	36%	0.359	S	S	.	.	S	Bend	trans	-124.5	139.7	168.8	-60	145.1	0	0	0	110.5	H583 S596 S597 Y598	H583-H594 VanDerWaalsContact CD2-C 3.45Å; H594-S596 PolarHBondContact O-N 3.17Å; H594-S597 WeakPolarHBondContact O-CB 3.19Å; H594-S597 PolarHBondContact O-N 3.17Å; H594-Y598 PolarHBondContact O-N 2.89Å
595	S	83.6	Confident	84.4	Confident	57 Å²	57	62.8 Å²	62.8	40%	0.399	34%	0.344	S	S	.	.	H	α-helix	trans	-67.5	-22.3	-179.9	65.4	0	0	0	0	113.4	H583 R599	H583-S595 PolarHBondContact CD2-N 2.95Å; H583-S595 VanDerWaalsContact CD2-N 3.31Å; H583-S595 PolarHBondContact NE2-N 3.35Å; S595-R599 WeakPolarHBondContact O-CG 3.45Å; S595-R599 PolarHBondContact O-N 3.34Å; S595-R599 VanDerWaalsContact O-N 3.09Å; S595-R599 PolarHBondContact O-NE 2.92Å; S595-R599 VanDerWaalsContact O-NE 3.16Å
596	S	84.3	Confident	83.8	Confident	63 Å²	63	69.4 Å²	69.4	44%	0.441	37%	0.374	S	S	.	.	H	α-helix	trans	-68.2	-47.3	170.2	48.5	0	0	0	0	111.6	H594 Y598 R599 L600	H594-S596 PolarHBondContact O-N 3.17Å; S596-Y598 VanDerWaalsContact C-N 3.32Å; S596-Y598 PolarHBondContact O-N 3.17Å; S596-R599 PolarHBondContact O-N 3.1Å; S596-L600 VanDerWaalsContact O-CB 3.27Å; S596-L600 WeakPolarHBondContact O-CB 3.31Å; S596-L600 PolarHBondContact O-N 3.35Å
597	S	85.6	Confident	83	Confident	45 Å²	45	68.5 Å²	68.5	32%	0.315	36%	0.36	S	S	.	.	H	α-helix	trans	-61.8	-39.5	174.1	-55.1	0	0	0	0	111.8	H594 L600 H601	H594-S597 WeakPolarHBondContact O-CB 3.19Å; H594-S597 PolarHBondContact O-N 3.17Å; S597-L600 WeakPolarHBondContact O-CB 3.43Å; S597-L600 PolarHBondContact O-N 2.88Å; S597-H601 WeakPolarHBondContact O-CB 3.28Å; S597-H601 PolarHBondContact O-N 2.84Å
598	Y	87.8	Confident	82.4	Confident	47 Å²	47	66 Å²	66	18%	0.184	35%	0.348	C	S	.	.	H	α-helix	trans	-63.7	-52.2	176.3	179.2	-136.5	0	0	0	112.6	H583 L584 C585 F592 H594 S596 L600 H601 L602	H583-Y598 HydrophobicContact CB-CD1 3.8Å; H583-Y598 HydrophobicContact CB-CD2 4.46Å; H583-Y598 HydrophobicContact CB-CG 3.72Å; L584-Y598 PolarHBondContact O-OH 2.85Å; C585-Y598 HydrophobicContact CB-CD2 4.46Å; C585-Y598 HydrophobicContact CB-CE2 3.82Å; F592-Y598 AromaticContact CD2-CD2 3.92Å; F592-Y598 HydrophobicContact CD2-CD2 3.92Å; H594-Y598 PolarHBondContact O-N 2.89Å; S596-Y598 VanDerWaalsContact C-N 3.32Å; S596-Y598 PolarHBondContact O-N 3.17Å; Y598-L600 VanDerWaalsContact C-N 3.26Å; Y598-L600 PolarHBondContact O-N 3.43Å; Y598-H601 WeakPolarHBondContact O-CB 3.39Å; Y598-H601 PolarHBondContact O-N 3.15Å; Y598-L602 HydrophobicContact CD1-CD1 4.47Å; Y598-L602 HydrophobicContact CD2-CG 4.16Å; Y598-L602 HydrophobicContact CE1-CD1 3.96Å; Y598-L602 HydrophobicContact CE2-CD1 3.96Å; Y598-L602 HydrophobicContact CE2-CD2 3.67Å; Y598-L602 HydrophobicContact CE2-CG 3.66Å; Y598-L602 PolarHBondContact O-N 3.43Å
599	R	84.5	Confident	81.6	Confident	156 Å²	156	67.4 Å²	67.4	59%	0.589	35%	0.347	S	S	*	.	H	α-helix	trans	-62.2	-33.4	177.1	-71.4	178.2	-62.8	122.1	-5.4	112.8	S595 S596	S595-R599 WeakPolarHBondContact O-CG 3.45Å; S595-R599 PolarHBondContact O-N 3.34Å; S595-R599 VanDerWaalsContact O-N 3.09Å; S595-R599 PolarHBondContact O-NE 2.92Å; S595-R599 VanDerWaalsContact O-NE 3.16Å; S596-R599 PolarHBondContact O-N 3.1Å
600	L	83.8	Confident	81.1	Confident	44 Å²	44	73 Å²	73	23%	0.23	35%	0.352	C	S	.	.	H	α-helix	trans	-61.9	-46.1	171.1	167.6	63.1	0	0	0	111.2	S596 S597 Y598 R603 I621 R622	S596-L600 VanDerWaalsContact O-CB 3.27Å; S596-L600 WeakPolarHBondContact O-CB 3.31Å; S596-L600 PolarHBondContact O-N 3.35Å; S597-L600 WeakPolarHBondContact O-CB 3.43Å; S597-L600 PolarHBondContact O-N 2.88Å; Y598-L600 VanDerWaalsContact C-N 3.26Å; Y598-L600 PolarHBondContact O-N 3.43Å; L600-R603 PolarHBondContact O-N 3Å; L600-I621 HydrophobicContact CD1-CG2 3.84Å; L600-R622 HydrophobicContact CD1-CG 3.5Å
601	H	85.4	Confident	80.7	Confident	32 Å²	32	71.3 Å²	71.3	15%	0.148	34%	0.342	C	S	.	.	H	α-helix	trans	-67	-38.3	179.4	170	72	0	0	0	113.1	C585 C588 F592 S597 Y598 R603 V604 H605	C585-H601 VanDerWaalsContact SG-CD2 3.57Å; C585-H601 PolarHBondContact SG-NE2 2.85Å; C585-H601 VanDerWaalsContact SG-NE2 3.35Å; C588-H601 PolarHBondContact SG-NE2 3.39Å; F592-H601 HydrophobicContact CE1-CB 3.94Å; F592-H601 HydrophobicContact CE2-CB 3.86Å; F592-H601 AromaticContact CE2-CD2 3.2Å; F592-H601 WeakPolarHBondContact CE2-CD2 3.45Å; F592-H601 AromaticContact CE2-CG 3.46Å; F592-H601 VanDerWaalsContact CE2-CG 3.46Å; F592-H601 AromaticContact CE2-NE2 3.74Å; F592-H601 HydrophobicContact CZ-CB 3.53Å; F592-H601 AromaticContact CZ-CD2 3.49Å; F592-H601 VanDerWaalsContact CZ-CD2 3.49Å; F592-H601 WeakPolarHBondContact CZ-CD2 3.37Å; F592-H601 AromaticContact CZ-CE1 3.98Å; F592-H601 AromaticContact CZ-CG 3.22Å; F592-H601 AromaticContact CZ-ND1 3.58Å; F592-H601 AromaticContact CZ-NE2 3.94Å; S597-H601 WeakPolarHBondContact O-CB 3.28Å; S597-H601 PolarHBondContact O-N 2.84Å; Y598-H601 WeakPolarHBondContact O-CB 3.39Å; Y598-H601 PolarHBondContact O-N 3.15Å; H601-R603 PolarHBondContact O-N 3.09Å; H601-R603 VanDerWaalsContact O-N 3.15Å; H601-V604 VanDerWaalsContact O-CB 3.23Å; H601-V604 WeakPolarHBondContact O-CB 3.44Å; H601-V604 WeakPolarHBondContact O-CG2 3.39Å; H601-V604 PolarHBondContact O-N 2.9Å; H601-H605 AromaticContact CD2-NE2 3.86Å; H601-H605 AromaticContact CE1-NE2 3.3Å; H601-H605 PolarHBondContact CE1-NE2 3.2Å; H601-H605 VanDerWaalsContact CE1-NE2 3.3Å; H601-H605 AromaticContact NE2-CD2 3.67Å; H601-H605 AromaticContact NE2-NE2 2.95Å; H601-H605 PolarHBondContact NE2-NE2 3.44Å
602	L	84.3	Confident	80.5	Confident	42 Å²	42	75.5 Å²	75.5	22%	0.22	36%	0.357	C	S	.	.	H	α-helix	trans	-57.5	-29	175.8	-72.8	178.5	0	0	0	113.4	I587 Y598 V604 H605 H606	I587-L602 HydrophobicContact CD1-CD2 4.49Å; Y598-L602 HydrophobicContact CD1-CD1 4.47Å; Y598-L602 HydrophobicContact CD2-CG 4.16Å; Y598-L602 HydrophobicContact CE1-CD1 3.96Å; Y598-L602 HydrophobicContact CE2-CD1 3.96Å; Y598-L602 HydrophobicContact CE2-CD2 3.67Å; Y598-L602 HydrophobicContact CE2-CG 3.66Å; Y598-L602 PolarHBondContact O-N 3.43Å; L602-V604 PolarHBondContact O-N 2.85Å; L602-H605 PolarHBondContact O-N 2.86Å; L602-H606 PolarHBondContact O-CD2 2.86Å; L602-H606 PolarHBondContact O-N 3.45Å
603	R	82.9	Confident	80.5	Confident	68 Å²	68	73.5 Å²	73.5	26%	0.257	35%	0.348	S	S	.	.	H	α-helix	trans	-70.4	-14.4	174.8	-68.6	-172	-62.8	-174.3	7	114.2	L600 H601 D607 D608 I621	L600-R603 PolarHBondContact O-N 3Å; H601-R603 PolarHBondContact O-N 3.09Å; H601-R603 VanDerWaalsContact O-N 3.15Å; R603-D607 PolarHBondContact O-N 3Å; R603-D608 HydrophobicContact CB-CB 3.98Å; R603-D608 WeakPolarHBondContact CD-OD2 3.26Å; R603-D608 HydrophobicContact CG-CB 3.96Å; R603-D608 PolarHBondContact O-N 3.27Å; R603-I621 HydrophobicContact CB-CG2 3.62Å; R603-I621 PolarHBondContact NH2-O 3.32Å
604	V	81.1	Confident	80.2	Confident	72 Å²	72	77.6 Å²	77.6	44%	0.436	37%	0.374	S	S	.	.	H	α-helix	trans	-69.5	-45.4	169.7	-174.4	0	0	0	0	109.7	H601 L602 H606 D607 I621	H601-V604 VanDerWaalsContact O-CB 3.23Å; H601-V604 WeakPolarHBondContact O-CB 3.44Å; H601-V604 WeakPolarHBondContact O-CG2 3.39Å; H601-V604 PolarHBondContact O-N 2.9Å; L602-V604 PolarHBondContact O-N 2.85Å; V604-H606 VanDerWaalsContact C-N 3.31Å; V604-H606 PolarHBondContact O-N 2.9Å; V604-D607 PolarHBondContact O-N 2.83Å; V604-I621 HydrophobicContact CB-CD1 4.3Å; V604-I621 HydrophobicContact CG2-CD1 3.7Å
605	H	80.1	Confident	79.8	Confident	64 Å²	64	81.1 Å²	81.1	30%	0.296	39%	0.39	S	S	.	.	H	α-helix	trans	-72.9	-19.7	-177.9	-62.5	-59.2	0	0	0	114.7	I587 C588 H601 L602	I587-H605 HydrophobicContact CD1-CB 3.59Å; I587-H605 HydrophobicContact CG2-CB 4.17Å; C588-H605 VanDerWaalsContact SG-CE1 3.52Å; C588-H605 PolarHBondContact SG-NE2 3.28Å; H601-H605 AromaticContact CD2-NE2 3.86Å; H601-H605 AromaticContact CE1-NE2 3.3Å; H601-H605 PolarHBondContact CE1-NE2 3.2Å; H601-H605 VanDerWaalsContact CE1-NE2 3.3Å; H601-H605 AromaticContact NE2-CD2 3.67Å; H601-H605 AromaticContact NE2-NE2 2.95Å; H601-H605 PolarHBondContact NE2-NE2 3.44Å; L602-H605 PolarHBondContact O-N 2.86Å
606	H	74.8	Confident	79.5	Confident	141 Å²	141	80.7 Å²	80.7	65%	0.653	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	6.2	176.1	-67.1	-58.3	0	0	0	113.3	L602 V604 D608	L602-H606 PolarHBondContact O-CD2 2.86Å; L602-H606 PolarHBondContact O-N 3.45Å; V604-H606 VanDerWaalsContact C-N 3.31Å; V604-H606 PolarHBondContact O-N 2.9Å; H606-D608 PolarHBondContact O-N 2.87Å
607	D	67.7	Low	79.3	Confident	102 Å²	102	80.2 Å²	80.2	55%	0.545	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.3	33.4	-175	-89.9	-52.6	0	0	0	114.6	R603 V604 K609	R603-D607 PolarHBondContact O-N 3Å; V604-D607 PolarHBondContact O-N 2.83Å; D607-K609 PolarHBondContact O-N 3.22Å; D607-K609 WeakPolarHBondContact OD1-CE 3.5Å; D607-K609 IonicContact OD1-NZ 2.75Å; D607-K609 PolarHBondContact OD1-NZ 2.99Å
608	D	71.4	Confident	78.9	Confident	43 Å²	43	83.5 Å²	83.5	23%	0.23	40%	0.401	C	S	.	.			trans	-78	59	-176.4	-173.6	43.1	0	0	0	111.4	R603 H606 R610	R603-D608 HydrophobicContact CB-CB 3.98Å; R603-D608 WeakPolarHBondContact CD-OD2 3.26Å; R603-D608 HydrophobicContact CG-CB 3.96Å; R603-D608 PolarHBondContact O-N 3.27Å; H606-D608 PolarHBondContact O-N 2.87Å; D608-R610 VanDerWaalsContact C-N 3.31Å; D608-R610 VanDerWaalsContact CG-NE 3.25Å; D608-R610 PolarHBondContact O-N 2.82Å; D608-R610 VanDerWaalsContact O-N 3.09Å; D608-R610 WeakPolarHBondContact OD1-CG 3.29Å; D608-R610 IonicContact OD1-CZ 2.6Å; D608-R610 IonicContact OD1-NE 3.23Å; D608-R610 PolarHBondContact OD1-NE 2.91Å; D608-R610 IonicContact OD1-NH2 2.98Å; D608-R610 PolarHBondContact OD1-NH2 3.2Å; D608-R610 IonicContact OD2-CZ 3.05Å; D608-R610 IonicContact OD2-NE 2.61Å; D608-R610 PolarHBondContact OD2-NE 2.86Å; D608-R610 IonicContact OD2-NH2 2.69Å; D608-R610 PolarHBondContact OD2-NH2 2.8Å
609	K	67.3	Low	78.5	Confident	85 Å²	85	84.4 Å²	84.4	37%	0.37	41%	0.411	S	S	.	.			trans	-83.9	64.4	-176.1	-59.1	174.6	-174.8	139.5	0	111.5	D607 Y611 T619 F620 I621	D607-K609 PolarHBondContact O-N 3.22Å; D607-K609 WeakPolarHBondContact OD1-CE 3.5Å; D607-K609 IonicContact OD1-NZ 2.75Å; D607-K609 PolarHBondContact OD1-NZ 2.99Å; K609-Y611 PolarHBondContact O-N 2.66Å; K609-Y611 VanDerWaalsContact O-N 3.1Å; K609-T619 VanDerWaalsContact CD-OG1 3.27Å; K609-T619 WeakPolarHBondContact CD-OG1 3.4Å; K609-F620 CarbonylContact C-O 3.26Å; K609-I621 HydrophobicContact CG-CG1 3.89Å
610	R	71.8	Confident	78.4	Confident	170 Å²	170	79.2 Å²	79.2	64%	0.642	39%	0.393	S	S	*	.			trans	-65.2	-8.8	-172	-60.2	-176.9	-176.4	-102	-22.7	117.1	D608	D608-R610 VanDerWaalsContact C-N 3.31Å; D608-R610 VanDerWaalsContact CG-NE 3.25Å; D608-R610 PolarHBondContact O-N 2.82Å; D608-R610 VanDerWaalsContact O-N 3.09Å; D608-R610 WeakPolarHBondContact OD1-CG 3.29Å; D608-R610 IonicContact OD1-CZ 2.6Å; D608-R610 IonicContact OD1-NE 3.23Å; D608-R610 PolarHBondContact OD1-NE 2.91Å; D608-R610 IonicContact OD1-NH2 2.98Å; D608-R610 PolarHBondContact OD1-NH2 3.2Å; D608-R610 IonicContact OD2-CZ 3.05Å; D608-R610 IonicContact OD2-NE 2.61Å; D608-R610 PolarHBondContact OD2-NE 2.86Å; D608-R610 IonicContact OD2-NH2 2.69Å; D608-R610 PolarHBondContact OD2-NH2 2.8Å
611	Y	77.3	Confident	78.2	Confident	77 Å²	77	78.8 Å²	78.8	30%	0.302	39%	0.391	S	S	.	.	B	Isolated β-bridge	trans	-115.9	84.1	-173.2	-60.2	-76.9	0	0	0	109.3	K609 F620 H623	K609-Y611 PolarHBondContact O-N 2.66Å; K609-Y611 VanDerWaalsContact O-N 3.1Å; Y611-F620 WeakPolarHBondContact CB-O 3.33Å; Y611-F620 PolarHBondContact N-O 2.88Å; Y611-F620 VanDerWaalsContact N-O 3.09Å; Y611-F620 WeakPolarHBondContact O-CB 3.21Å; Y611-F620 WeakPolarHBondContact O-CD2 3.31Å; Y611-F620 PolarHBondContact O-N 3.12Å; Y611-H623 HydrophobicContact CD1-CB 4.02Å; Y611-H623 HydrophobicContact CE1-CB 3.84Å; Y611-H623 AromaticContact CE1-CD2 3.94Å; Y611-H623 HydrophobicContact CG-CB 4.45Å
612	E	82.8	Confident	78	Confident	125 Å²	125	81.6 Å²	81.6	58%	0.584	40%	0.4	S	S	*	.			trans	-75.9	162.8	172.9	69	-160.4	135	0	0	112.2	K618 T619 L626	E612-K618 CarbonylContact C-O 3.36Å; E612-T619 HydrophobicContact CB-CG2 3.86Å; E612-L626 WeakPolarHBondContact O-CD1 3.23Å; E612-L626 WeakPolarHBondContact O-CD2 3.34Å
613	C	84.9	Confident	77.8	Confident	1 Å²	1	84.7 Å²	84.7	1%	0.007	41%	0.413	C	S	.	.			trans	-117.3	108	178.7	-175.1	0	0	0	0	109.1	Q615 C616 G617 K618 F620 L626 H629 H633	C613-Q615 PolarHBondContact O-N 3.33Å; C613-Q615 VanDerWaalsContact O-N 3.08Å; C613-C616 PolarHBondContact O-N 2.8Å; C613-G617 PolarHBondContact O-N 3.19Å; C613-K618 WeakPolarHBondContact CB-O 3.39Å; C613-K618 PolarHBondContact N-O 3.44Å; C613-F620 HydrophobicContact CB-CE2 4.29Å; C613-L626 HydrophobicContact CB-CD1 3.49Å; C613-L626 VanDerWaalsContact CB-CD1 3.49Å; C613-H629 PolarHBondContact SG-CD2 3.25Å; C613-H633 PolarHBondContact SG-CD2 3Å; C613-H633 PolarHBondContact SG-NE2 2.91Å; C613-H633 VanDerWaalsContact SG-NE2 3.4Å
614	D	79.5	Confident	77.7	Confident	133 Å²	133	83.7 Å²	83.7	71%	0.711	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-37.3	-169.1	-33.8	-78.1	0	0	0	112	C616	D614-C616 PolarHBondContact O-N 2.96Å
615	Q	75.4	Confident	77.6	Confident	136 Å²	136	84.2 Å²	84.2	64%	0.636	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-5.7	-177.2	-63	179.1	-5.3	0	0	114.8	C613 H633	C613-Q615 PolarHBondContact O-N 3.33Å; C613-Q615 VanDerWaalsContact O-N 3.08Å; Q615-H633 HydrophobicContact CB-CB 4.42Å
616	C	77.8	Confident	77.7	Confident	48 Å²	48	81.7 Å²	81.7	32%	0.324	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.4	12.3	175	74.2	0	0	0	0	117.4	C613 D614 K618 H629 H633	C613-C616 PolarHBondContact O-N 2.8Å; D614-C616 PolarHBondContact O-N 2.96Å; C616-K618 PolarHBondContact O-N 2.98Å; C616-K618 VanDerWaalsContact O-N 3.11Å; C616-K618 VanDerWaalsContact SG-CD 3.57Å; C616-H629 PolarHBondContact SG-NE2 3.17Å; C616-H633 PolarHBondContact SG-CE1 3.28Å; C616-H633 PolarHBondContact SG-NE2 3.37Å
617	G	78.4	Confident	77.9	Confident	54 Å²	54	77.3 Å²	77.3	56%	0.557	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	6.9	178	0	0	0	0	0	116.5	C613 T619	C613-G617 PolarHBondContact O-N 3.19Å; G617-T619 PolarHBondContact O-N 3.47Å
618	K	78.9	Confident	78.4	Confident	114 Å²	114	78 Å²	78	50%	0.496	38%	0.38	S	S	.	.			trans	-77.3	123.9	-177.2	-71.9	172.4	-167.7	141.5	0	110.9	E612 C613 C616 F620	E612-K618 CarbonylContact C-O 3.36Å; C613-K618 WeakPolarHBondContact CB-O 3.39Å; C613-K618 PolarHBondContact N-O 3.44Å; C616-K618 PolarHBondContact O-N 2.98Å; C616-K618 VanDerWaalsContact O-N 3.11Å; C616-K618 VanDerWaalsContact SG-CD 3.57Å; K618-F620 HydrophobicContact CB-CE2 3.79Å; K618-F620 HydrophobicContact CB-CZ 4.08Å; K618-F620 VanDerWaalsContact O-CD2 3.26Å; K618-F620 WeakPolarHBondContact O-CD2 3.44Å; K618-F620 WeakPolarHBondContact O-CE2 3.47Å
619	T	79.3	Confident	78.7	Confident	66 Å²	66	76.8 Å²	76.8	41%	0.405	37%	0.373	S	S	.	.			trans	-101.2	132	-172.8	57.3	0	0	0	0	112.7	K609 E612 G617	K609-T619 VanDerWaalsContact CD-OG1 3.27Å; K609-T619 WeakPolarHBondContact CD-OG1 3.4Å; E612-T619 HydrophobicContact CB-CG2 3.86Å; G617-T619 PolarHBondContact O-N 3.47Å
620	F	80.9	Confident	79.1	Confident	47 Å²	47	75.6 Å²	75.6	21%	0.206	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-122	148.9	-173.7	-61.2	-91	0	0	0	111.8	K609 Y611 C613 K618 R622 H625 L626 H629	K609-F620 CarbonylContact C-O 3.26Å; Y611-F620 WeakPolarHBondContact CB-O 3.33Å; Y611-F620 PolarHBondContact N-O 2.88Å; Y611-F620 VanDerWaalsContact N-O 3.09Å; Y611-F620 WeakPolarHBondContact O-CB 3.21Å; Y611-F620 WeakPolarHBondContact O-CD2 3.31Å; Y611-F620 PolarHBondContact O-N 3.12Å; C613-F620 HydrophobicContact CB-CE2 4.29Å; K618-F620 HydrophobicContact CB-CE2 3.79Å; K618-F620 HydrophobicContact CB-CZ 4.08Å; K618-F620 VanDerWaalsContact O-CD2 3.26Å; K618-F620 WeakPolarHBondContact O-CD2 3.44Å; K618-F620 WeakPolarHBondContact O-CE2 3.47Å; F620-R622 VanDerWaalsContact C-N 3.3Å; F620-H625 HydrophobicContact CB-CB 4.46Å; F620-H625 HydrophobicContact CD1-CB 3.89Å; F620-H625 HydrophobicContact CG-CB 4.44Å; F620-L626 HydrophobicContact CB-CB 4.48Å; F620-L626 HydrophobicContact CD2-CB 4.24Å; F620-L626 HydrophobicContact CD2-CD1 4.16Å; F620-L626 HydrophobicContact CE2-CD1 4.44Å; F620-H629 HydrophobicContact CE1-CB 4.29Å; F620-H629 HydrophobicContact CE2-CB 4.07Å; F620-H629 AromaticContact CE2-CD2 3.21Å; F620-H629 WeakPolarHBondContact CE2-CD2 3.43Å; F620-H629 AromaticContact CE2-CG 3.76Å; F620-H629 AromaticContact CE2-NE2 3.96Å; F620-H629 HydrophobicContact CZ-CB 3.7Å; F620-H629 AromaticContact CZ-CD2 3.3Å; F620-H629 WeakPolarHBondContact CZ-CD2 3.31Å; F620-H629 AromaticContact CZ-CG 3.4Å; F620-H629 VanDerWaalsContact CZ-CG 3.4Å; F620-H629 AromaticContact CZ-NE2 3.93Å
621	I	81.1	Confident	79.3	Confident	35 Å²	35	72.3 Å²	72.3	18%	0.179	36%	0.359	C	S	.	.	S	Bend	trans	-84.9	-7.6	178.4	-53.2	175.2	0	0	0	111.2	L600 R603 V604 K609	L600-I621 HydrophobicContact CD1-CG2 3.84Å; R603-I621 HydrophobicContact CB-CG2 3.62Å; R603-I621 PolarHBondContact NH2-O 3.32Å; V604-I621 HydrophobicContact CB-CD1 4.3Å; V604-I621 HydrophobicContact CG2-CD1 3.7Å; K609-I621 HydrophobicContact CG-CG1 3.89Å
622	R	80	Confident	78.9	Confident	90 Å²	90	72.7 Å²	72.7	34%	0.34	37%	0.366	S	S	.	.			trans	-143.3	133.6	-177.1	-70.5	173.1	55.6	149.2	-4.9	112.2	L600 F620 D624 H625 L626	L600-R622 HydrophobicContact CD1-CG 3.5Å; F620-R622 VanDerWaalsContact C-N 3.3Å; R622-D624 VanDerWaalsContact C-N 3.34Å; R622-D624 IonicContact CZ-OD1 3.18Å; R622-D624 IonicContact NE-OD1 3.14Å; R622-D624 PolarHBondContact NE-OD1 2.83Å; R622-D624 VanDerWaalsContact NH2-CG 3.26Å; R622-D624 IonicContact NH2-OD1 2.84Å; R622-D624 PolarHBondContact NH2-OD1 3.31Å; R622-D624 IonicContact NH2-OD2 2.77Å; R622-D624 PolarHBondContact NH2-OD2 3.48Å; R622-D624 PolarHBondContact O-N 3.36Å; R622-H625 HydrophobicContact CB-CB 4.36Å; R622-H625 WeakPolarHBondContact O-CB 3.38Å; R622-H625 PolarHBondContact O-N 2.89Å; R622-L626 PolarHBondContact O-N 2.79Å; R622-L626 VanDerWaalsContact O-N 3.15Å
623	H	80.3	Confident	78.3	Confident	108 Å²	108	69.7 Å²	69.7	50%	0.5	35%	0.352	S	S	.	.	H	α-helix	trans	-54	-44.2	172.6	-169.7	-67.2	0	0	0	113	Y611 H625 L626 T627	Y611-H623 HydrophobicContact CD1-CB 4.02Å; Y611-H623 HydrophobicContact CE1-CB 3.84Å; Y611-H623 AromaticContact CE1-CD2 3.94Å; Y611-H623 HydrophobicContact CG-CB 4.45Å; H623-H625 PolarHBondContact O-N 3.45Å; H623-H625 VanDerWaalsContact O-N 3.14Å; H623-L626 CarbonylContact O-C 3.57Å; H623-L626 WeakPolarHBondContact O-CA 3.22Å; H623-L626 WeakPolarHBondContact O-CB 3.32Å; H623-L626 PolarHBondContact O-N 2.97Å; H623-T627 PolarHBondContact CE1-OG1 2.88Å; H623-T627 VanDerWaalsContact CE1-OG1 3.27Å; H623-T627 PolarHBondContact ND1-OG1 3.24Å; H623-T627 PolarHBondContact O-N 3.21Å; H623-T627 PolarHBondContact O-OG1 2.77Å
624	D	80.4	Confident	77.4	Confident	47 Å²	47	73.5 Å²	73.5	25%	0.251	38%	0.378	S	S	.	.	H	α-helix	trans	-70.6	-10.5	-179.5	81	-72.4	0	0	0	113.9	R622 K628	R622-D624 VanDerWaalsContact C-N 3.34Å; R622-D624 IonicContact CZ-OD1 3.18Å; R622-D624 IonicContact NE-OD1 3.14Å; R622-D624 PolarHBondContact NE-OD1 2.83Å; R622-D624 VanDerWaalsContact NH2-CG 3.26Å; R622-D624 IonicContact NH2-OD1 2.84Å; R622-D624 PolarHBondContact NH2-OD1 3.31Å; R622-D624 IonicContact NH2-OD2 2.77Å; R622-D624 PolarHBondContact NH2-OD2 3.48Å; R622-D624 PolarHBondContact O-N 3.36Å; D624-K628 WeakPolarHBondContact O-CD 3.15Å; D624-K628 WeakPolarHBondContact O-CE 3.15Å; D624-K628 WeakPolarHBondContact O-CG 3.27Å; D624-K628 IonicContact OD2-NZ 2.67Å; D624-K628 PolarHBondContact OD2-NZ 3.18Å
625	H	80.3	Confident	76.5	Confident	82 Å²	82	69.7 Å²	69.7	38%	0.38	37%	0.37	S	S	.	.	H	α-helix	trans	-87.5	-37.9	168.2	-63.5	-12.1	0	0	0	110.7	F620 R622 H623 K628 H629	F620-H625 HydrophobicContact CB-CB 4.46Å; F620-H625 HydrophobicContact CD1-CB 3.89Å; F620-H625 HydrophobicContact CG-CB 4.44Å; R622-H625 HydrophobicContact CB-CB 4.36Å; R622-H625 WeakPolarHBondContact O-CB 3.38Å; R622-H625 PolarHBondContact O-N 2.89Å; H623-H625 PolarHBondContact O-N 3.45Å; H623-H625 VanDerWaalsContact O-N 3.14Å; H625-K628 PolarHBondContact O-N 2.82Å; H625-H629 VanDerWaalsContact O-CB 3.29Å; H625-H629 WeakPolarHBondContact O-CB 3.48Å; H625-H629 PolarHBondContact O-N 2.85Å; H625-H629 VanDerWaalsContact O-N 3.09Å
626	L	81.8	Confident	75.5	Confident	12 Å²	12	67.3 Å²	67.3	6%	0.063	36%	0.359	C	S	.	.	H	α-helix	trans	-58.9	-50.6	168.7	173.8	61.5	0	0	0	111.7	E612 C613 F620 R622 H623 K628 H629 Q630	E612-L626 WeakPolarHBondContact O-CD1 3.23Å; E612-L626 WeakPolarHBondContact O-CD2 3.34Å; C613-L626 HydrophobicContact CB-CD1 3.49Å; C613-L626 VanDerWaalsContact CB-CD1 3.49Å; F620-L626 HydrophobicContact CB-CB 4.48Å; F620-L626 HydrophobicContact CD2-CB 4.24Å; F620-L626 HydrophobicContact CD2-CD1 4.16Å; F620-L626 HydrophobicContact CE2-CD1 4.44Å; R622-L626 PolarHBondContact O-N 2.79Å; R622-L626 VanDerWaalsContact O-N 3.15Å; H623-L626 CarbonylContact O-C 3.57Å; H623-L626 WeakPolarHBondContact O-CA 3.22Å; H623-L626 WeakPolarHBondContact O-CB 3.32Å; H623-L626 PolarHBondContact O-N 2.97Å; L626-K628 VanDerWaalsContact C-N 3.33Å; L626-K628 PolarHBondContact O-N 3.01Å; L626-H629 CarbonylContact O-C 3.42Å; L626-H629 WeakPolarHBondContact O-CA 3.15Å; L626-H629 VanDerWaalsContact O-CB 3.31Å; L626-H629 WeakPolarHBondContact O-CB 3.47Å; L626-H629 PolarHBondContact O-N 3.22Å; L626-Q630 HydrophobicContact CD1-CG 3.89Å; L626-Q630 HydrophobicContact CG-CG 4.26Å; L626-Q630 PolarHBondContact O-N 3.01Å
627	T	79.6	Confident	74.5	Confident	49 Å²	49	71.3 Å²	71.3	30%	0.301	37%	0.371	S	S	.	.	H	α-helix	trans	-60.7	-40.6	179.6	-44.2	0	0	0	0	112.2	H623 H629 K631	H623-T627 PolarHBondContact CE1-OG1 2.88Å; H623-T627 VanDerWaalsContact CE1-OG1 3.27Å; H623-T627 PolarHBondContact ND1-OG1 3.24Å; H623-T627 PolarHBondContact O-N 3.21Å; H623-T627 PolarHBondContact O-OG1 2.77Å; T627-H629 PolarHBondContact O-N 2.87Å; T627-K631 PolarHBondContact O-N 3.13Å
628	K	76.9	Confident	73.6	Confident	115 Å²	115	71.7 Å²	71.7	50%	0.5	37%	0.369	S	S	.	.	H	α-helix	trans	-69.3	-12.2	174.1	-70.3	169.3	-163.8	154.4	0	113.2	D624 H625 L626 R649	D624-K628 WeakPolarHBondContact O-CD 3.15Å; D624-K628 WeakPolarHBondContact O-CE 3.15Å; D624-K628 WeakPolarHBondContact O-CG 3.27Å; D624-K628 IonicContact OD2-NZ 2.67Å; D624-K628 PolarHBondContact OD2-NZ 3.18Å; H625-K628 PolarHBondContact O-N 2.82Å; L626-K628 VanDerWaalsContact C-N 3.33Å; L626-K628 PolarHBondContact O-N 3.01Å; K628-R649 PolarHBondContact O-NH2 2.67Å
629	H	77.8	Confident	72.8	Confident	18 Å²	18	69 Å²	69	8%	0.083	36%	0.358	C	S	.	.	H	α-helix	trans	-99.5	-38.3	177.1	177.7	53.5	0	0	0	112.6	C613 C616 F620 H625 L626 T627 K631 I632 H633	C613-H629 PolarHBondContact SG-CD2 3.25Å; C616-H629 PolarHBondContact SG-NE2 3.17Å; F620-H629 HydrophobicContact CE1-CB 4.29Å; F620-H629 HydrophobicContact CE2-CB 4.07Å; F620-H629 AromaticContact CE2-CD2 3.21Å; F620-H629 WeakPolarHBondContact CE2-CD2 3.43Å; F620-H629 AromaticContact CE2-CG 3.76Å; F620-H629 AromaticContact CE2-NE2 3.96Å; F620-H629 HydrophobicContact CZ-CB 3.7Å; F620-H629 AromaticContact CZ-CD2 3.3Å; F620-H629 WeakPolarHBondContact CZ-CD2 3.31Å; F620-H629 AromaticContact CZ-CG 3.4Å; F620-H629 VanDerWaalsContact CZ-CG 3.4Å; F620-H629 AromaticContact CZ-NE2 3.93Å; H625-H629 VanDerWaalsContact O-CB 3.29Å; H625-H629 WeakPolarHBondContact O-CB 3.48Å; H625-H629 PolarHBondContact O-N 2.85Å; H625-H629 VanDerWaalsContact O-N 3.09Å; L626-H629 CarbonylContact O-C 3.42Å; L626-H629 WeakPolarHBondContact O-CA 3.15Å; L626-H629 VanDerWaalsContact O-CB 3.31Å; L626-H629 WeakPolarHBondContact O-CB 3.47Å; L626-H629 PolarHBondContact O-N 3.22Å; T627-H629 PolarHBondContact O-N 2.87Å; H629-K631 VanDerWaalsContact C-N 3.27Å; H629-K631 PolarHBondContact O-N 2.93Å; H629-I632 WeakPolarHBondContact O-CA 3.35Å; H629-I632 WeakPolarHBondContact O-CB 3.38Å; H629-I632 WeakPolarHBondContact O-CG1 3.47Å; H629-I632 PolarHBondContact O-N 3.1Å; H629-H633 AromaticContact CD2-NE2 3.67Å; H629-H633 AromaticContact CE1-CE1 3.45Å; H629-H633 PolarHBondContact CE1-CE1 3.19Å; H629-H633 VanDerWaalsContact CE1-CE1 3.45Å; H629-H633 AromaticContact CE1-NE2 3.22Å; H629-H633 PolarHBondContact CE1-NE2 3.08Å; H629-H633 AromaticContact NE2-CE1 3.61Å; H629-H633 AromaticContact NE2-NE2 2.99Å; H629-H633 PolarHBondContact NE2-NE2 3.16Å
630	Q	76	Confident	72	Confident	61 Å²	61	70.6 Å²	70.6	29%	0.285	36%	0.361	S	S	.	.	H	α-helix	trans	-57.1	-41.6	169.2	-73.8	164.2	-42.8	0	0	110.7	L626 I632 H633 S634	L626-Q630 HydrophobicContact CD1-CG 3.89Å; L626-Q630 HydrophobicContact CG-CG 4.26Å; L626-Q630 PolarHBondContact O-N 3.01Å; Q630-I632 PolarHBondContact O-N 3.48Å; Q630-H633 PolarHBondContact O-N 2.86Å; Q630-S634 WeakPolarHBondContact O-CB 3.36Å; Q630-S634 PolarHBondContact O-N 2.91Å
631	K	75	Confident	71.3	Confident	101 Å²	101	68.4 Å²	68.4	44%	0.439	35%	0.351	S	S	.	.	H	α-helix	trans	-62.7	2.3	168.9	-68.7	-171.5	175.3	-74.8	0	115.5	T627 H629 E636	T627-K631 PolarHBondContact O-N 3.13Å; H629-K631 VanDerWaalsContact C-N 3.27Å; H629-K631 PolarHBondContact O-N 2.93Å; K631-E636 WeakPolarHBondContact CD-OE2 3.27Å; K631-E636 WeakPolarHBondContact CE-OE2 3.34Å; K631-E636 VanDerWaalsContact CG-OE2 3.26Å; K631-E636 WeakPolarHBondContact CG-OE2 3.25Å; K631-E636 IonicContact NZ-OE1 3.84Å; K631-E636 PolarHBondContact NZ-OE1 2.99Å; K631-E636 IonicContact NZ-OE2 2.66Å; K631-E636 PolarHBondContact NZ-OE2 3.41Å
632	I	70.4	Confident	70.7	Confident	84 Å²	84	74.7 Å²	74.7	43%	0.431	38%	0.38	S	S	.	.	H	α-helix	trans	-92.7	-42	166.9	-51.9	178.5	0	0	0	110.4	H629 Q630	H629-I632 WeakPolarHBondContact O-CA 3.35Å; H629-I632 WeakPolarHBondContact O-CB 3.38Å; H629-I632 WeakPolarHBondContact O-CG1 3.47Å; H629-I632 PolarHBondContact O-N 3.1Å; Q630-I632 PolarHBondContact O-N 3.48Å
633	H	69.6	Low	70.1	Confident	63 Å²	63	75.9 Å²	75.9	29%	0.292	39%	0.389	S	S	.	.	H	α-helix	trans	-79.5	-35.7	-177.4	-51.6	-55.1	0	0	0	112.4	C613 Q615 C616 H629 Q630 G635	C613-H633 PolarHBondContact SG-CD2 3Å; C613-H633 PolarHBondContact SG-NE2 2.91Å; C613-H633 VanDerWaalsContact SG-NE2 3.4Å; Q615-H633 HydrophobicContact CB-CB 4.42Å; C616-H633 PolarHBondContact SG-CE1 3.28Å; C616-H633 PolarHBondContact SG-NE2 3.37Å; H629-H633 AromaticContact CD2-NE2 3.67Å; H629-H633 AromaticContact CE1-CE1 3.45Å; H629-H633 PolarHBondContact CE1-CE1 3.19Å; H629-H633 VanDerWaalsContact CE1-CE1 3.45Å; H629-H633 AromaticContact CE1-NE2 3.22Å; H629-H633 PolarHBondContact CE1-NE2 3.08Å; H629-H633 AromaticContact NE2-CE1 3.61Å; H629-H633 AromaticContact NE2-NE2 2.99Å; H629-H633 PolarHBondContact NE2-NE2 3.16Å; Q630-H633 PolarHBondContact O-N 2.86Å; H633-G635 PolarHBondContact O-N 3.48Å
634	S	65	Low	69.4	Low	81 Å²	81	72.8 Å²	72.8	57%	0.566	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	0.2	178.8	-166.4	0	0	0	0	114.6	Q630 E636	Q630-S634 WeakPolarHBondContact O-CB 3.36Å; Q630-S634 PolarHBondContact O-N 2.91Å; S634-E636 PolarHBondContact O-N 3.35Å
635	G	61.3	Low	68.5	Low	52 Å²	52	72.2 Å²	72.2	54%	0.536	38%	0.384	S	S	.	.			trans	62.8	2.2	-178.2	0	0	0	0	0	115.2	H633 K637	H633-G635 PolarHBondContact O-N 3.48Å; G635-K637 VanDerWaalsContact C-N 3.32Å; G635-K637 VanDerWaalsContact O-CG 3.32Å; G635-K637 WeakPolarHBondContact O-CG 3.27Å; G635-K637 PolarHBondContact O-N 3.1Å
636	E	55.4	Low	68	Low	86 Å²	86	73.1 Å²	73.1	40%	0.402	39%	0.387	S	S	.	.			trans	-71.1	82.9	-165.8	-169.5	-152.9	-129.1	0	0	111.4	K631 S634 A638	K631-E636 WeakPolarHBondContact CD-OE2 3.27Å; K631-E636 WeakPolarHBondContact CE-OE2 3.34Å; K631-E636 VanDerWaalsContact CG-OE2 3.26Å; K631-E636 WeakPolarHBondContact CG-OE2 3.25Å; K631-E636 IonicContact NZ-OE1 3.84Å; K631-E636 PolarHBondContact NZ-OE1 2.99Å; K631-E636 IonicContact NZ-OE2 2.66Å; K631-E636 PolarHBondContact NZ-OE2 3.41Å; S634-E636 PolarHBondContact O-N 3.35Å; E636-A638 PolarHBondContact O-N 2.81Å
637	K	57	Low	67.2	Low	132 Å²	132	74.6 Å²	74.6	57%	0.574	40%	0.398	S	S	*	.			trans	-72	52.5	177	-71	155.4	143.1	-154.6	0	111.5	G635 H639 C647	G635-K637 VanDerWaalsContact C-N 3.32Å; G635-K637 VanDerWaalsContact O-CG 3.32Å; G635-K637 WeakPolarHBondContact O-CG 3.27Å; G635-K637 PolarHBondContact O-N 3.1Å; K637-H639 CarbonylContact O-C 3.56Å; K637-H639 PolarHBondContact O-N 2.91Å; K637-C647 HydrophobicContact CB-CB 3.77Å; K637-C647 HydrophobicContact CD-CB 3.95Å; K637-C647 WeakPolarHBondContact CD-SG 2.89Å; K637-C647 WeakPolarHBondContact CE-SG 3.45Å; K637-C647 HydrophobicContact CG-CB 3.59Å; K637-C647 PolarHBondContact NZ-SG 3.09Å; K637-C647 VanDerWaalsContact NZ-SG 3.36Å
638	A	58.8	Low	66.8	Low	62 Å²	62	74.4 Å²	74.4	51%	0.512	39%	0.393	S	S	.	.			trans	-54.4	-4.4	-166.4	0	0	0	0	0	117.5	E636	E636-A638 PolarHBondContact O-N 2.81Å
639	H	62.1	Low	66.2	Low	57 Å²	57	77 Å²	77	26%	0.264	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	85.6	174	-52.3	-60.9	0	0	0	109.5	K637 F648 H651 L654	K637-H639 CarbonylContact O-C 3.56Å; K637-H639 PolarHBondContact O-N 2.91Å; H639-F648 PolarHBondContact O-N 3.05Å; H639-H651 PolarHBondContact CD2-N 2.97Å; H639-H651 AromaticContact ND1-ND1 3.71Å; H639-H651 PolarHBondContact NE2-N 2.98Å; H639-L654 HydrophobicContact CB-CB 3.9Å; H639-L654 HydrophobicContact CB-CD2 3.74Å; H639-L654 HydrophobicContact CB-CG 4.45Å
640	Q	62	Low	65.9	Low	100 Å²	100	82.4 Å²	82.4	47%	0.467	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	149.2	168.8	-177.3	162.3	-61.4	0	0	110	K646 C647 L654	Q640-K646 CarbonylContact C-O 3.46Å; Q640-C647 PolarHBondContact OE1-SG 2.88Å; Q640-C647 VanDerWaalsContact OE1-SG 3.38Å; Q640-L654 VanDerWaalsContact O-CD2 3.27Å; Q640-L654 WeakPolarHBondContact O-CD2 3.31Å
641	C	67.3	Low	65.8	Low	1 Å²	1	84.6 Å²	84.6	1%	0.007	43%	0.429	C	S	.	.			trans	-91.8	116.1	168.4	-165.6	0	0	0	0	108.6	E643 C644 G645 K646 F648 L654	C641-E643 PolarHBondContact O-N 2.76Å; C641-C644 PolarHBondContact O-N 3.28Å; C641-G645 WeakPolarHBondContact O-CA 3.13Å; C641-G645 PolarHBondContact O-N 2.89Å; C641-K646 PolarHBondContact N-O 3Å; C641-F648 HydrophobicContact CB-CE2 4.41Å; C641-L654 HydrophobicContact CB-CD1 3.47Å; C641-L654 VanDerWaalsContact CB-CD1 3.47Å
642	E	68.4	Low	65.9	Low	167 Å²	167	83.2 Å²	83.2	78%	0.78	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-54.3	-54.3	-177.6	-71.3	117.7	-124.1	0	0	112	C644	E642-C644 PolarHBondContact O-N 2.84Å
643	E	66.6	Low	66.2	Low	115 Å²	115	84.2 Å²	84.2	54%	0.537	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-61.2	-11.2	-177.2	-75.4	-177	64.4	0	0	116.6	C641 Y658 H662	C641-E643 PolarHBondContact O-N 2.76Å; E643-Y658 WeakPolarHBondContact OE2-CE2 3.32Å; E643-H662 WeakPolarHBondContact CB-CE1 3.35Å; E643-H662 VanDerWaalsContact CB-ND1 3.26Å; E643-H662 WeakPolarHBondContact CB-ND1 3.08Å; E643-H662 IonicContact OE1-CE1 2.73Å; E643-H662 IonicContact OE1-CG 2.73Å; E643-H662 IonicContact OE1-ND1 2.58Å; E643-H662 PolarHBondContact OE1-ND1 2.64Å; E643-H662 VanDerWaalsContact OE2-CB 3.24Å; E643-H662 WeakPolarHBondContact OE2-CB 3.49Å; E643-H662 IonicContact OE2-CG 3.19Å; E643-H662 IonicContact OE2-ND1 2.69Å
644	C	66.7	Low	66.7	Low	43 Å²	43	82.2 Å²	82.2	29%	0.291	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-151.2	13.1	177.7	71.1	0	0	0	0	117	C641 E642 K646 H657 H662	C641-C644 PolarHBondContact O-N 3.28Å; E642-C644 PolarHBondContact O-N 2.84Å; C644-K646 PolarHBondContact O-N 3.36Å; C644-K646 VanDerWaalsContact SG-CG 3.53Å; C644-K646 PolarHBondContact SG-NZ 2.96Å; C644-H657 PolarHBondContact SG-NE2 2.97Å; C644-H662 PolarHBondContact SG-NE2 3.21Å
645	G	61.5	Low	67.3	Low	35 Å²	35	80.6 Å²	80.6	36%	0.361	41%	0.407	S	S	.	.			trans	62.1	3.5	178.6	0	0	0	0	0	115.8	C641 C647	C641-G645 WeakPolarHBondContact O-CA 3.13Å; C641-G645 PolarHBondContact O-N 2.89Å; G645-C647 PolarHBondContact O-N 3.35Å; G645-C647 PolarHBondContact O-SG 3.13Å
646	K	67.9	Low	68.2	Low	102 Å²	102	82 Å²	82	44%	0.443	41%	0.406	S	S	.	.			trans	-71.8	128.9	-176.5	-67.6	-175.7	-164.6	90.3	0	109.9	Q640 C641 C644 F648	Q640-K646 CarbonylContact C-O 3.46Å; C641-K646 PolarHBondContact N-O 3Å; C644-K646 PolarHBondContact O-N 3.36Å; C644-K646 VanDerWaalsContact SG-CG 3.53Å; C644-K646 PolarHBondContact SG-NZ 2.96Å; K646-F648 HydrophobicContact CB-CE2 3.66Å; K646-F648 HydrophobicContact CB-CZ 3.9Å; K646-F648 WeakPolarHBondContact O-CD2 3.42Å; K646-F648 WeakPolarHBondContact O-CE2 3.05Å
647	C	65.8	Low	69.4	Low	42 Å²	42	78.8 Å²	78.8	28%	0.284	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	130.4	-168.7	-64.2	0	0	0	0	112.1	K637 Q640 G645	K637-C647 HydrophobicContact CB-CB 3.77Å; K637-C647 HydrophobicContact CD-CB 3.95Å; K637-C647 WeakPolarHBondContact CD-SG 2.89Å; K637-C647 WeakPolarHBondContact CE-SG 3.45Å; K637-C647 HydrophobicContact CG-CB 3.59Å; K637-C647 PolarHBondContact NZ-SG 3.09Å; K637-C647 VanDerWaalsContact NZ-SG 3.36Å; Q640-C647 PolarHBondContact OE1-SG 2.88Å; Q640-C647 VanDerWaalsContact OE1-SG 3.38Å; G645-C647 PolarHBondContact O-N 3.35Å; G645-C647 PolarHBondContact O-SG 3.13Å
648	F	72.1	Confident	70.4	Confident	46 Å²	46	76.7 Å²	76.7	20%	0.202	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	135.2	-173.1	-62	-87.5	0	0	0	112.7	H639 C641 K646 R650 H653 L654 H657	H639-F648 PolarHBondContact O-N 3.05Å; C641-F648 HydrophobicContact CB-CE2 4.41Å; K646-F648 HydrophobicContact CB-CE2 3.66Å; K646-F648 HydrophobicContact CB-CZ 3.9Å; K646-F648 WeakPolarHBondContact O-CD2 3.42Å; K646-F648 WeakPolarHBondContact O-CE2 3.05Å; F648-R650 PolarHBondContact O-N 2.88Å; F648-R650 VanDerWaalsContact O-N 3.15Å; F648-H653 HydrophobicContact CB-CB 4.18Å; F648-H653 HydrophobicContact CD1-CB 3.91Å; F648-H653 HydrophobicContact CG-CB 4.36Å; F648-L654 HydrophobicContact CB-CB 4.16Å; F648-L654 HydrophobicContact CD2-CB 4.03Å; F648-L654 HydrophobicContact CD2-CD1 4.02Å; F648-L654 HydrophobicContact CE2-CD1 4.35Å; F648-L654 HydrophobicContact CG-CB 4.27Å; F648-H657 HydrophobicContact CE1-CB 3.94Å; F648-H657 HydrophobicContact CE2-CB 3.97Å; F648-H657 AromaticContact CE2-CD2 3.12Å; F648-H657 WeakPolarHBondContact CE2-CD2 3.46Å; F648-H657 AromaticContact CE2-CG 3.67Å; F648-H657 AromaticContact CE2-NE2 3.88Å; F648-H657 HydrophobicContact CZ-CB 3.55Å; F648-H657 AromaticContact CZ-CD2 3.23Å; F648-H657 WeakPolarHBondContact CZ-CD2 3.47Å; F648-H657 AromaticContact CZ-CG 3.3Å; F648-H657 AromaticContact CZ-NE2 3.89Å
649	R	63	Low	71.3	Confident	170 Å²	170	77.7 Å²	77.7	64%	0.642	37%	0.372	S	S	*	.	S	Bend	trans	-73.8	0.7	179.9	-166.2	173.7	168.8	-145.1	-5.2	114.2	K628	K628-R649 PolarHBondContact O-NH2 2.67Å
650	R	71.8	Confident	71.9	Confident	131 Å²	131	78.4 Å²	78.4	49%	0.494	38%	0.384	S	S	.	.	S	Bend	trans	-153.4	139.2	179.5	-68.8	-178.5	59.8	81.7	7.1	109.7	F648 D652 H653 L654	F648-R650 PolarHBondContact O-N 2.88Å; F648-R650 VanDerWaalsContact O-N 3.15Å; R650-D652 IonicContact CZ-OD1 2.76Å; R650-D652 IonicContact CZ-OD2 3.51Å; R650-D652 IonicContact NE-OD2 2.78Å; R650-D652 PolarHBondContact NE-OD2 2.9Å; R650-D652 VanDerWaalsContact NH2-CG 3.3Å; R650-D652 IonicContact NH2-OD1 3.69Å; R650-D652 PolarHBondContact NH2-OD1 2.94Å; R650-D652 IonicContact NH2-OD2 2.65Å; R650-D652 PolarHBondContact NH2-OD2 3.07Å; R650-D652 PolarHBondContact O-N 3.2Å; R650-H653 HydrophobicContact CB-CB 4.43Å; R650-H653 PolarHBondContact O-N 3.47Å; R650-L654 PolarHBondContact O-N 2.87Å
651	H	73.5	Confident	72.5	Confident	106 Å²	106	77.6 Å²	77.6	49%	0.491	39%	0.386	S	S	.	.	H	α-helix	trans	-54.3	-50.4	175.5	-173.5	84	0	0	0	111.4	H639 H653 L654 T655	H639-H651 PolarHBondContact CD2-N 2.97Å; H639-H651 AromaticContact ND1-ND1 3.71Å; H639-H651 PolarHBondContact NE2-N 2.98Å; H651-H653 PolarHBondContact O-N 3.27Å; H651-L654 CarbonylContact O-C 3.2Å; H651-L654 WeakPolarHBondContact O-CA 3.34Å; H651-L654 WeakPolarHBondContact O-CB 3.24Å; H651-L654 PolarHBondContact O-N 3.14Å; H651-T655 PolarHBondContact CD2-OG1 2.87Å; H651-T655 PolarHBondContact NE2-OG1 3.3Å; H651-T655 PolarHBondContact O-N 3.04Å; H651-T655 PolarHBondContact O-OG1 2.99Å
652	D	76.8	Confident	72.9	Confident	73 Å²	73	79.7 Å²	79.7	39%	0.39	40%	0.395	S	S	.	.	H	α-helix	trans	-60.1	-15.3	178.6	27.4	-81.5	0	0	0	115.3	R650 V656	R650-D652 IonicContact CZ-OD1 2.76Å; R650-D652 IonicContact CZ-OD2 3.51Å; R650-D652 IonicContact NE-OD2 2.78Å; R650-D652 PolarHBondContact NE-OD2 2.9Å; R650-D652 VanDerWaalsContact NH2-CG 3.3Å; R650-D652 IonicContact NH2-OD1 3.69Å; R650-D652 PolarHBondContact NH2-OD1 2.94Å; R650-D652 IonicContact NH2-OD2 2.65Å; R650-D652 PolarHBondContact NH2-OD2 3.07Å; R650-D652 PolarHBondContact O-N 3.2Å; D652-V656 WeakPolarHBondContact O-CB 3.46Å; D652-V656 VanDerWaalsContact O-CG2 3.23Å; D652-V656 WeakPolarHBondContact O-CG2 3.42Å; D652-V656 PolarHBondContact O-N 3.36Å
653	H	77.6	Confident	73	Confident	104 Å²	104	75.9 Å²	75.9	48%	0.481	38%	0.38	S	S	.	.	H	α-helix	trans	-86.6	-33.6	169.7	-64.9	-19.5	0	0	0	112.7	F648 R650 H651 H657	F648-H653 HydrophobicContact CB-CB 4.18Å; F648-H653 HydrophobicContact CD1-CB 3.91Å; F648-H653 HydrophobicContact CG-CB 4.36Å; R650-H653 HydrophobicContact CB-CB 4.43Å; R650-H653 PolarHBondContact O-N 3.47Å; H651-H653 PolarHBondContact O-N 3.27Å; H653-H657 VanDerWaalsContact O-CB 3.23Å; H653-H657 WeakPolarHBondContact O-CB 3.15Å; H653-H657 PolarHBondContact O-N 2.73Å
654	L	80.1	Confident	72.8	Confident	22 Å²	22	73.5 Å²	73.5	12%	0.115	39%	0.386	C	S	.	.	H	α-helix	trans	-62.9	-50.6	165.9	171.2	61.9	0	0	0	110.4	H639 Q640 C641 F648 R650 H651 V656 H657 Y658	H639-L654 HydrophobicContact CB-CB 3.9Å; H639-L654 HydrophobicContact CB-CD2 3.74Å; H639-L654 HydrophobicContact CB-CG 4.45Å; Q640-L654 VanDerWaalsContact O-CD2 3.27Å; Q640-L654 WeakPolarHBondContact O-CD2 3.31Å; C641-L654 HydrophobicContact CB-CD1 3.47Å; C641-L654 VanDerWaalsContact CB-CD1 3.47Å; F648-L654 HydrophobicContact CB-CB 4.16Å; F648-L654 HydrophobicContact CD2-CB 4.03Å; F648-L654 HydrophobicContact CD2-CD1 4.02Å; F648-L654 HydrophobicContact CE2-CD1 4.35Å; F648-L654 HydrophobicContact CG-CB 4.27Å; R650-L654 PolarHBondContact O-N 2.87Å; H651-L654 CarbonylContact O-C 3.2Å; H651-L654 WeakPolarHBondContact O-CA 3.34Å; H651-L654 WeakPolarHBondContact O-CB 3.24Å; H651-L654 PolarHBondContact O-N 3.14Å; L654-V656 VanDerWaalsContact C-N 3.29Å; L654-V656 PolarHBondContact O-N 3Å; L654-H657 CarbonylContact O-C 3.59Å; L654-H657 WeakPolarHBondContact O-CA 3.39Å; L654-H657 WeakPolarHBondContact O-CB 3.47Å; L654-H657 PolarHBondContact O-N 3Å; L654-Y658 WeakPolarHBondContact O-CB 3.34Å; L654-Y658 PolarHBondContact O-N 2.9Å
655	T	78.4	Confident	72.4	Confident	46 Å²	46	76.7 Å²	76.7	28%	0.282	40%	0.397	S	S	.	.	H	α-helix	trans	-58.6	-41	-178	-31.5	0	0	0	0	111.8	H651 K659	H651-T655 PolarHBondContact CD2-OG1 2.87Å; H651-T655 PolarHBondContact NE2-OG1 3.3Å; H651-T655 PolarHBondContact O-N 3.04Å; H651-T655 PolarHBondContact O-OG1 2.99Å; T655-K659 HydrophobicContact CG2-CD 4.4Å; T655-K659 VanDerWaalsContact O-CB 3.25Å; T655-K659 WeakPolarHBondContact O-CB 3.31Å; T655-K659 VanDerWaalsContact O-CG 3.26Å; T655-K659 WeakPolarHBondContact O-CG 3.36Å; T655-K659 PolarHBondContact O-N 3.18Å
656	V	79.4	Confident	71.9	Confident	82 Å²	82	83.2 Å²	83.2	50%	0.497	42%	0.415	S	S	.	.	H	α-helix	trans	-69.3	-38.1	175.1	167.9	0	0	0	0	111.4	D652 L654 S660	D652-V656 WeakPolarHBondContact O-CB 3.46Å; D652-V656 VanDerWaalsContact O-CG2 3.23Å; D652-V656 WeakPolarHBondContact O-CG2 3.42Å; D652-V656 PolarHBondContact O-N 3.36Å; L654-V656 VanDerWaalsContact C-N 3.29Å; L654-V656 PolarHBondContact O-N 3Å; V656-S660 VanDerWaalsContact O-CB 3.25Å; V656-S660 WeakPolarHBondContact O-CB 3.34Å; V656-S660 PolarHBondContact O-N 3.28Å; V656-S660 VanDerWaalsContact O-N 3.15Å; V656-S660 PolarHBondContact O-OG 2.85Å
657	H	80.4	Confident	70.9	Confident	18 Å²	18	80.1 Å²	80.1	8%	0.083	41%	0.405	C	S	.	.	H	α-helix	trans	-66	-54.6	177.8	166.8	50.3	0	0	0	112.4	C644 F648 H653 L654 K659 S660 V661 H662	C644-H657 PolarHBondContact SG-NE2 2.97Å; F648-H657 HydrophobicContact CE1-CB 3.94Å; F648-H657 HydrophobicContact CE2-CB 3.97Å; F648-H657 AromaticContact CE2-CD2 3.12Å; F648-H657 WeakPolarHBondContact CE2-CD2 3.46Å; F648-H657 AromaticContact CE2-CG 3.67Å; F648-H657 AromaticContact CE2-NE2 3.88Å; F648-H657 HydrophobicContact CZ-CB 3.55Å; F648-H657 AromaticContact CZ-CD2 3.23Å; F648-H657 WeakPolarHBondContact CZ-CD2 3.47Å; F648-H657 AromaticContact CZ-CG 3.3Å; F648-H657 AromaticContact CZ-NE2 3.89Å; H653-H657 VanDerWaalsContact O-CB 3.23Å; H653-H657 WeakPolarHBondContact O-CB 3.15Å; H653-H657 PolarHBondContact O-N 2.73Å; L654-H657 CarbonylContact O-C 3.59Å; L654-H657 WeakPolarHBondContact O-CA 3.39Å; L654-H657 WeakPolarHBondContact O-CB 3.47Å; L654-H657 PolarHBondContact O-N 3Å; H657-K659 VanDerWaalsContact C-N 3.31Å; H657-K659 PolarHBondContact O-N 2.62Å; H657-S660 PolarHBondContact O-N 3.43Å; H657-S660 PolarHBondContact O-OG 3.23Å; H657-V661 VanDerWaalsContact ND1-CG2 3.31Å; H657-V661 WeakPolarHBondContact ND1-CG2 3.28Å; H657-V661 WeakPolarHBondContact O-CB 3.15Å; H657-V661 PolarHBondContact O-N 2.78Å; H657-H662 AromaticContact CE1-NE2 3.93Å; H657-H662 AromaticContact NE2-NE2 3.86Å
658	Y	78.8	Confident	70	Confident	88 Å²	88	84.9 Å²	84.9	35%	0.345	42%	0.417	S	S	.	.	H	α-helix	trans	-51.6	-50.9	177	-173.9	-120.2	0	0	0	110.7	E643 L654 S660 H662 L663	E643-Y658 WeakPolarHBondContact OE2-CE2 3.32Å; L654-Y658 WeakPolarHBondContact O-CB 3.34Å; L654-Y658 PolarHBondContact O-N 2.9Å; Y658-S660 VanDerWaalsContact C-N 3.26Å; Y658-S660 PolarHBondContact O-N 3.33Å; Y658-H662 HydrophobicContact CD2-CB 4.15Å; Y658-H662 HydrophobicContact CE2-CB 4.43Å; Y658-H662 WeakPolarHBondContact O-CB 3.27Å; Y658-H662 PolarHBondContact O-N 2.99Å; Y658-L663 HydrophobicContact CD1-CD1 3.71Å; Y658-L663 HydrophobicContact CE1-CD1 3.62Å; Y658-L663 HydrophobicContact CE1-CG 4.42Å; Y658-L663 PolarHBondContact O-N 2.94Å
659	K	76.3	Confident	69	Low	83 Å²	83	90.1 Å²	90.1	36%	0.361	44%	0.442	S	S	.	.	H	α-helix	trans	-72.3	-3.9	178.6	-65.1	-167.6	178.4	-142.7	0	116.2	T655 H657 L663 V667	T655-K659 HydrophobicContact CG2-CD 4.4Å; T655-K659 VanDerWaalsContact O-CB 3.25Å; T655-K659 WeakPolarHBondContact O-CB 3.31Å; T655-K659 VanDerWaalsContact O-CG 3.26Å; T655-K659 WeakPolarHBondContact O-CG 3.36Å; T655-K659 PolarHBondContact O-N 3.18Å; H657-K659 VanDerWaalsContact C-N 3.31Å; H657-K659 PolarHBondContact O-N 2.62Å; K659-L663 HydrophobicContact CG-CD1 3.85Å; K659-V667 HydrophobicContact CB-CB 4.44Å; K659-V667 HydrophobicContact CB-CG2 3.92Å; K659-V667 HydrophobicContact CD-CG2 4.43Å
660	S	75.8	Confident	68.3	Low	72 Å²	72	91.6 Å²	91.6	50%	0.503	45%	0.453	S	S	.	.	H	α-helix	trans	-125	-8	178.7	63.6	0	0	0	0	115.3	V656 H657 Y658	V656-S660 VanDerWaalsContact O-CB 3.25Å; V656-S660 WeakPolarHBondContact O-CB 3.34Å; V656-S660 PolarHBondContact O-N 3.28Å; V656-S660 VanDerWaalsContact O-N 3.15Å; V656-S660 PolarHBondContact O-OG 2.85Å; H657-S660 PolarHBondContact O-N 3.43Å; H657-S660 PolarHBondContact O-OG 3.23Å; Y658-S660 VanDerWaalsContact C-N 3.26Å; Y658-S660 PolarHBondContact O-N 3.33Å
661	V	74.5	Confident	67.1	Low	84 Å²	84	93.6 Å²	93.6	51%	0.509	46%	0.462	S	S	.	.	H	α-helix	trans	-117.8	-31.5	177.5	178.5	0	0	0	0	112	H657	H657-V661 VanDerWaalsContact ND1-CG2 3.31Å; H657-V661 WeakPolarHBondContact ND1-CG2 3.28Å; H657-V661 WeakPolarHBondContact O-CB 3.15Å; H657-V661 PolarHBondContact O-N 2.78Å
662	H	75.3	Confident	65.8	Low	45 Å²	45	96.6 Å²	96.6	21%	0.208	47%	0.473	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-61.8	-171.8	-70	-82.6	0	0	0	112.5	E643 C644 H657 Y658 G664	E643-H662 WeakPolarHBondContact CB-CE1 3.35Å; E643-H662 VanDerWaalsContact CB-ND1 3.26Å; E643-H662 WeakPolarHBondContact CB-ND1 3.08Å; E643-H662 IonicContact OE1-CE1 2.73Å; E643-H662 IonicContact OE1-CG 2.73Å; E643-H662 IonicContact OE1-ND1 2.58Å; E643-H662 PolarHBondContact OE1-ND1 2.64Å; E643-H662 VanDerWaalsContact OE2-CB 3.24Å; E643-H662 WeakPolarHBondContact OE2-CB 3.49Å; E643-H662 IonicContact OE2-CG 3.19Å; E643-H662 IonicContact OE2-ND1 2.69Å; C644-H662 PolarHBondContact SG-NE2 3.21Å; H657-H662 AromaticContact CE1-NE2 3.93Å; H657-H662 AromaticContact NE2-NE2 3.86Å; Y658-H662 HydrophobicContact CD2-CB 4.15Å; Y658-H662 HydrophobicContact CE2-CB 4.43Å; Y658-H662 WeakPolarHBondContact O-CB 3.27Å; Y658-H662 PolarHBondContact O-N 2.99Å; H662-G664 PolarHBondContact O-N 3.44Å
663	L	71.1	Confident	64.6	Low	87 Å²	87	97.1 Å²	97.1	46%	0.455	48%	0.479	S	S	.	.	S	Bend	trans	-63	-6.6	-179.1	-82.9	154.5	0	0	0	115.6	Y658 K659 E665	Y658-L663 HydrophobicContact CD1-CD1 3.71Å; Y658-L663 HydrophobicContact CE1-CD1 3.62Å; Y658-L663 HydrophobicContact CE1-CG 4.42Å; Y658-L663 PolarHBondContact O-N 2.94Å; K659-L663 HydrophobicContact CG-CD1 3.85Å; L663-E665 PolarHBondContact O-N 3.05Å
664	G	62.5	Low	63.6	Low	65 Å²	65	95 Å²	95	67%	0.67	48%	0.479	S	S	*	.			trans	64.8	-17	-179	0	0	0	0	0	116.2	H662 K666	H662-G664 PolarHBondContact O-N 3.44Å; G664-K666 PolarHBondContact O-N 2.86Å
665	E	57.7	Low	62.7	Low	109 Å²	109	96.8 Å²	96.8	51%	0.509	49%	0.492	S	S	.	.			trans	-53.8	134.3	-178.9	-77	-159.4	119.8	0	0	112.3	L663 V667	L663-E665 PolarHBondContact O-N 3.05Å; E665-V667 HydrophobicContact CB-CG2 3.44Å; E665-V667 VanDerWaalsContact CB-CG2 3.44Å; E665-V667 HydrophobicContact CG-CG2 4.36Å; E665-V667 PolarHBondContact O-N 3.07Å; E665-V667 VanDerWaalsContact OE2-CG2 3.27Å; E665-V667 WeakPolarHBondContact OE2-CG2 3.32Å
666	K	50.1	Low	62.1	Low	173 Å²	173	96.5 Å²	96.5	75%	0.752	49%	0.487	S	S	*	.			trans	-77.3	52.4	169.6	-67.3	173	-177.1	166.5	0	111.2	G664 W668 Q669	G664-K666 PolarHBondContact O-N 2.86Å; K666-W668 PolarHBondContact O-N 3.06Å; K666-Q669 PolarHBondContact O-N 3.29Å
667	V	48.7	Very low	61.9	Low	37 Å²	37	96.9 Å²	96.9	22%	0.224	48%	0.483	C	S	.	.	G	3₁₀ helix	trans	-55.7	-17.3	177.6	-176.1	0	0	0	0	112.7	K659 E665 Q669 K670 Y671	K659-V667 HydrophobicContact CB-CB 4.44Å; K659-V667 HydrophobicContact CB-CG2 3.92Å; K659-V667 HydrophobicContact CD-CG2 4.43Å; E665-V667 HydrophobicContact CB-CG2 3.44Å; E665-V667 VanDerWaalsContact CB-CG2 3.44Å; E665-V667 HydrophobicContact CG-CG2 4.36Å; E665-V667 PolarHBondContact O-N 3.07Å; E665-V667 VanDerWaalsContact OE2-CG2 3.27Å; E665-V667 WeakPolarHBondContact OE2-CG2 3.32Å; V667-Q669 PolarHBondContact O-N 3.28Å; V667-K670 PolarHBondContact O-N 2.86Å; V667-Y671 PolarHBondContact O-N 3.12Å
668	W	45	Very low	61.7	Low	141 Å²	141	96 Å²	96	53%	0.534	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-46.9	-24.2	162.7	-126	69.5	0	0	0	114.9	K666 K686	K666-W668 PolarHBondContact O-N 3.06Å; W668-K686 HydrophobicContact CH2-CB 3.75Å; W668-K686 HydrophobicContact CH2-CD 3.63Å; W668-K686 HydrophobicContact CH2-CG 3.49Å; W668-K686 VanDerWaalsContact CH2-CG 3.49Å; W668-K686 HydrophobicContact CZ2-CB 3.83Å; W668-K686 HydrophobicContact CZ2-CD 3.5Å; W668-K686 VanDerWaalsContact CZ2-CD 3.5Å; W668-K686 HydrophobicContact CZ2-CG 3.78Å
669	Q	52	Low	61.5	Low	157 Å²	157	99.5 Å²	99.5	73%	0.734	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-78.9	-33.6	173.5	-71.2	-177	-30.1	0	0	114.1	K666 V667 K672	K666-Q669 PolarHBondContact O-N 3.29Å; V667-Q669 PolarHBondContact O-N 3.28Å; Q669-K672 PolarHBondContact O-N 3.02Å
670	K	48	Very low	61.3	Low	200 Å²	200	100.2 Å²	100.2	87%	0.87	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-27.5	178.8	-111.7	173.4	-177.4	168.2	0	112.4	V667 K672	V667-K670 PolarHBondContact O-N 2.86Å; K670-K672 VanDerWaalsContact C-N 3.32Å; K670-K672 PolarHBondContact O-N 3.42Å
671	Y	46.5	Very low	61.3	Low	173 Å²	173	99 Å²	99	68%	0.678	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	54.5	163.5	-81.3	-80.8	0	0	0	111.9	V667 T673	V667-Y671 PolarHBondContact O-N 3.12Å; Y671-T673 PolarHBondContact O-N 2.93Å
672	K	46.2	Very low	61.3	Low	169 Å²	169	102.5 Å²	102.5	74%	0.735	51%	0.509	S	S	*	.			trans	-70.4	63.9	166	-164.9	177.1	-177.9	178.2	0	110.9	Q669 K670 A674	Q669-K672 PolarHBondContact O-N 3.02Å; K670-K672 VanDerWaalsContact C-N 3.32Å; K670-K672 PolarHBondContact O-N 3.42Å; K672-A674 PolarHBondContact O-N 3.07Å
673	T	51.2	Low	61.3	Low	85 Å²	85	106.5 Å²	106.5	52%	0.521	53%	0.526	S	S	.	.			trans	-49.9	124.9	146.8	53.3	0	0	0	0	106.1	Y671 V675	Y671-T673 PolarHBondContact O-N 2.93Å; T673-V675 PolarHBondContact O-N 3.15Å; T673-V675 VanDerWaalsContact O-N 3.14Å
674	A	57.4	Low	61.7	Low	58 Å²	58	108.8 Å²	108.8	48%	0.479	53%	0.534	S	S	.	.			trans	-44.3	125.4	-173.6	0	0	0	0	0	110.3	K672 H676	K672-A674 PolarHBondContact O-N 3.07Å; A674-H676 PolarHBondContact O-CD2 3.36Å; A674-H676 PolarHBondContact O-N 3.12Å
675	V	61.2	Low	62.3	Low	61 Å²	61	107.9 Å²	107.9	37%	0.37	51%	0.512	S	S	.	.			trans	-65.1	110.9	178.5	174.9	0	0	0	0	105.9	T673 Q677 E684	T673-V675 PolarHBondContact O-N 3.15Å; T673-V675 VanDerWaalsContact O-N 3.14Å; V675-Q677 VanDerWaalsContact C-N 3.33Å; V675-Q677 PolarHBondContact O-N 3.14Å; V675-E684 HydrophobicContact CG1-CB 3.62Å; V675-E684 HydrophobicContact CG1-CG 3.71Å; V675-E684 WeakPolarHBondContact CG1-OE2 3.42Å
676	H	66.3	Low	62.9	Low	39 Å²	39	110.1 Å²	110.1	18%	0.181	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	84.1	-165.5	-92.3	-57.8	0	0	0	107.8	A674 F685 K688 L691	A674-H676 PolarHBondContact O-CD2 3.36Å; A674-H676 PolarHBondContact O-N 3.12Å; H676-F685 PolarHBondContact N-O 3.06Å; H676-F685 WeakPolarHBondContact O-CB 3.48Å; H676-F685 WeakPolarHBondContact O-CD2 3.3Å; H676-F685 PolarHBondContact O-N 2.82Å; H676-K688 WeakPolarHBondContact CD2-CG 3.43Å; H676-K688 VanDerWaalsContact CE1-CE 3.46Å; H676-K688 WeakPolarHBondContact CE1-CE 3.37Å; H676-K688 WeakPolarHBondContact NE2-CE 3.45Å; H676-K688 WeakPolarHBondContact NE2-CG 3.4Å; H676-L691 HydrophobicContact CB-CB 3.82Å; H676-L691 HydrophobicContact CB-CD2 3.58Å; H676-L691 HydrophobicContact CB-CG 4.29Å
677	Q	75.8	Confident	64.1	Low	90 Å²	90	102.7 Å²	102.7	42%	0.421	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	141.7	178.1	-168.8	170.7	52.3	0	0	110.7	V675 K682 K683 E684	V675-Q677 VanDerWaalsContact C-N 3.33Å; V675-Q677 PolarHBondContact O-N 3.14Å; Q677-K682 WeakPolarHBondContact CG-O 3.47Å; Q677-K682 PolarHBondContact NE2-O 3.12Å; Q677-K683 CarbonylContact C-O 3.59Å; Q677-K683 WeakPolarHBondContact CA-O 3.49Å; Q677-E684 HydrophobicContact CG-CG 4.46Å
678	C	74.4	Confident	65.2	Low	0 Å²	0	108 Å²	108	0%	0	51%	0.513	C	S	.	.			trans	-85.6	117.3	171.3	-175.8	0	0	0	0	110.5	V680 C681 K682 K683 F685 L691 H694 F695 H698	C678-V680 VanDerWaalsContact C-N 3.25Å; C678-V680 PolarHBondContact O-N 2.8Å; C678-C681 PolarHBondContact O-N 2.86Å; C678-K682 WeakPolarHBondContact O-CA 3.12Å; C678-K682 PolarHBondContact O-N 2.66Å; C678-K683 PolarHBondContact N-O 2.87Å; C678-F685 HydrophobicContact CB-CE2 4.2Å; C678-L691 HydrophobicContact CB-CD1 3.67Å; C678-H694 VanDerWaalsContact SG-CD2 3.59Å; C678-F695 VanDerWaalsContact SG-CD1 3.56Å; C678-F695 WeakPolarHBondContact SG-CE1 3.33Å; C678-H698 PolarHBondContact SG-CD2 3.29Å; C678-H698 PolarHBondContact SG-NE2 3.4Å
679	E	75.1	Confident	66.6	Low	162 Å²	162	106.2 Å²	106.2	76%	0.757	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-39	-179.2	-70.1	149.1	-158.1	0	0	112.4	C681 F695	E679-C681 PolarHBondContact O-N 3.31Å; E679-F695 HydrophobicContact CB-CZ 4.45Å
680	V	72.1	Confident	67.8	Low	98 Å²	98	101 Å²	101	59%	0.594	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-32.9	-176.1	-178	0	0	0	0	113.8	C678 F695 H698	C678-V680 VanDerWaalsContact C-N 3.25Å; C678-V680 PolarHBondContact O-N 2.8Å; V680-F695 HydrophobicContact CG2-CE1 4.28Å; V680-H698 HydrophobicContact CB-CB 4.39Å; V680-H698 HydrophobicContact CG1-CB 4.11Å; V680-H698 HydrophobicContact CG2-CB 4.36Å
681	C	76.8	Confident	69.2	Low	46 Å²	46	92.2 Å²	92.2	31%	0.311	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.2	13.6	-175.7	80.1	0	0	0	0	115.5	C678 E679 K683 H694 H698	C678-C681 PolarHBondContact O-N 2.86Å; E679-C681 PolarHBondContact O-N 3.31Å; C681-K683 PolarHBondContact O-N 3.22Å; C681-H694 PolarHBondContact SG-NE2 2.66Å; C681-H698 VanDerWaalsContact SG-CE1 3.53Å; C681-H698 PolarHBondContact SG-NE2 2.83Å; C681-H698 VanDerWaalsContact SG-NE2 3.36Å
682	K	74.5	Confident	70.4	Confident	158 Å²	158	88.2 Å²	88.2	69%	0.687	45%	0.452	S	S	*	.			trans	54.9	11.9	175.9	-59.2	-175	-179.2	-178.5	0	116.4	Q677 C678	Q677-K682 WeakPolarHBondContact CG-O 3.47Å; Q677-K682 PolarHBondContact NE2-O 3.12Å; C678-K682 WeakPolarHBondContact O-CA 3.12Å; C678-K682 PolarHBondContact O-N 2.66Å
683	K	74.5	Confident	71.6	Confident	129 Å²	129	84.2 Å²	84.2	56%	0.561	44%	0.437	S	S	*	.			trans	-70.6	133.7	175.2	-71.1	-180	-176	179.4	0	111.2	Q677 C678 C681 F685	Q677-K683 CarbonylContact C-O 3.59Å; Q677-K683 WeakPolarHBondContact CA-O 3.49Å; C678-K683 PolarHBondContact N-O 2.87Å; C681-K683 PolarHBondContact O-N 3.22Å; K683-F685 HydrophobicContact CB-CE2 3.64Å; K683-F685 HydrophobicContact CB-CZ 3.92Å; K683-F685 VanDerWaalsContact O-CD2 3.32Å; K683-F685 WeakPolarHBondContact O-CD2 3.3Å; K683-F685 VanDerWaalsContact O-CE2 3.26Å; K683-F685 WeakPolarHBondContact O-CE2 3.43Å
684	E	79.1	Confident	72.7	Confident	134 Å²	134	81.4 Å²	81.4	63%	0.626	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	130.2	-176.9	-68.7	-173.1	176.3	0	0	112.4	V675 Q677	V675-E684 HydrophobicContact CG1-CB 3.62Å; V675-E684 HydrophobicContact CG1-CG 3.71Å; V675-E684 WeakPolarHBondContact CG1-OE2 3.42Å; Q677-E684 HydrophobicContact CG-CG 4.46Å
685	F	76.6	Confident	73.4	Confident	46 Å²	46	80.8 Å²	80.8	20%	0.202	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	138.1	179.7	-64.6	-86.8	0	0	0	112.9	H676 C678 K683 G687 L691 H694	H676-F685 PolarHBondContact N-O 3.06Å; H676-F685 WeakPolarHBondContact O-CB 3.48Å; H676-F685 WeakPolarHBondContact O-CD2 3.3Å; H676-F685 PolarHBondContact O-N 2.82Å; C678-F685 HydrophobicContact CB-CE2 4.2Å; K683-F685 HydrophobicContact CB-CE2 3.64Å; K683-F685 HydrophobicContact CB-CZ 3.92Å; K683-F685 VanDerWaalsContact O-CD2 3.32Å; K683-F685 WeakPolarHBondContact O-CD2 3.3Å; K683-F685 VanDerWaalsContact O-CE2 3.26Å; K683-F685 WeakPolarHBondContact O-CE2 3.43Å; F685-G687 PolarHBondContact O-N 3.28Å; F685-L691 HydrophobicContact CB-CB 4.04Å; F685-L691 HydrophobicContact CD2-CB 4.34Å; F685-L691 HydrophobicContact CD2-CD1 3.97Å; F685-L691 HydrophobicContact CG-CB 4.35Å; F685-H694 HydrophobicContact CD1-CB 4.4Å; F685-H694 HydrophobicContact CD2-CB 4.45Å; F685-H694 HydrophobicContact CE1-CB 3.81Å; F685-H694 AromaticContact CE1-CG 3.92Å; F685-H694 HydrophobicContact CE2-CB 3.88Å; F685-H694 AromaticContact CE2-CD2 3.12Å; F685-H694 WeakPolarHBondContact CE2-CD2 3.13Å; F685-H694 AromaticContact CE2-CG 3.48Å; F685-H694 VanDerWaalsContact CE2-CG 3.48Å; F685-H694 AromaticContact CE2-NE2 3.77Å; F685-H694 HydrophobicContact CZ-CB 3.53Å; F685-H694 AromaticContact CZ-CD2 3.3Å; F685-H694 WeakPolarHBondContact CZ-CD2 3.4Å; F685-H694 AromaticContact CZ-CG 3.16Å; F685-H694 AromaticContact CZ-ND1 3.66Å; F685-H694 AromaticContact CZ-NE2 3.82Å
686	K	68.8	Low	73.9	Confident	157 Å²	157	81.4 Å²	81.4	68%	0.683	40%	0.4	S	S	*	.	S	Bend	trans	-73.6	32.8	-178.1	-53	-163.8	161.8	-165.8	0	113.8	W668	W668-K686 HydrophobicContact CH2-CB 3.75Å; W668-K686 HydrophobicContact CH2-CD 3.63Å; W668-K686 HydrophobicContact CH2-CG 3.49Å; W668-K686 VanDerWaalsContact CH2-CG 3.49Å; W668-K686 HydrophobicContact CZ2-CB 3.83Å; W668-K686 HydrophobicContact CZ2-CD 3.5Å; W668-K686 VanDerWaalsContact CZ2-CD 3.5Å; W668-K686 HydrophobicContact CZ2-CG 3.78Å
687	G	76.6	Confident	74	Confident	17 Å²	17	81.9 Å²	81.9	18%	0.175	41%	0.406	C	S	.	.	S	Bend	trans	145	154.3	177.4	0	0	0	0	0	114.8	F685 S689 S690 L691	F685-G687 PolarHBondContact O-N 3.28Å; G687-S689 PolarHBondContact O-N 3.44Å; G687-S690 WeakPolarHBondContact O-CB 3.33Å; G687-S690 PolarHBondContact O-N 3.34Å; G687-L691 PolarHBondContact O-N 3.41Å
688	K	72.1	Confident	73.6	Confident	149 Å²	149	80.9 Å²	80.9	65%	0.648	40%	0.401	S	S	*	.	H	α-helix	trans	-50.2	-48.3	-174.3	-69.2	-171.8	176.4	-169.7	0	113.9	H676 S690 L691 E692	H676-K688 WeakPolarHBondContact CD2-CG 3.43Å; H676-K688 VanDerWaalsContact CE1-CE 3.46Å; H676-K688 WeakPolarHBondContact CE1-CE 3.37Å; H676-K688 WeakPolarHBondContact NE2-CE 3.45Å; H676-K688 WeakPolarHBondContact NE2-CG 3.4Å; K688-S690 PolarHBondContact O-N 3.24Å; K688-L691 PolarHBondContact O-N 2.94Å; K688-E692 VanDerWaalsContact O-CB 3.28Å; K688-E692 WeakPolarHBondContact O-CB 3.27Å; K688-E692 PolarHBondContact O-N 2.86Å
689	S	72.9	Confident	73.2	Confident	102 Å²	102	84.5 Å²	84.5	71%	0.713	43%	0.427	S	S	*	.	H	α-helix	trans	-64.5	-24	-178	-45	0	0	0	0	113.9	G687 M693	G687-S689 PolarHBondContact O-N 3.44Å; S689-M693 VanDerWaalsContact O-CB 3.29Å; S689-M693 WeakPolarHBondContact O-CB 3.46Å; S689-M693 PolarHBondContact O-N 2.84Å
690	S	78.1	Confident	72.6	Confident	47 Å²	47	78.6 Å²	78.6	33%	0.329	41%	0.409	S	S	.	.	H	α-helix	trans	-83	-38.4	176.5	-60.2	0	0	0	0	111.5	G687 K688 H694	G687-S690 WeakPolarHBondContact O-CB 3.33Å; G687-S690 PolarHBondContact O-N 3.34Å; K688-S690 PolarHBondContact O-N 3.24Å; S690-H694 WeakPolarHBondContact O-CB 3.35Å; S690-H694 PolarHBondContact O-N 3.07Å; S690-H694 VanDerWaalsContact O-N 3.11Å
691	L	77.4	Confident	72.1	Confident	17 Å²	17	79.6 Å²	79.6	9%	0.089	41%	0.407	C	S	.	.	H	α-helix	trans	-62.3	-48.2	169.6	172.4	60.9	0	0	0	111.1	H676 C678 F685 G687 K688 M693 H694 F695	H676-L691 HydrophobicContact CB-CB 3.82Å; H676-L691 HydrophobicContact CB-CD2 3.58Å; H676-L691 HydrophobicContact CB-CG 4.29Å; C678-L691 HydrophobicContact CB-CD1 3.67Å; F685-L691 HydrophobicContact CB-CB 4.04Å; F685-L691 HydrophobicContact CD2-CB 4.34Å; F685-L691 HydrophobicContact CD2-CD1 3.97Å; F685-L691 HydrophobicContact CG-CB 4.35Å; G687-L691 PolarHBondContact O-N 3.41Å; K688-L691 PolarHBondContact O-N 2.94Å; L691-M693 PolarHBondContact O-N 2.95Å; L691-H694 CarbonylContact O-C 3.58Å; L691-H694 WeakPolarHBondContact O-CA 3.22Å; L691-H694 WeakPolarHBondContact O-CB 3.26Å; L691-H694 PolarHBondContact O-N 3.35Å; L691-F695 HydrophobicContact CD1-CD2 3.67Å; L691-F695 HydrophobicContact CD1-CE2 3.52Å; L691-F695 HydrophobicContact CD1-CG 4.41Å; L691-F695 HydrophobicContact CD1-CZ 4.12Å; L691-F695 HydrophobicContact CD2-CD2 4.31Å; L691-F695 HydrophobicContact CD2-CE2 3.76Å; L691-F695 HydrophobicContact CG-CD2 3.67Å; L691-F695 HydrophobicContact CG-CE2 3.6Å; L691-F695 PolarHBondContact O-N 2.93Å
692	E	71.8	Confident	71.5	Confident	88 Å²	88	81.7 Å²	81.7	41%	0.411	41%	0.411	S	S	.	.	H	α-helix	trans	-54.6	-48.9	175.4	171.4	55.6	-149	0	0	112.1	K688 H694 F695 R696	K688-E692 VanDerWaalsContact O-CB 3.28Å; K688-E692 WeakPolarHBondContact O-CB 3.27Å; K688-E692 PolarHBondContact O-N 2.86Å; E692-H694 PolarHBondContact O-N 2.96Å; E692-F695 PolarHBondContact O-N 3.36Å; E692-R696 WeakPolarHBondContact O-CG 3.2Å; E692-R696 PolarHBondContact O-N 2.89Å; E692-R696 IonicContact OE1-CZ 2.78Å; E692-R696 IonicContact OE1-NE 3.15Å; E692-R696 PolarHBondContact OE1-NE 2.69Å; E692-R696 IonicContact OE1-NH2 3.51Å; E692-R696 PolarHBondContact OE1-NH2 2.72Å
693	M	70.4	Confident	71.2	Confident	86 Å²	86	77.5 Å²	77.5	42%	0.424	40%	0.4	S	S	.	.	H	α-helix	trans	-62	-25	175	-176.1	175.7	65.9	0	0	112.9	S689 L691 I715	S689-M693 VanDerWaalsContact O-CB 3.29Å; S689-M693 WeakPolarHBondContact O-CB 3.46Å; S689-M693 PolarHBondContact O-N 2.84Å; L691-M693 PolarHBondContact O-N 2.95Å; M693-I715 HydrophobicContact CG-CD1 3.93Å; M693-I715 HydrophobicContact CG-CG1 3.98Å; M693-I715 HydrophobicContact SD-CD1 3.65Å; M693-I715 HydrophobicContact SD-CG1 4.07Å; M693-I715 HydrophobicContact SD-CG2 4.24Å
694	H	75.8	Confident	70.9	Confident	25 Å²	25	73.9 Å²	73.9	12%	0.116	39%	0.385	C	S	.	.	H	α-helix	trans	-90	-33.1	177.1	174.9	65.5	0	0	0	113.7	C678 C681 F685 S690 L691 E692 R696 T697 H698	C678-H694 VanDerWaalsContact SG-CD2 3.59Å; C681-H694 PolarHBondContact SG-NE2 2.66Å; F685-H694 HydrophobicContact CD1-CB 4.4Å; F685-H694 HydrophobicContact CD2-CB 4.45Å; F685-H694 HydrophobicContact CE1-CB 3.81Å; F685-H694 AromaticContact CE1-CG 3.92Å; F685-H694 HydrophobicContact CE2-CB 3.88Å; F685-H694 AromaticContact CE2-CD2 3.12Å; F685-H694 WeakPolarHBondContact CE2-CD2 3.13Å; F685-H694 AromaticContact CE2-CG 3.48Å; F685-H694 VanDerWaalsContact CE2-CG 3.48Å; F685-H694 AromaticContact CE2-NE2 3.77Å; F685-H694 HydrophobicContact CZ-CB 3.53Å; F685-H694 AromaticContact CZ-CD2 3.3Å; F685-H694 WeakPolarHBondContact CZ-CD2 3.4Å; F685-H694 AromaticContact CZ-CG 3.16Å; F685-H694 AromaticContact CZ-ND1 3.66Å; F685-H694 AromaticContact CZ-NE2 3.82Å; S690-H694 WeakPolarHBondContact O-CB 3.35Å; S690-H694 PolarHBondContact O-N 3.07Å; S690-H694 VanDerWaalsContact O-N 3.11Å; L691-H694 CarbonylContact O-C 3.58Å; L691-H694 WeakPolarHBondContact O-CA 3.22Å; L691-H694 WeakPolarHBondContact O-CB 3.26Å; L691-H694 PolarHBondContact O-N 3.35Å; E692-H694 PolarHBondContact O-N 2.96Å; H694-R696 PolarHBondContact O-N 2.89Å; H694-T697 PolarHBondContact CE1-OG1 2.95Å; H694-T697 PolarHBondContact ND1-OG1 3.25Å; H694-T697 VanDerWaalsContact ND1-OG1 3.11Å; H694-T697 WeakPolarHBondContact O-CA 3.49Å; H694-T697 VanDerWaalsContact O-CB 3.27Å; H694-T697 WeakPolarHBondContact O-CB 3.14Å; H694-T697 PolarHBondContact O-N 3.45Å; H694-T697 PolarHBondContact O-OG1 2.95Å; H694-H698 AromaticContact CD2-NE2 3.78Å; H694-H698 AromaticContact CE1-CE1 3.96Å; H694-H698 AromaticContact CE1-NE2 3.4Å; H694-H698 PolarHBondContact CE1-NE2 3.17Å; H694-H698 AromaticContact NE2-CD2 3.85Å; H694-H698 AromaticContact NE2-CE1 3.86Å; H694-H698 AromaticContact NE2-NE2 2.97Å; H694-H698 PolarHBondContact NE2-NE2 2.84Å
695	F	70.4	Confident	70.6	Confident	46 Å²	46	74.5 Å²	74.5	20%	0.202	38%	0.381	C	S	.	.	H	α-helix	trans	-59.6	-36.8	172.7	-90.5	-56.3	0	0	0	111.2	C678 E679 V680 L691 E692 T697 H698 S699	C678-F695 VanDerWaalsContact SG-CD1 3.56Å; C678-F695 WeakPolarHBondContact SG-CE1 3.33Å; E679-F695 HydrophobicContact CB-CZ 4.45Å; V680-F695 HydrophobicContact CG2-CE1 4.28Å; L691-F695 HydrophobicContact CD1-CD2 3.67Å; L691-F695 HydrophobicContact CD1-CE2 3.52Å; L691-F695 HydrophobicContact CD1-CG 4.41Å; L691-F695 HydrophobicContact CD1-CZ 4.12Å; L691-F695 HydrophobicContact CD2-CD2 4.31Å; L691-F695 HydrophobicContact CD2-CE2 3.76Å; L691-F695 HydrophobicContact CG-CD2 3.67Å; L691-F695 HydrophobicContact CG-CE2 3.6Å; L691-F695 PolarHBondContact O-N 2.93Å; E692-F695 PolarHBondContact O-N 3.36Å; F695-T697 PolarHBondContact O-N 2.97Å; F695-H698 WeakPolarHBondContact O-CA 3.1Å; F695-H698 PolarHBondContact O-N 2.98Å; F695-S699 PolarHBondContact O-N 2.68Å; F695-S699 PolarHBondContact O-OG 2.82Å
696	R	72.6	Confident	70.5	Confident	73 Å²	73	72.3 Å²	72.3	28%	0.275	37%	0.372	S	S	.	.	H	α-helix	trans	-60.1	-8.7	168.8	-61.3	169.4	-167.9	-147.4	-5.2	114.5	E692 H694 R714	E692-R696 WeakPolarHBondContact O-CG 3.2Å; E692-R696 PolarHBondContact O-N 2.89Å; E692-R696 IonicContact OE1-CZ 2.78Å; E692-R696 IonicContact OE1-NE 3.15Å; E692-R696 PolarHBondContact OE1-NE 2.69Å; E692-R696 IonicContact OE1-NH2 3.51Å; E692-R696 PolarHBondContact OE1-NH2 2.72Å; H694-R696 PolarHBondContact O-N 2.89Å; R696-R714 VanDerWaalsContact O-CD 3.31Å; R696-R714 WeakPolarHBondContact O-CD 3.33Å; R696-R714 PolarHBondContact O-NE 3.32Å
697	T	68.5	Low	70.8	Confident	50 Å²	50	68.8 Å²	68.8	31%	0.307	37%	0.365	S	S	.	.	H	α-helix	trans	-84	-25	168.8	72.7	0	0	0	0	113.5	H694 F695 R714	H694-T697 PolarHBondContact CE1-OG1 2.95Å; H694-T697 PolarHBondContact ND1-OG1 3.25Å; H694-T697 VanDerWaalsContact ND1-OG1 3.11Å; H694-T697 WeakPolarHBondContact O-CA 3.49Å; H694-T697 VanDerWaalsContact O-CB 3.27Å; H694-T697 WeakPolarHBondContact O-CB 3.14Å; H694-T697 PolarHBondContact O-N 3.45Å; H694-T697 PolarHBondContact O-OG1 2.95Å; F695-T697 PolarHBondContact O-N 2.97Å; T697-R714 PolarHBondContact O-NH2 3.25Å
698	H	67.6	Low	70.5	Confident	69 Å²	69	73.8 Å²	73.8	32%	0.319	38%	0.384	S	S	.	.	H	α-helix	trans	-91	-50	174.2	-57.1	-58.6	0	0	0	111.9	C678 V680 C681 H694 F695 G700	C678-H698 PolarHBondContact SG-CD2 3.29Å; C678-H698 PolarHBondContact SG-NE2 3.4Å; V680-H698 HydrophobicContact CB-CB 4.39Å; V680-H698 HydrophobicContact CG1-CB 4.11Å; V680-H698 HydrophobicContact CG2-CB 4.36Å; C681-H698 VanDerWaalsContact SG-CE1 3.53Å; C681-H698 PolarHBondContact SG-NE2 2.83Å; C681-H698 VanDerWaalsContact SG-NE2 3.36Å; H694-H698 AromaticContact CD2-NE2 3.78Å; H694-H698 AromaticContact CE1-CE1 3.96Å; H694-H698 AromaticContact CE1-NE2 3.4Å; H694-H698 PolarHBondContact CE1-NE2 3.17Å; H694-H698 AromaticContact NE2-CD2 3.85Å; H694-H698 AromaticContact NE2-CE1 3.86Å; H694-H698 AromaticContact NE2-NE2 2.97Å; H694-H698 PolarHBondContact NE2-NE2 2.84Å; F695-H698 WeakPolarHBondContact O-CA 3.1Å; F695-H698 PolarHBondContact O-N 2.98Å; H698-G700 PolarHBondContact O-N 3.47Å
699	S	65.4	Low	70.7	Confident	76 Å²	76	69.2 Å²	69.2	53%	0.531	37%	0.37	S	S	.	.	S	Bend	trans	-64.9	0.5	-178.8	-42.9	0	0	0	0	114.6	F695 E701	F695-S699 PolarHBondContact O-N 2.68Å; F695-S699 PolarHBondContact O-OG 2.82Å; S699-E701 PolarHBondContact O-N 3.25Å
700	G	63	Low	70.4	Confident	37 Å²	37	69.4 Å²	69.4	38%	0.381	36%	0.359	S	S	.	.			trans	71.8	-30.4	-177.5	0	0	0	0	0	115.2	H698 K702	H698-G700 PolarHBondContact O-N 3.47Å; G700-K702 WeakPolarHBondContact O-CG 3.5Å
701	E	60.3	Low	70.1	Confident	119 Å²	119	72.2 Å²	72.2	56%	0.556	37%	0.367	S	S	*	.			trans	-46.6	130.8	-172.3	-70.6	-174.2	-161.4	0	0	114.7	S699	S699-E701 PolarHBondContact O-N 3.25Å
702	K	64.8	Low	69.8	Low	91 Å²	91	73.5 Å²	73.5	40%	0.396	38%	0.376	S	S	.	.			trans	-131.8	75.6	-179.1	-74.9	151.8	142.7	-142.9	0	109.9	G700 H704 T712 F713 R714	G700-K702 WeakPolarHBondContact O-CG 3.5Å; K702-H704 PolarHBondContact O-N 2.91Å; K702-T712 WeakPolarHBondContact CD-O 3.48Å; K702-T712 WeakPolarHBondContact CD-OG1 3.25Å; K702-T712 WeakPolarHBondContact CE-O 3.45Å; K702-T712 WeakPolarHBondContact CG-O 3.36Å; K702-T712 PolarHBondContact NZ-O 2.82Å; K702-T712 VanDerWaalsContact NZ-O 3.13Å; K702-T712 PolarHBondContact NZ-OG1 3.28Å; K702-F713 CarbonylContact C-O 3.25Å; K702-F713 VanDerWaalsContact C-O 3.25Å; K702-F713 WeakPolarHBondContact CA-O 3.24Å; K702-R714 HydrophobicContact CG-CG 3.67Å
703	P	68.8	Low	70	Confident	69 Å²	69	71.3 Å²	71.3	45%	0.448	37%	0.365	S	S	.	.			trans	-67.3	0.3	-169.2	-22.2	35.3	0	0	0	115.9
704	H	68.9	Low	70.1	Confident	53 Å²	53	71.4 Å²	71.4	25%	0.245	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	83.7	-176.2	-58.5	-51.1	0	0	0	110.2	K702 F713 I715 K716 L719	K702-H704 PolarHBondContact O-N 2.91Å; H704-F713 HydrophobicContact CB-CB 4.32Å; H704-F713 WeakPolarHBondContact CB-O 3.19Å; H704-F713 PolarHBondContact N-O 2.69Å; H704-F713 PolarHBondContact O-N 3.08Å; H704-I715 VanDerWaalsContact CD2-C 3.44Å; H704-K716 PolarHBondContact CD2-N 3.26Å; H704-K716 PolarHBondContact NE2-N 3.13Å; H704-L719 HydrophobicContact CB-CB 4.12Å; H704-L719 HydrophobicContact CB-CD2 3.85Å
705	R	71	Confident	70.1	Confident	147 Å²	147	73 Å²	73	56%	0.555	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	137.4	171	-172.5	175.8	175.8	120	-14.8	110.1	H710 T712	R705-H710 PolarHBondContact NE-ND1 2.92Å; R705-H710 PolarHBondContact NH2-CD2 3.12Å; R705-H710 PolarHBondContact NH2-NE2 3.29Å; R705-T712 HydrophobicContact CB-CG2 4.05Å; R705-T712 HydrophobicContact CG-CG2 4.02Å
706	C	76.3	Confident	70.3	Confident	0 Å²	0	77.6 Å²	77.6	0%	0	39%	0.39	C	S	.	.			trans	-72	129.7	168	178.6	0	0	0	0	109.9	C709 H710 Q711 F713 L719 H722 M723	C706-C709 PolarHBondContact SG-N 3.43Å; C706-H710 WeakPolarHBondContact O-CA 3.48Å; C706-H710 PolarHBondContact O-N 3.39Å; C706-H710 VanDerWaalsContact O-N 3.11Å; C706-H710 PolarHBondContact O-ND1 3.26Å; C706-Q711 VanDerWaalsContact CB-O 3.3Å; C706-Q711 WeakPolarHBondContact CB-O 3.43Å; C706-Q711 PolarHBondContact N-O 3.03Å; C706-F713 HydrophobicContact CB-CE2 4.26Å; C706-L719 HydrophobicContact CB-CD1 3.88Å; C706-H722 PolarHBondContact SG-NE2 2.83Å; C706-M723 WeakPolarHBondContact SG-CE 3.41Å
707	P	73.4	Confident	70.4	Confident	84 Å²	84	82.2 Å²	82.2	55%	0.545	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-47.6	174.8	24.4	-32	0	0	0	111	H710 M723	P707-H710 PolarHBondContact O-CE1 3.46Å; P707-H710 PolarHBondContact O-ND1 3.37Å; P707-M723 HydrophobicContact CG-CE 4.1Å; P707-M723 HydrophobicContact CG-SD 4.2Å
708	E	70.7	Confident	70.8	Confident	121 Å²	121	82.6 Å²	82.6	57%	0.565	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-44.5	-166.4	-69.7	150.1	-104.2	0	0	114.9	M723 H726	E708-M723 WeakPolarHBondContact OE1-CE 3.48Å; E708-H726 WeakPolarHBondContact OE2-CB 3.47Å; E708-H726 IonicContact OE2-CD2 3.86Å; E708-H726 IonicContact OE2-CG 3.66Å
709	C	76	Confident	71.3	Confident	53 Å²	53	80.4 Å²	80.4	36%	0.358	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.1	13.2	177.9	83.7	0	0	0	0	114.5	C706 Q711 H722 H726	C706-C709 PolarHBondContact SG-N 3.43Å; C709-Q711 PolarHBondContact O-N 2.88Å; C709-H722 PolarHBondContact SG-CE1 3.32Å; C709-H722 PolarHBondContact SG-NE2 2.87Å; C709-H726 PolarHBondContact SG-CE1 3.32Å; C709-H726 PolarHBondContact SG-NE2 3.45Å
710	H	66.5	Low	71.7	Confident	107 Å²	107	80.8 Å²	80.8	50%	0.495	40%	0.403	S	S	.	.			trans	60.5	1.6	171.9	-64.4	-16.5	0	0	0	117.4	R705 C706 P707 T712	R705-H710 PolarHBondContact NE-ND1 2.92Å; R705-H710 PolarHBondContact NH2-CD2 3.12Å; R705-H710 PolarHBondContact NH2-NE2 3.29Å; C706-H710 WeakPolarHBondContact O-CA 3.48Å; C706-H710 PolarHBondContact O-N 3.39Å; C706-H710 VanDerWaalsContact O-N 3.11Å; C706-H710 PolarHBondContact O-ND1 3.26Å; P707-H710 PolarHBondContact O-CE1 3.46Å; P707-H710 PolarHBondContact O-ND1 3.37Å; H710-T712 PolarHBondContact O-N 2.85Å
711	Q	72.6	Confident	72.1	Confident	105 Å²	105	83.5 Å²	83.5	49%	0.491	41%	0.405	S	S	.	.			trans	-58.1	134.7	173	-74.4	-64.2	-20.2	0	0	111.4	C706 C709 F713	C706-Q711 VanDerWaalsContact CB-O 3.3Å; C706-Q711 WeakPolarHBondContact CB-O 3.43Å; C706-Q711 PolarHBondContact N-O 3.03Å; C709-Q711 PolarHBondContact O-N 2.88Å; Q711-F713 HydrophobicContact CB-CE2 3.65Å; Q711-F713 HydrophobicContact CB-CZ 3.83Å; Q711-F713 WeakPolarHBondContact O-CD2 3.08Å; Q711-F713 VanDerWaalsContact O-CE2 3.24Å; Q711-F713 WeakPolarHBondContact O-CE2 3.32Å
712	T	71.7	Confident	72.8	Confident	45 Å²	45	78.9 Å²	78.9	28%	0.276	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	123.4	-169.3	43.9	0	0	0	0	111.1	K702 R705 H710	K702-T712 WeakPolarHBondContact CD-O 3.48Å; K702-T712 WeakPolarHBondContact CD-OG1 3.25Å; K702-T712 WeakPolarHBondContact CE-O 3.45Å; K702-T712 WeakPolarHBondContact CG-O 3.36Å; K702-T712 PolarHBondContact NZ-O 2.82Å; K702-T712 VanDerWaalsContact NZ-O 3.13Å; K702-T712 PolarHBondContact NZ-OG1 3.28Å; R705-T712 HydrophobicContact CB-CG2 4.05Å; R705-T712 HydrophobicContact CG-CG2 4.02Å; H710-T712 PolarHBondContact O-N 2.85Å
713	F	74.8	Confident	73.1	Confident	41 Å²	41	76.8 Å²	76.8	18%	0.18	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	141.9	-172.1	-63.2	-85.7	0	0	0	112.9	K702 H704 C706 Q711 I715 L719 H722	K702-F713 CarbonylContact C-O 3.25Å; K702-F713 VanDerWaalsContact C-O 3.25Å; K702-F713 WeakPolarHBondContact CA-O 3.24Å; H704-F713 HydrophobicContact CB-CB 4.32Å; H704-F713 WeakPolarHBondContact CB-O 3.19Å; H704-F713 PolarHBondContact N-O 2.69Å; H704-F713 PolarHBondContact O-N 3.08Å; C706-F713 HydrophobicContact CB-CE2 4.26Å; Q711-F713 HydrophobicContact CB-CE2 3.65Å; Q711-F713 HydrophobicContact CB-CZ 3.83Å; Q711-F713 WeakPolarHBondContact O-CD2 3.08Å; Q711-F713 VanDerWaalsContact O-CE2 3.24Å; Q711-F713 WeakPolarHBondContact O-CE2 3.32Å; F713-I715 VanDerWaalsContact C-N 3.33Å; F713-L719 HydrophobicContact CB-CB 4.16Å; F713-L719 HydrophobicContact CD2-CB 4.09Å; F713-L719 HydrophobicContact CD2-CD1 3.87Å; F713-L719 HydrophobicContact CE2-CD1 4.19Å; F713-L719 HydrophobicContact CG-CB 4.22Å; F713-H722 HydrophobicContact CE1-CB 3.93Å; F713-H722 HydrophobicContact CE2-CB 3.96Å; F713-H722 AromaticContact CE2-CD2 3.29Å; F713-H722 WeakPolarHBondContact CE2-CD2 3.4Å; F713-H722 AromaticContact CE2-CG 3.55Å; F713-H722 AromaticContact CE2-NE2 3.77Å; F713-H722 HydrophobicContact CZ-CB 3.52Å; F713-H722 AromaticContact CZ-CD2 3.48Å; F713-H722 VanDerWaalsContact CZ-CD2 3.48Å; F713-H722 WeakPolarHBondContact CZ-CD2 3.48Å; F713-H722 AromaticContact CZ-CE1 3.92Å; F713-H722 AromaticContact CZ-CG 3.21Å; F713-H722 AromaticContact CZ-ND1 3.52Å; F713-H722 AromaticContact CZ-NE2 3.9Å
714	R	73.1	Confident	73.4	Confident	88 Å²	88	75.3 Å²	75.3	33%	0.332	37%	0.365	S	S	.	.	S	Bend	trans	-73.9	-19.4	177.6	-63.7	-179.6	168.7	163.2	-11.1	113.7	R696 T697 K702	R696-R714 VanDerWaalsContact O-CD 3.31Å; R696-R714 WeakPolarHBondContact O-CD 3.33Å; R696-R714 PolarHBondContact O-NE 3.32Å; T697-R714 PolarHBondContact O-NH2 3.25Å; K702-R714 HydrophobicContact CG-CG 3.67Å
715	I	75.7	Confident	73.4	Confident	58 Å²	58	77 Å²	77	30%	0.297	38%	0.375	S	S	.	.	S	Bend	trans	-140.5	132.1	-170.2	-47.7	172.4	0	0	0	110.1	M693 H704 F713 K717 T718 L719	M693-I715 HydrophobicContact CG-CD1 3.93Å; M693-I715 HydrophobicContact CG-CG1 3.98Å; M693-I715 HydrophobicContact SD-CD1 3.65Å; M693-I715 HydrophobicContact SD-CG1 4.07Å; M693-I715 HydrophobicContact SD-CG2 4.24Å; H704-I715 VanDerWaalsContact CD2-C 3.44Å; F713-I715 VanDerWaalsContact C-N 3.33Å; I715-K717 HydrophobicContact CG2-CB 4.11Å; I715-K717 PolarHBondContact O-N 2.68Å; I715-K717 VanDerWaalsContact O-N 3.15Å; I715-T718 HydrophobicContact CB-CG2 4.46Å; I715-T718 PolarHBondContact O-N 2.67Å; I715-T718 PolarHBondContact O-OG1 3.43Å; I715-L719 PolarHBondContact O-N 3.27Å; I715-L719 VanDerWaalsContact O-N 3.17Å
716	K	75.3	Confident	73.1	Confident	144 Å²	144	72.8 Å²	72.8	63%	0.626	36%	0.361	S	S	*	.	H	α-helix	trans	-55.2	-36.4	178.2	-172.2	168.9	-178.3	170.9	0	112.7	H704 T718 L719 T720	H704-K716 PolarHBondContact CD2-N 3.26Å; H704-K716 PolarHBondContact NE2-N 3.13Å; K716-T718 VanDerWaalsContact C-N 3.33Å; K716-T718 PolarHBondContact O-N 2.79Å; K716-L719 PolarHBondContact O-N 3.26Å; K716-T720 PolarHBondContact O-N 3.49Å; K716-T720 PolarHBondContact O-OG1 2.88Å; K716-T720 VanDerWaalsContact O-OG1 3.04Å
717	K	74.4	Confident	72.6	Confident	169 Å²	169	75.1 Å²	75.1	74%	0.735	38%	0.378	S	S	*	.	H	α-helix	trans	-62.2	-33.2	175.2	-67.8	-175.4	178.7	179.9	0	113.7	I715 K721	I715-K717 HydrophobicContact CG2-CB 4.11Å; I715-K717 PolarHBondContact O-N 2.68Å; I715-K717 VanDerWaalsContact O-N 3.15Å; K717-K721 PolarHBondContact O-N 2.91Å
718	T	76.9	Confident	71.8	Confident	58 Å²	58	77.1 Å²	77.1	36%	0.356	38%	0.384	S	S	.	.	H	α-helix	trans	-81	-33.5	177.3	53.4	0	0	0	0	111.7	I715 K716 K721 H722	I715-T718 HydrophobicContact CB-CG2 4.46Å; I715-T718 PolarHBondContact O-N 2.67Å; I715-T718 PolarHBondContact O-OG1 3.43Å; K716-T718 VanDerWaalsContact C-N 3.33Å; K716-T718 PolarHBondContact O-N 2.79Å; T718-K721 PolarHBondContact O-N 3.13Å; T718-H722 WeakPolarHBondContact O-CB 3.47Å; T718-H722 PolarHBondContact O-N 2.93Å
719	L	77	Confident	71.4	Confident	24 Å²	24	74.5 Å²	74.5	13%	0.126	38%	0.383	C	S	.	.	H	α-helix	trans	-57.6	-50.5	164.5	174.6	59.1	0	0	0	110.6	H704 C706 F713 I715 K716 K721 H722 M723	H704-L719 HydrophobicContact CB-CB 4.12Å; H704-L719 HydrophobicContact CB-CD2 3.85Å; C706-L719 HydrophobicContact CB-CD1 3.88Å; F713-L719 HydrophobicContact CB-CB 4.16Å; F713-L719 HydrophobicContact CD2-CB 4.09Å; F713-L719 HydrophobicContact CD2-CD1 3.87Å; F713-L719 HydrophobicContact CE2-CD1 4.19Å; F713-L719 HydrophobicContact CG-CB 4.22Å; I715-L719 PolarHBondContact O-N 3.27Å; I715-L719 VanDerWaalsContact O-N 3.17Å; K716-L719 PolarHBondContact O-N 3.26Å; L719-K721 VanDerWaalsContact C-N 3.35Å; L719-K721 PolarHBondContact O-N 3.19Å; L719-H722 CarbonylContact O-C 3.53Å; L719-H722 WeakPolarHBondContact O-CA 3.29Å; L719-H722 WeakPolarHBondContact O-CB 3.37Å; L719-H722 PolarHBondContact O-N 2.91Å; L719-M723 HydrophobicContact CD1-CG 3.89Å; L719-M723 HydrophobicContact CD1-SD 3.94Å; L719-M723 HydrophobicContact CG-CG 4.13Å; L719-M723 HydrophobicContact CG-SD 4.4Å; L719-M723 WeakPolarHBondContact O-CG 3.29Å; L719-M723 PolarHBondContact O-N 3.19Å
720	T	75.4	Confident	70.8	Confident	83 Å²	83	78.2 Å²	78.2	51%	0.509	39%	0.389	S	S	.	.	H	α-helix	trans	-59	-42	178.1	-52.3	0	0	0	0	112.4	K716 H722 M723	K716-T720 PolarHBondContact O-N 3.49Å; K716-T720 PolarHBondContact O-OG1 2.88Å; K716-T720 VanDerWaalsContact O-OG1 3.04Å; T720-H722 PolarHBondContact O-N 2.67Å; T720-M723 PolarHBondContact O-N 3.01Å
721	K	70.7	Confident	70.8	Confident	95 Å²	95	77 Å²	77	41%	0.413	39%	0.391	S	S	.	.	H	α-helix	trans	-65.9	-23.1	173	-80.9	-162.6	172.3	-164.9	0	113.8	K717 T718 L719 D745	K717-K721 PolarHBondContact O-N 2.91Å; T718-K721 PolarHBondContact O-N 3.13Å; L719-K721 VanDerWaalsContact C-N 3.35Å; L719-K721 PolarHBondContact O-N 3.19Å; K721-D745 VanDerWaalsContact NZ-CG 3.31Å; K721-D745 IonicContact NZ-OD1 2.74Å; K721-D745 PolarHBondContact NZ-OD1 2.82Å; K721-D745 IonicContact NZ-OD2 3.46Å; K721-D745 PolarHBondContact NZ-OD2 3.43Å
722	H	75.2	Confident	70.6	Confident	21 Å²	21	75.3 Å²	75.3	10%	0.097	38%	0.382	C	S	.	.	H	α-helix	trans	-85.3	-31.8	176.5	166.5	78	0	0	0	112.7	C706 C709 F713 T718 L719 T720 V724 I725 H726	C706-H722 PolarHBondContact SG-NE2 2.83Å; C709-H722 PolarHBondContact SG-CE1 3.32Å; C709-H722 PolarHBondContact SG-NE2 2.87Å; F713-H722 HydrophobicContact CE1-CB 3.93Å; F713-H722 HydrophobicContact CE2-CB 3.96Å; F713-H722 AromaticContact CE2-CD2 3.29Å; F713-H722 WeakPolarHBondContact CE2-CD2 3.4Å; F713-H722 AromaticContact CE2-CG 3.55Å; F713-H722 AromaticContact CE2-NE2 3.77Å; F713-H722 HydrophobicContact CZ-CB 3.52Å; F713-H722 AromaticContact CZ-CD2 3.48Å; F713-H722 VanDerWaalsContact CZ-CD2 3.48Å; F713-H722 WeakPolarHBondContact CZ-CD2 3.48Å; F713-H722 AromaticContact CZ-CE1 3.92Å; F713-H722 AromaticContact CZ-CG 3.21Å; F713-H722 AromaticContact CZ-ND1 3.52Å; F713-H722 AromaticContact CZ-NE2 3.9Å; T718-H722 WeakPolarHBondContact O-CB 3.47Å; T718-H722 PolarHBondContact O-N 2.93Å; L719-H722 CarbonylContact O-C 3.53Å; L719-H722 WeakPolarHBondContact O-CA 3.29Å; L719-H722 WeakPolarHBondContact O-CB 3.37Å; L719-H722 PolarHBondContact O-N 2.91Å; T720-H722 PolarHBondContact O-N 2.67Å; H722-V724 PolarHBondContact O-N 3.06Å; H722-I725 WeakPolarHBondContact O-CA 3.31Å; H722-I725 WeakPolarHBondContact O-CB 3.22Å; H722-I725 WeakPolarHBondContact O-CG1 3.49Å; H722-I725 PolarHBondContact O-N 2.71Å; H722-H726 AromaticContact CD2-NE2 3.88Å; H722-H726 AromaticContact CE1-CE1 3.87Å; H722-H726 AromaticContact CE1-NE2 3.37Å; H722-H726 PolarHBondContact CE1-NE2 3.21Å; H722-H726 AromaticContact NE2-CD2 3.94Å; H722-H726 AromaticContact NE2-CE1 3.94Å; H722-H726 AromaticContact NE2-NE2 3.04Å; H722-H726 PolarHBondContact NE2-NE2 3.29Å
723	M	70.9	Confident	70.8	Confident	48 Å²	48	78 Å²	78	24%	0.236	40%	0.395	C	S	.	.	H	α-helix	trans	-62.3	-29.7	175.9	-57.1	-100.8	55.8	0	0	111.4	C706 P707 E708 L719 T720 I725 H726 S727	C706-M723 WeakPolarHBondContact SG-CE 3.41Å; P707-M723 HydrophobicContact CG-CE 4.1Å; P707-M723 HydrophobicContact CG-SD 4.2Å; E708-M723 WeakPolarHBondContact OE1-CE 3.48Å; L719-M723 HydrophobicContact CD1-CG 3.89Å; L719-M723 HydrophobicContact CD1-SD 3.94Å; L719-M723 HydrophobicContact CG-CG 4.13Å; L719-M723 HydrophobicContact CG-SD 4.4Å; L719-M723 WeakPolarHBondContact O-CG 3.29Å; L719-M723 PolarHBondContact O-N 3.19Å; T720-M723 PolarHBondContact O-N 3.01Å; M723-I725 PolarHBondContact O-N 3.15Å; M723-I725 VanDerWaalsContact O-N 3.11Å; M723-H726 PolarHBondContact O-N 2.8Å; M723-H726 VanDerWaalsContact O-N 3.16Å; M723-S727 PolarHBondContact O-N 2.82Å; M723-S727 VanDerWaalsContact O-N 3.15Å
724	V	74.2	Confident	71	Confident	38 Å²	38	76.6 Å²	76.6	23%	0.23	39%	0.39	C	S	.	.	H	α-helix	trans	-68.1	-2.8	171.3	-163.1	0	0	0	0	113.2	H722 S727 P731 K742	H722-V724 PolarHBondContact O-N 3.06Å; V724-S727 WeakPolarHBondContact CA-OG 3.49Å; V724-P731 HydrophobicContact CG1-CG 4.4Å; V724-K742 HydrophobicContact CG1-CB 4.47Å; V724-K742 VanDerWaalsContact CG1-O 3.24Å; V724-K742 WeakPolarHBondContact CG1-O 3.3Å; V724-K742 WeakPolarHBondContact O-CD 3.41Å
725	I	68.6	Low	71.1	Confident	88 Å²	88	77.2 Å²	77.2	45%	0.451	41%	0.405	S	S	.	.	H	α-helix	trans	-83.4	-40.2	170.5	-57.4	178.9	0	0	0	110.3	H722 M723 K742	H722-I725 WeakPolarHBondContact O-CA 3.31Å; H722-I725 WeakPolarHBondContact O-CB 3.22Å; H722-I725 WeakPolarHBondContact O-CG1 3.49Å; H722-I725 PolarHBondContact O-N 2.71Å; M723-I725 PolarHBondContact O-N 3.15Å; M723-I725 VanDerWaalsContact O-N 3.11Å; I725-K742 PolarHBondContact O-NZ 3.3Å
726	H	66.5	Low	71	Confident	58 Å²	58	79.8 Å²	79.8	27%	0.269	42%	0.416	S	S	.	.	H	α-helix	trans	-82.7	-32.4	-179	-52.7	-48.8	0	0	0	112.5	E708 C709 H722 M723 D728	E708-H726 WeakPolarHBondContact OE2-CB 3.47Å; E708-H726 IonicContact OE2-CD2 3.86Å; E708-H726 IonicContact OE2-CG 3.66Å; C709-H726 PolarHBondContact SG-CE1 3.32Å; C709-H726 PolarHBondContact SG-NE2 3.45Å; H722-H726 AromaticContact CD2-NE2 3.88Å; H722-H726 AromaticContact CE1-CE1 3.87Å; H722-H726 AromaticContact CE1-NE2 3.37Å; H722-H726 PolarHBondContact CE1-NE2 3.21Å; H722-H726 AromaticContact NE2-CD2 3.94Å; H722-H726 AromaticContact NE2-CE1 3.94Å; H722-H726 AromaticContact NE2-NE2 3.04Å; H722-H726 PolarHBondContact NE2-NE2 3.29Å; M723-H726 PolarHBondContact O-N 2.8Å; M723-H726 VanDerWaalsContact O-N 3.16Å; H726-D728 PolarHBondContact O-N 3.4Å
727	S	65.1	Low	71.3	Confident	50 Å²	50	75.4 Å²	75.4	35%	0.35	40%	0.403	S	S	.	.	S	Bend	trans	-68.6	113.8	164.3	71.6	0	0	0	0	109.6	M723 V724 A729	M723-S727 PolarHBondContact O-N 2.82Å; M723-S727 VanDerWaalsContact O-N 3.15Å; V724-S727 WeakPolarHBondContact CA-OG 3.49Å; S727-A729 PolarHBondContact O-N 3.26Å
728	D	56.8	Low	71.1	Confident	126 Å²	126	73.1 Å²	73.1	67%	0.674	41%	0.408	S	S	*	.			trans	-71.5	-3.5	174.3	-88.1	-48.7	0	0	0	114.5	H726 R730 K742	H726-D728 PolarHBondContact O-N 3.4Å; D728-R730 PolarHBondContact O-N 3.5Å; D728-K742 WeakPolarHBondContact OD1-CE 3.45Å; D728-K742 IonicContact OD1-NZ 2.66Å; D728-K742 PolarHBondContact OD1-NZ 2.91Å
729	A	60.9	Low	71.1	Confident	65 Å²	65	71.8 Å²	71.8	54%	0.537	40%	0.403	S	S	.	.			trans	-53.8	111.9	161.7	0	0	0	0	0	110.6	S727 P731	S727-A729 PolarHBondContact O-N 3.26Å; A729-P731 WeakPolarHBondContact O-CD 3.3Å
730	R	63.4	Low	70.9	Confident	132 Å²	132	72.9 Å²	72.9	50%	0.498	41%	0.411	S	S	.	.			trans	-97.3	93.7	174.1	-62.1	178	179.1	-159.1	5.2	108.6	D728 F732 N733 T740 K742	D728-R730 PolarHBondContact O-N 3.5Å; R730-F732 VanDerWaalsContact C-N 3.26Å; R730-F732 PolarHBondContact O-N 3.11Å; R730-N733 PolarHBondContact O-OD1 3Å; R730-T740 WeakPolarHBondContact CD-O 3.3Å; R730-T740 WeakPolarHBondContact CD-OG1 3.31Å; R730-T740 PolarHBondContact NH1-O 3.04Å; R730-T740 PolarHBondContact NH1-OG1 3.21Å; R730-K742 HydrophobicContact CG-CG 3.92Å
731	P	66.9	Low	70.9	Confident	80 Å²	80	71.1 Å²	71.1	52%	0.519	40%	0.396	S	S	.	.			trans	-84.6	0.1	-164	-9.7	29.9	0	0	0	113.7	V724 A729	V724-P731 HydrophobicContact CG1-CG 4.4Å; A729-P731 WeakPolarHBondContact O-CD 3.3Å
732	F	69.4	Low	70.8	Confident	71 Å²	71	69.3 Å²	69.3	31%	0.311	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	87	-171.9	-56.5	-72.6	0	0	0	109.6	R730 F741 K744 L747	R730-F732 VanDerWaalsContact C-N 3.26Å; R730-F732 PolarHBondContact O-N 3.11Å; F732-F741 HydrophobicContact CB-CB 4.35Å; F732-F741 WeakPolarHBondContact CB-O 3.47Å; F732-F741 PolarHBondContact N-O 3.42Å; F732-F741 WeakPolarHBondContact O-CB 3.45Å; F732-F741 PolarHBondContact O-N 3.11Å; F732-K744 HydrophobicContact CD1-CB 3.88Å; F732-K744 HydrophobicContact CD1-CG 4.39Å; F732-K744 HydrophobicContact CD2-CB 4.44Å; F732-K744 VanDerWaalsContact CD2-N 3.28Å; F732-K744 HydrophobicContact CE1-CB 3.79Å; F732-K744 HydrophobicContact CE1-CD 4.44Å; F732-K744 HydrophobicContact CE1-CG 4.43Å; F732-K744 HydrophobicContact CE2-CB 4.36Å; F732-K744 HydrophobicContact CG-CB 4.21Å; F732-K744 HydrophobicContact CZ-CB 4.04Å; F732-L747 HydrophobicContact CB-CB 4.13Å; F732-L747 HydrophobicContact CB-CD2 3.82Å
733	N	74.6	Confident	70.5	Confident	102 Å²	102	73.5 Å²	73.5	55%	0.545	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	147.2	175.3	-60.2	-12.2	0	0	0	110.1	R730 T740 L747	R730-N733 PolarHBondContact O-OD1 3Å; N733-T740 HydrophobicContact CB-CG2 4.5Å; N733-T740 VanDerWaalsContact OD1-CG2 3.24Å; N733-T740 WeakPolarHBondContact OD1-CG2 3.4Å; N733-L747 WeakPolarHBondContact O-CD2 3.41Å
734	C	79.9	Confident	70.7	Confident	10 Å²	10	78.1 Å²	78.1	7%	0.068	42%	0.422	C	S	.	.			trans	-73.2	134.2	169.4	-169.8	0	0	0	0	110.3	H736 C737 A739 F741 L747 H750 H755	C734-H736 PolarHBondContact O-N 3.5Å; C734-H736 PolarHBondContact SG-N 3.28Å; C734-H736 VanDerWaalsContact SG-N 3.45Å; C734-C737 WeakPolarHBondContact CB-O 3.4Å; C734-A739 HydrophobicContact CB-CB 4.45Å; C734-A739 WeakPolarHBondContact CB-O 3.45Å; C734-A739 PolarHBondContact N-O 3.42Å; C734-F741 HydrophobicContact CB-CE2 4.38Å; C734-L747 HydrophobicContact CB-CD1 3.88Å; C734-H750 PolarHBondContact SG-NE2 3.49Å; C734-H750 VanDerWaalsContact SG-NE2 3.35Å; C734-H755 VanDerWaalsContact SG-CD2 3.57Å; C734-H755 PolarHBondContact SG-NE2 2.95Å
735	P	75.4	Confident	70.8	Confident	101 Å²	101	79.9 Å²	79.9	66%	0.656	43%	0.43	S	S	*	.	S	Bend	trans	-74.4	-9.9	173.1	29.7	-34	0	0	0	113.1
736	H	73.2	Confident	71.2	Confident	113 Å²	113	81.6 Å²	81.6	52%	0.523	43%	0.434	S	S	.	.	S	Bend	trans	-117.3	-2.5	-174.2	-54.6	-57.7	0	0	0	114.4	C734 H755	C734-H736 PolarHBondContact O-N 3.5Å; C734-H736 PolarHBondContact SG-N 3.28Å; C734-H736 VanDerWaalsContact SG-N 3.45Å; H736-H755 HydrophobicContact CB-CB 4.42Å; H736-H755 VanDerWaalsContact CB-CE1 3.46Å; H736-H755 WeakPolarHBondContact CB-CE1 3.44Å; H736-H755 WeakPolarHBondContact CB-ND1 3.3Å; H736-H755 PolarHBondContact O-CE1 2.59Å
737	C	80.7	Confident	71.8	Confident	52 Å²	52	80 Å²	80	35%	0.351	43%	0.427	S	S	.	.	S	Bend	trans	-161.7	172.6	168.1	68.2	0	0	0	0	111.3	C734 A739 H750 H755	C734-C737 WeakPolarHBondContact CB-O 3.4Å; C737-A739 PolarHBondContact O-N 3.09Å; C737-A739 WeakPolarHBondContact SG-CB 3.45Å; C737-H750 PolarHBondContact SG-NE2 2.68Å; C737-H755 PolarHBondContact SG-NE2 3.09Å; C737-H755 VanDerWaalsContact SG-NE2 3.37Å
738	S	71.9	Confident	72.5	Confident	121 Å²	121	83.5 Å²	83.5	85%	0.846	44%	0.436	S	S	*	.	S	Bend	trans	-70.6	5.9	178.6	53.9	0	0	0	0	115.2	T740	S738-T740 PolarHBondContact O-N 3.26Å
739	A	75.5	Confident	73.6	Confident	30 Å²	30	83.3 Å²	83.3	25%	0.248	43%	0.427	C	S	.	.			trans	-70	123.3	-179.7	0	0	0	0	0	111.9	C734 C737 F741	C734-A739 HydrophobicContact CB-CB 4.45Å; C734-A739 WeakPolarHBondContact CB-O 3.45Å; C734-A739 PolarHBondContact N-O 3.42Å; C737-A739 PolarHBondContact O-N 3.09Å; C737-A739 WeakPolarHBondContact SG-CB 3.45Å; A739-F741 HydrophobicContact CB-CE2 3.57Å; A739-F741 HydrophobicContact CB-CZ 3.69Å; A739-F741 WeakPolarHBondContact O-CE2 3.41Å
740	T	74.3	Confident	74.5	Confident	47 Å²	47	81.4 Å²	81.4	29%	0.288	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	129.1	-175.6	54.1	0	0	0	0	111	R730 N733 S738	R730-T740 WeakPolarHBondContact CD-O 3.3Å; R730-T740 WeakPolarHBondContact CD-OG1 3.31Å; R730-T740 PolarHBondContact NH1-O 3.04Å; R730-T740 PolarHBondContact NH1-OG1 3.21Å; N733-T740 HydrophobicContact CB-CG2 4.5Å; N733-T740 VanDerWaalsContact OD1-CG2 3.24Å; N733-T740 WeakPolarHBondContact OD1-CG2 3.4Å; S738-T740 PolarHBondContact O-N 3.26Å
741	F	75.4	Confident	75.4	Confident	45 Å²	45	76.8 Å²	76.8	20%	0.197	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	137.9	-170.2	-61	-87.1	0	0	0	113.1	F732 C734 A739 R743 K746 L747 H750	F732-F741 HydrophobicContact CB-CB 4.35Å; F732-F741 WeakPolarHBondContact CB-O 3.47Å; F732-F741 PolarHBondContact N-O 3.42Å; F732-F741 WeakPolarHBondContact O-CB 3.45Å; F732-F741 PolarHBondContact O-N 3.11Å; C734-F741 HydrophobicContact CB-CE2 4.38Å; A739-F741 HydrophobicContact CB-CE2 3.57Å; A739-F741 HydrophobicContact CB-CZ 3.69Å; A739-F741 WeakPolarHBondContact O-CE2 3.41Å; F741-R743 PolarHBondContact O-N 2.7Å; F741-K746 HydrophobicContact CD1-CB 4.31Å; F741-L747 HydrophobicContact CB-CB 4.19Å; F741-L747 HydrophobicContact CD2-CB 3.95Å; F741-L747 HydrophobicContact CD2-CD1 3.84Å; F741-L747 HydrophobicContact CD2-CG 4.48Å; F741-L747 HydrophobicContact CE2-CD1 4.06Å; F741-L747 HydrophobicContact CG-CB 4.18Å; F741-H750 HydrophobicContact CE1-CB 3.97Å; F741-H750 HydrophobicContact CE2-CB 4.05Å; F741-H750 AromaticContact CE2-CD2 3.34Å; F741-H750 WeakPolarHBondContact CE2-CD2 3.37Å; F741-H750 AromaticContact CE2-CG 3.72Å; F741-H750 AromaticContact CE2-NE2 3.93Å; F741-H750 HydrophobicContact CZ-CB 3.49Å; F741-H750 VanDerWaalsContact CZ-CB 3.49Å; F741-H750 AromaticContact CZ-CD2 3.42Å; F741-H750 VanDerWaalsContact CZ-CD2 3.42Å; F741-H750 WeakPolarHBondContact CZ-CD2 3.49Å; F741-H750 AromaticContact CZ-CG 3.28Å; F741-H750 AromaticContact CZ-ND1 3.82Å; F741-H750 AromaticContact CZ-NE2 3.99Å
742	K	67.4	Low	75.9	Confident	58 Å²	58	75.8 Å²	75.8	25%	0.252	38%	0.383	S	S	.	.	S	Bend	trans	-71.4	-10	171.6	-68.6	-174.3	164.4	-176.2	0	113.6	V724 I725 D728 R730	V724-K742 HydrophobicContact CG1-CB 4.47Å; V724-K742 VanDerWaalsContact CG1-O 3.24Å; V724-K742 WeakPolarHBondContact CG1-O 3.3Å; V724-K742 WeakPolarHBondContact O-CD 3.41Å; I725-K742 PolarHBondContact O-NZ 3.3Å; D728-K742 WeakPolarHBondContact OD1-CE 3.45Å; D728-K742 IonicContact OD1-NZ 2.66Å; D728-K742 PolarHBondContact OD1-NZ 2.91Å; R730-K742 HydrophobicContact CG-CG 3.92Å
743	R	69.3	Low	76.2	Confident	108 Å²	108	77.6 Å²	77.6	41%	0.408	39%	0.392	S	S	.	.			trans	-145.7	131.6	-178.5	-73.8	176.2	61.8	167.1	-8	113.7	F741 D745 K746 L747	F741-R743 PolarHBondContact O-N 2.7Å; R743-D745 IonicContact CZ-OD2 2.63Å; R743-D745 VanDerWaalsContact CZ-OD2 3.25Å; R743-D745 IonicContact NE-OD2 3.47Å; R743-D745 PolarHBondContact NE-OD2 2.91Å; R743-D745 IonicContact NH2-OD2 2.65Å; R743-D745 PolarHBondContact NH2-OD2 3.21Å; R743-D745 PolarHBondContact O-N 3.39Å; R743-K746 PolarHBondContact O-N 3.34Å; R743-L747 PolarHBondContact O-N 3.09Å
744	K	74.9	Confident	76.2	Confident	146 Å²	146	77 Å²	77	64%	0.635	39%	0.392	S	S	*	.	H	α-helix	trans	-52.3	-38.6	171.8	-171.2	169.2	-177.6	171.1	0	113.3	F732 K746 L747 K748	F732-K744 HydrophobicContact CD1-CB 3.88Å; F732-K744 HydrophobicContact CD1-CG 4.39Å; F732-K744 HydrophobicContact CD2-CB 4.44Å; F732-K744 VanDerWaalsContact CD2-N 3.28Å; F732-K744 HydrophobicContact CE1-CB 3.79Å; F732-K744 HydrophobicContact CE1-CD 4.44Å; F732-K744 HydrophobicContact CE1-CG 4.43Å; F732-K744 HydrophobicContact CE2-CB 4.36Å; F732-K744 HydrophobicContact CG-CB 4.21Å; F732-K744 HydrophobicContact CZ-CB 4.04Å; K744-K746 PolarHBondContact O-N 3.02Å; K744-L747 PolarHBondContact O-N 2.8Å; K744-K748 PolarHBondContact O-N 2.83Å
745	D	75.9	Confident	76	Confident	74 Å²	74	78.5 Å²	78.5	40%	0.396	40%	0.399	S	S	.	.	H	α-helix	trans	-58.7	-33.9	178	-33.2	-44.1	0	0	0	112.3	K721 R743 Y749	K721-D745 VanDerWaalsContact NZ-CG 3.31Å; K721-D745 IonicContact NZ-OD1 2.74Å; K721-D745 PolarHBondContact NZ-OD1 2.82Å; K721-D745 IonicContact NZ-OD2 3.46Å; K721-D745 PolarHBondContact NZ-OD2 3.43Å; R743-D745 IonicContact CZ-OD2 2.63Å; R743-D745 VanDerWaalsContact CZ-OD2 3.25Å; R743-D745 IonicContact NE-OD2 3.47Å; R743-D745 PolarHBondContact NE-OD2 2.91Å; R743-D745 IonicContact NH2-OD2 2.65Å; R743-D745 PolarHBondContact NH2-OD2 3.21Å; R743-D745 PolarHBondContact O-N 3.39Å; D745-Y749 PolarHBondContact O-N 3.14Å
746	K	76.8	Confident	75.5	Confident	124 Å²	124	76.8 Å²	76.8	54%	0.539	39%	0.389	S	S	.	.	H	α-helix	trans	-90.5	-30.7	179.5	-77.9	-67.5	-172.6	178	0	113.1	F741 R743 K744 K748 Y749 H750	F741-K746 HydrophobicContact CD1-CB 4.31Å; R743-K746 PolarHBondContact O-N 3.34Å; K744-K746 PolarHBondContact O-N 3.02Å; K746-K748 VanDerWaalsContact C-N 3.34Å; K746-Y749 PolarHBondContact O-N 3.42Å; K746-H750 WeakPolarHBondContact O-CB 3.36Å; K746-H750 PolarHBondContact O-N 3.4Å
747	L	80.3	Confident	74.6	Confident	25 Å²	25	75.4 Å²	75.4	13%	0.131	40%	0.397	C	S	.	.	H	α-helix	trans	-57.9	-47.7	165	169.4	60.3	0	0	0	110.6	F732 N733 C734 F741 R743 K744 Y749 H750 V751	F732-L747 HydrophobicContact CB-CB 4.13Å; F732-L747 HydrophobicContact CB-CD2 3.82Å; N733-L747 WeakPolarHBondContact O-CD2 3.41Å; C734-L747 HydrophobicContact CB-CD1 3.88Å; F741-L747 HydrophobicContact CB-CB 4.19Å; F741-L747 HydrophobicContact CD2-CB 3.95Å; F741-L747 HydrophobicContact CD2-CD1 3.84Å; F741-L747 HydrophobicContact CD2-CG 4.48Å; F741-L747 HydrophobicContact CE2-CD1 4.06Å; F741-L747 HydrophobicContact CG-CB 4.18Å; R743-L747 PolarHBondContact O-N 3.09Å; K744-L747 PolarHBondContact O-N 2.8Å; L747-Y749 PolarHBondContact O-N 3.38Å; L747-H750 PolarHBondContact O-N 3.32Å; L747-V751 HydrophobicContact CD1-CG2 3.84Å; L747-V751 HydrophobicContact CG-CG2 4.48Å; L747-V751 WeakPolarHBondContact O-CG2 3.2Å; L747-V751 PolarHBondContact O-N 3.16Å
748	K	78.6	Confident	73.2	Confident	123 Å²	123	83.9 Å²	83.9	54%	0.535	42%	0.421	S	S	.	.	H	α-helix	trans	-59.5	-50.4	179	-159.4	-159.4	178.5	-68.8	0	110.7	K744 K746 H750 V751 D752	K744-K748 PolarHBondContact O-N 2.83Å; K746-K748 VanDerWaalsContact C-N 3.34Å; K748-H750 VanDerWaalsContact C-N 3.28Å; K748-H750 PolarHBondContact O-N 2.82Å; K748-V751 PolarHBondContact O-N 3.01Å; K748-V751 VanDerWaalsContact O-N 3.14Å; K748-D752 WeakPolarHBondContact CG-OD2 3.35Å; K748-D752 IonicContact NZ-OD1 3.53Å; K748-D752 PolarHBondContact NZ-OD1 3.19Å; K748-D752 IonicContact NZ-OD2 3.25Å; K748-D752 PolarHBondContact NZ-OD2 3.28Å; K748-D752 VanDerWaalsContact O-CB 3.25Å; K748-D752 WeakPolarHBondContact O-CB 3.43Å; K748-D752 PolarHBondContact O-N 2.87Å
749	Y	80.8	Confident	71.7	Confident	123 Å²	123	86 Å²	86	48%	0.482	42%	0.415	S	S	.	.	H	α-helix	trans	-55.1	-41.1	176.3	-175.4	-95	0	0	0	113.1	D745 K746 L747 H753	D745-Y749 PolarHBondContact O-N 3.14Å; K746-Y749 PolarHBondContact O-N 3.42Å; L747-Y749 PolarHBondContact O-N 3.38Å; Y749-H753 AromaticContact CD2-CE1 3.94Å; Y749-H753 AromaticContact CD2-NE2 3.97Å; Y749-H753 AromaticContact CE1-CD2 3.98Å; Y749-H753 AromaticContact CE2-CD2 3.53Å; Y749-H753 AromaticContact CE2-CE1 3.55Å; Y749-H753 AromaticContact CE2-NE2 3.14Å; Y749-H753 WeakPolarHBondContact CE2-NE2 3.3Å; Y749-H753 AromaticContact CZ-CD2 3.29Å; Y749-H753 AromaticContact CZ-CG 3.97Å; Y749-H753 AromaticContact CZ-NE2 3.41Å; Y749-H753 WeakPolarHBondContact O-CB 3.35Å; Y749-H753 PolarHBondContact O-N 3.38Å; Y749-H753 VanDerWaalsContact O-N 3.12Å; Y749-H753 PolarHBondContact OH-CD2 2.98Å; Y749-H753 PolarHBondContact OH-NE2 3.14Å
750	H	80.1	Confident	69.8	Low	25 Å²	25	91 Å²	91	12%	0.116	44%	0.443	C	S	.	.	H	α-helix	trans	-66.2	-44.7	176	162.2	73.7	0	0	0	112.7	C734 C737 F741 K746 L747 K748 H753 V754 H755	C734-H750 PolarHBondContact SG-NE2 3.49Å; C734-H750 VanDerWaalsContact SG-NE2 3.35Å; C737-H750 PolarHBondContact SG-NE2 2.68Å; F741-H750 HydrophobicContact CE1-CB 3.97Å; F741-H750 HydrophobicContact CE2-CB 4.05Å; F741-H750 AromaticContact CE2-CD2 3.34Å; F741-H750 WeakPolarHBondContact CE2-CD2 3.37Å; F741-H750 AromaticContact CE2-CG 3.72Å; F741-H750 AromaticContact CE2-NE2 3.93Å; F741-H750 HydrophobicContact CZ-CB 3.49Å; F741-H750 VanDerWaalsContact CZ-CB 3.49Å; F741-H750 AromaticContact CZ-CD2 3.42Å; F741-H750 VanDerWaalsContact CZ-CD2 3.42Å; F741-H750 WeakPolarHBondContact CZ-CD2 3.49Å; F741-H750 AromaticContact CZ-CG 3.28Å; F741-H750 AromaticContact CZ-ND1 3.82Å; F741-H750 AromaticContact CZ-NE2 3.99Å; K746-H750 WeakPolarHBondContact O-CB 3.36Å; K746-H750 PolarHBondContact O-N 3.4Å; L747-H750 PolarHBondContact O-N 3.32Å; K748-H750 VanDerWaalsContact C-N 3.28Å; K748-H750 PolarHBondContact O-N 2.82Å; H750-H753 PolarHBondContact O-N 3.12Å; H750-V754 WeakPolarHBondContact ND1-CG2 3.25Å; H750-V754 WeakPolarHBondContact O-CA 3.5Å; H750-V754 VanDerWaalsContact O-CB 3.24Å; H750-V754 WeakPolarHBondContact O-CB 3.38Å; H750-V754 WeakPolarHBondContact O-CG2 3.48Å; H750-V754 PolarHBondContact O-N 2.76Å; H750-H755 AromaticContact CE1-NE2 3.7Å; H750-H755 AromaticContact NE2-CD2 3.67Å; H750-H755 AromaticContact NE2-NE2 3.37Å; H750-H755 PolarHBondContact NE2-NE2 3.03Å
751	V	81.1	Confident	67.7	Low	34 Å²	34	96.5 Å²	96.5	21%	0.206	47%	0.466	C	S	.	.	I	π-helix	trans	-61.4	-49.4	173.8	174.3	0	0	0	0	110.3	L747 K748 H753 H755 S756	L747-V751 HydrophobicContact CD1-CG2 3.84Å; L747-V751 HydrophobicContact CG-CG2 4.48Å; L747-V751 WeakPolarHBondContact O-CG2 3.2Å; L747-V751 PolarHBondContact O-N 3.16Å; K748-V751 PolarHBondContact O-N 3.01Å; K748-V751 VanDerWaalsContact O-N 3.14Å; V751-H753 PolarHBondContact O-N 2.88Å; V751-H753 VanDerWaalsContact O-N 3.08Å; V751-H755 HydrophobicContact CG1-CB 4.49Å; V751-H755 PolarHBondContact O-N 2.9Å; V751-S756 PolarHBondContact O-N 3.43Å; V751-S756 PolarHBondContact O-OG 3.47Å
752	D	78.7	Confident	65.9	Low	59 Å²	59	99.2 Å²	99.2	32%	0.316	49%	0.488	S	S	.	.	I	π-helix	trans	-60.7	-16.5	-179.4	-64.8	-14.9	0	0	0	114.2	K748 S756	K748-D752 WeakPolarHBondContact CG-OD2 3.35Å; K748-D752 IonicContact NZ-OD1 3.53Å; K748-D752 PolarHBondContact NZ-OD1 3.19Å; K748-D752 IonicContact NZ-OD2 3.25Å; K748-D752 PolarHBondContact NZ-OD2 3.28Å; K748-D752 VanDerWaalsContact O-CB 3.25Å; K748-D752 WeakPolarHBondContact O-CB 3.43Å; K748-D752 PolarHBondContact O-N 2.87Å; D752-S756 WeakPolarHBondContact CA-OG 3.42Å; D752-S756 WeakPolarHBondContact O-CB 3.45Å; D752-S756 PolarHBondContact O-OG 3.03Å
753	H	75.2	Confident	64.4	Low	109 Å²	109	102 Å²	102	51%	0.505	51%	0.512	S	S	.	.	I	π-helix	trans	-127.1	-25.3	-174.4	-71.6	35.3	0	0	0	114.4	Y749 H750 V751	Y749-H753 AromaticContact CD2-CE1 3.94Å; Y749-H753 AromaticContact CD2-NE2 3.97Å; Y749-H753 AromaticContact CE1-CD2 3.98Å; Y749-H753 AromaticContact CE2-CD2 3.53Å; Y749-H753 AromaticContact CE2-CE1 3.55Å; Y749-H753 AromaticContact CE2-NE2 3.14Å; Y749-H753 WeakPolarHBondContact CE2-NE2 3.3Å; Y749-H753 AromaticContact CZ-CD2 3.29Å; Y749-H753 AromaticContact CZ-CG 3.97Å; Y749-H753 AromaticContact CZ-NE2 3.41Å; Y749-H753 WeakPolarHBondContact O-CB 3.35Å; Y749-H753 PolarHBondContact O-N 3.38Å; Y749-H753 VanDerWaalsContact O-N 3.12Å; Y749-H753 PolarHBondContact OH-CD2 2.98Å; Y749-H753 PolarHBondContact OH-NE2 3.14Å; H750-H753 PolarHBondContact O-N 3.12Å; V751-H753 PolarHBondContact O-N 2.88Å; V751-H753 VanDerWaalsContact O-N 3.08Å
754	V	74.5	Confident	62.7	Low	90 Å²	90	103.2 Å²	103.2	55%	0.545	53%	0.534	S	S	.	.	I	π-helix	trans	-103.4	-26.3	179.7	-174.9	0	0	0	0	111.8	H750	H750-V754 WeakPolarHBondContact ND1-CG2 3.25Å; H750-V754 WeakPolarHBondContact O-CA 3.5Å; H750-V754 VanDerWaalsContact O-CB 3.24Å; H750-V754 WeakPolarHBondContact O-CB 3.38Å; H750-V754 WeakPolarHBondContact O-CG2 3.48Å; H750-V754 PolarHBondContact O-N 2.76Å
755	H	76.9	Confident	60.7	Low	42 Å²	42	101.8 Å²	101.8	19%	0.194	54%	0.542	C	S	.	.	I	π-helix	trans	-111.7	-27	-178.2	-65.1	-67.6	0	0	0	113.6	C734 H736 C737 H750 V751 A757 R758	C734-H755 VanDerWaalsContact SG-CD2 3.57Å; C734-H755 PolarHBondContact SG-NE2 2.95Å; H736-H755 HydrophobicContact CB-CB 4.42Å; H736-H755 VanDerWaalsContact CB-CE1 3.46Å; H736-H755 WeakPolarHBondContact CB-CE1 3.44Å; H736-H755 WeakPolarHBondContact CB-ND1 3.3Å; H736-H755 PolarHBondContact O-CE1 2.59Å; C737-H755 PolarHBondContact SG-NE2 3.09Å; C737-H755 VanDerWaalsContact SG-NE2 3.37Å; H750-H755 AromaticContact CE1-NE2 3.7Å; H750-H755 AromaticContact NE2-CD2 3.67Å; H750-H755 AromaticContact NE2-NE2 3.37Å; H750-H755 PolarHBondContact NE2-NE2 3.03Å; V751-H755 HydrophobicContact CG1-CB 4.49Å; V751-H755 PolarHBondContact O-N 2.9Å; H755-A757 PolarHBondContact O-N 2.9Å; H755-A757 VanDerWaalsContact O-N 3.16Å; H755-R758 PolarHBondContact O-N 3.44Å
756	S	63.5	Low	58.7	Low	65 Å²	65	107.8 Å²	107.8	46%	0.455	57%	0.568	S	S	.	*	G	3₁₀ helix	trans	-61.4	-19.4	172.6	-65.8	0	0	0	0	114.5	V751 D752 R758 F759	V751-S756 PolarHBondContact O-N 3.43Å; V751-S756 PolarHBondContact O-OG 3.47Å; D752-S756 WeakPolarHBondContact CA-OG 3.42Å; D752-S756 WeakPolarHBondContact O-CB 3.45Å; D752-S756 PolarHBondContact O-OG 3.03Å; S756-R758 PolarHBondContact O-N 3.38Å; S756-R758 VanDerWaalsContact O-N 3.11Å; S756-F759 PolarHBondContact O-N 2.67Å
757	A	54.5	Low	56.4	Low	83 Å²	83	109.3 Å²	109.3	69%	0.686	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-72.7	7.8	175.7	0	0	0	0	0	114.7	H755	H755-A757 PolarHBondContact O-N 2.9Å; H755-A757 VanDerWaalsContact O-N 3.16Å
758	R	52	Low	54	Low	230 Å²	230	117.8 Å²	117.8	87%	0.868	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-126.6	20.3	174.6	-75.1	-163.4	173.7	-155.2	-1.5	114.5	H755 S756	H755-R758 PolarHBondContact O-N 3.44Å; S756-R758 PolarHBondContact O-N 3.38Å; S756-R758 VanDerWaalsContact O-N 3.11Å
759	F	40.7	Very low	51.4	Low	165 Å²	165	116.4 Å²	116.4	72%	0.724	63%	0.629	S	S	*	*			trans	-117.9	70.4	169.9	-84.8	-78.2	0	0	0	111.6	S756	S756-F759 PolarHBondContact O-N 2.67Å
760	T	34.8	Very low	48.9	Very low	136 Å²	136	115.1 Å²	115.1	83%	0.834	64%	0.644	S	S	*	*			trans	-113.9	71.5	159.3	-33.7	0	0	0	0	107.6
761	E	31	Very low	46.9	Very low	163 Å²	163	118.9 Å²	118.9	76%	0.762	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-70.2	133.9	169.4	-80.1	-86	96	0	0	109.1
762	P	36.4	Very low	44.2	Very low	101 Å²	101	123.6 Å²	123.6	66%	0.656	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-72.4	159.5	171.9	31.9	-34.5	0	0	0	111.2
763	P	36	Very low	42.3	Very low	118 Å²	118	126.2 Å²	126.2	77%	0.766	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-71.7	139.1	179.1	29.7	-34.7	0	0	0	111.7	S765	P763-S765 PolarHBondContact O-N 2.69Å
764	P	34.8	Very low	39.9	Very low	133 Å²	133	129.2 Å²	129.2	86%	0.864	73%	0.732	S	S	*	*			trans	-74	112.2	169.3	29.6	-32.1	0	0	0	110.2
765	S	32.1	Very low	37.7	Very low	116 Å²	116	131.4 Å²	131.4	81%	0.811	74%	0.736	S	S	*	*			trans	-78.2	159.2	171.8	53.9	0	0	0	0	112.1	P763	P763-S765 PolarHBondContact O-N 2.69Å
766	Q	33.4	Very low	35.3	Very low	200 Å²	200	136.3 Å²	136.3	94%	0.935	76%	0.759	S	S	*	*			trans	-73.5	162	-178.8	-62.4	166	-6.5	0	0	112.3
767	D	29.2	Very low	33.6	Very low	156 Å²	156	138.3 Å²	138.3	83%	0.834	77%	0.769	S	S	*	*			trans	-127	112.6	179.7	-156.9	-6	0	0	0	111.1
768	K	29.1	Very low	32.3	Very low	202 Å²	202	138.3 Å²	138.3	88%	0.878	76%	0.764	S	S	*	*			trans	173.9	145.4	142.5	-98	165.5	-174.6	-178.9	0	114.2
769	A	25.1	Very low	31.3	Very low	94 Å²	94	135.9 Å²	135.9	78%	0.777	76%	0.759	S	S	*	*			trans	74.8	85.5	161.9	0	0	0	0	0	120
770	A	28.6	Very low	30.7	Very low	96 Å²	96	132.9 Å²	132.9	79%	0.793	76%	0.755	S	S	*	*				42.3	156.3	109.7	0	0	0	0	0	122.2
771	P	37.6	Very low	30.2	Very low	104 Å²	104	135.7 Å²	135.7	68%	0.675	75%	0.752	S	S	*	*			cis	-145.9	145.8	-32.1	37	-18.3	0	0	0	117
772	T	24.4	Very low	29.9	Very low	134 Å²	134	134.9 Å²	134.9	82%	0.822	75%	0.748	S	S	*	*			trans	60.4	172.3	148.8	60	0	0	0	0	119.9
773	P	37.7	Very low	29.4	Very low	113 Å²	113	135.2 Å²	135.2	73%	0.734	75%	0.752	S	S	*	*			cis	-123.2	-159.1	-15.9	38.1	-20	0	0	0	112.9
774	F	25	Very low	28.9	Very low	173 Å²	173	136.8 Å²	136.8	76%	0.759	75%	0.754	S	S	*	*			trans	76.9	133	156.7	-124.5	-118.6	0	0	0	117.5
775	E	29.5	Very low	29.1	Very low	136 Å²	136	135.6 Å²	135.6	64%	0.636	75%	0.747	S	S	*	*			cis	-154.7	-165.4	-15.4	-140.9	-170.6	-164.1	0	0	112.2
776	E	26.1	Very low	28.8	Very low	144 Å²	144	138.5 Å²	138.5	67%	0.673	75%	0.745	S	S	*	*			trans	-30.6	162.6	171.8	-78	-152.4	123.9	0	0	119.4
777	T	26.7	Very low	28.4	Very low	108 Å²	108	136.4 Å²	136.4	66%	0.663	74%	0.739	S	S	*	*			cis	-149.2	159.6	28	-6.9	0	0	0	0	114.4
778	S	28.5	Very low	28.4	Very low	83 Å²	83	133.1 Å²	133.1	58%	0.58	73%	0.733	S	S	*	*			trans	51.4	115.8	145.2	-64.8	0	0	0	0	121.1
779	K	30.3	Very low	28.7	Very low	178 Å²	178	129.8 Å²	129.8	77%	0.774	73%	0.732	S	S	*	*				69.1	136.7	68.3	-65.9	167.6	-179.2	165.5	0	113.3
780	T	27.4	Very low	28.8	Very low	102 Å²	102	136.5 Å²	136.5	63%	0.626	74%	0.737	S	S	*	*			cis	-170.6	144.2	-2.9	18.1	0	0	0	0	110.5
781	Y	25.1	Very low	28.5	Very low	195 Å²	195	137.7 Å²	137.7	77%	0.765	74%	0.74	S	S	*	*			trans	63.6	158.5	141.3	-69.7	-163.7	0	0	0	118.2
782	H	25.7	Very low	27.8	Very low	147 Å²	147	137.6 Å²	137.6	68%	0.681	75%	0.748	S	S	*	*			cis	-157.2	164.7	-14.7	-118.3	-20.4	0	0	0	111
783	S	24.5	Very low	27.9	Very low	107 Å²	107	136.7 Å²	136.7	75%	0.748	75%	0.747	S	S	*	*			trans	53.6	117.7	148	64.5	0	0	0	0	122.8
784	D	25.7	Very low	27.4	Very low	151 Å²	151	138.7 Å²	138.7	81%	0.807	75%	0.752	S	S	*	*			trans	-30.3	164.5	133.7	-93.8	-66.9	0	0	0	115.8
785	P	40	Very low	28.1	Very low	109 Å²	109	136.1 Å²	136.1	71%	0.708	75%	0.753	S	S	*	*			cis	-145.6	-170.7	28	39.5	-18.1	0	0	0	117.8
786	K	24.9	Very low	28	Very low	177 Å²	177	134.6 Å²	134.6	77%	0.77	76%	0.763	S	S	*	*			trans	106.1	123.4	143.9	-88.2	-176.3	170.2	179.7	0	121.1
787	L	25.1	Very low	28.1	Very low	155 Å²	155	134.2 Å²	134.2	81%	0.812	77%	0.771	S	S	*	*			trans	69	125.5	139.8	-64.7	168.5	0	0	0	120.6
788	A	30.3	Very low	28.2	Very low	87 Å²	87	135.9 Å²	135.9	72%	0.719	78%	0.78	S	S	*	*			trans	-82.4	162	153.6	0	0	0	0	0	110.2
789	P	34.6	Very low	28	Very low	132 Å²	132	136.8 Å²	136.8	86%	0.857	79%	0.786	S	S	*	*				-144.5	-170.2	84.7	39.8	-22.9	0	0	0	115
790	R	26.2	Very low	27.7	Very low	235 Å²	235	135.8 Å²	135.8	89%	0.887	79%	0.787	S	S	*	*			trans	-77.8	152	-178.2	-54.1	165.9	172.1	172.9	-5.5	112.5
791	S	23.6	Very low	28.2	Very low	122 Å²	122	136.2 Å²	136.2	85%	0.853	79%	0.792	S	S	*	*				155.8	127.1	94.5	57.6	0	0	0	0	115.7
792	A	23.4	Very low	28.3	Very low	101 Å²	101	133 Å²	133	84%	0.835	79%	0.792	S	S	*	*			trans	-175	148.9	156.3	0	0	0	0	0	107.8
793	S	26.2	Very low	28.3	Very low	115 Å²	115	131.7 Å²	131.7	80%	0.804	80%	0.795	S	S	*	*			cis	-153.9	157.9	-18.8	50.7	0	0	0	0	109.9
794	N	26.9	Very low	28.4	Very low	155 Å²	155	133.7 Å²	133.7	83%	0.829	80%	0.796	S	S	*	*			trans	-66.1	168.5	173	-102.1	-3.1	0	0	0	111.9
795	P	40.4	Very low	28.3	Very low	120 Å²	120	132.5 Å²	132.5	78%	0.779	79%	0.794	S	S	*	*				-154.4	-169.7	51.5	44.6	-22.8	0	0	0	119.5
796	A	27	Very low	27.9	Very low	103 Å²	103	133.1 Å²	133.1	85%	0.851	80%	0.798	S	S	*	*			trans	91	123.8	163.8	0	0	0	0	0	118.5
797	T	28.5	Very low	28.1	Very low	136 Å²	136	131 Å²	131	83%	0.834	80%	0.799	S	S	*	*			trans	-110.7	160.2	-177.6	45.1	0	0	0	0	112
798	V	28.2	Very low	28.7	Very low	143 Å²	143	128.8 Å²	128.8	87%	0.867	80%	0.795	S	S	*	*			trans	170.8	161.2	138.4	150.7	0	0	0	0	109.3
799	C	23.6	Very low	28.4	Very low	103 Å²	103	133.2 Å²	133.2	70%	0.696	80%	0.803	S	S	*	*			trans	-143	143.4	-160.4	-55.9	0	0	0	0	116.1
800	I	23.6	Very low	28	Very low	156 Å²	156	131.4 Å²	131.4	80%	0.8	80%	0.798	S	S	*	*			trans	67	172.4	150.7	-59.5	157.5	0	0	0	114.4
801	P	39.2	Very low	28	Very low	112 Å²	112	125.3 Å²	125.3	73%	0.727	80%	0.799	S	S	*	*			cis	-101.4	-179.2	-29.3	12.8	11.8	0	0	0	112.6
802	V	26.6	Very low	28.1	Very low	126 Å²	126	123.4 Å²	123.4	76%	0.764	80%	0.798	S	S	*	*			cis	94.3	133.8	33.9	-170.5	0	0	0	0	116.5
803	T	25.2	Very low	28.2	Very low	121 Å²	121	122.1 Å²	122.1	74%	0.742	80%	0.795	S	S	*	*			trans	93.5	137.2	156.6	18.1	0	0	0	0	125.7
804	L	26.5	Very low	28.9	Very low	149 Å²	149	123.4 Å²	123.4	78%	0.78	80%	0.801	S	S	*	*			trans	71.2	129.2	156.7	-59	166.2	0	0	0	119.1
805	V	23.9	Very low	28.9	Very low	125 Å²	125	119.6 Å²	119.6	76%	0.758	80%	0.797	S	S	*	*			cis	76	128.9	49.2	173.4	0	0	0	0	111.8
806	P	33.3	Very low	28.2	Very low	122 Å²	122	121.3 Å²	121.3	79%	0.792	80%	0.8	S	S	*	*			cis	-137.1	-174.8	29.5	36.5	-14.3	0	0	0	119.2
807	V	28.2	Very low	28.2	Very low	132 Å²	132	124.6 Å²	124.6	80%	0.8	80%	0.802	S	S	*	*			trans	-81.4	144.4	172.7	166.6	0	0	0	0	110.9
808	P	38.5	Very low	28.2	Very low	110 Å²	110	125.7 Å²	125.7	71%	0.714	80%	0.798	S	S	*	*				-161.5	144.9	100.3	40.2	-18.2	0	0	0	121.6
809	M	23.3	Very low	28.9	Very low	180 Å²	180	123.5 Å²	123.5	89%	0.887	79%	0.787	S	S	*	*			trans	67.2	170.9	131.3	-63.5	-67.1	-168.5	0	0	123.4
810	A	26.8	Very low	29.1	Very low	93 Å²	93	125.8 Å²	125.8	77%	0.769	79%	0.787	S	S	*	*			trans	70.7	118.7	-179.5	0	0	0	0	0	115.7
811	A	24.7	Very low	29.3	Very low	108 Å²	108	128.8 Å²	128.8	89%	0.893	79%	0.788	S	S	*	*			cis	86.9	123.4	23.9	0	0	0	0	0	115.3
812	G	26.2	Very low	28.7	Very low	81 Å²	81	127.8 Å²	127.8	84%	0.835	79%	0.789	S	S	*	*			trans	137.3	116.2	179	0	0	0	0	0	113.1
813	G	25	Very low	28.7	Very low	75 Å²	75	126 Å²	126	77%	0.773	79%	0.787	S	S	*	*			trans	-106.4	-150.4	149.5	0	0	0	0	0	108
814	P	41.1	Very low	28.8	Very low	142 Å²	142	125 Å²	125	92%	0.922	79%	0.786	S	S	*	*			cis	-119.2	-163.3	-9	41.5	-27.1	0	0	0	111.1
815	G	26.7	Very low	28.9	Very low	74 Å²	74	125.7 Å²	125.7	76%	0.763	79%	0.789	S	S	*	*			trans	166.3	115.8	165.5	0	0	0	0	0	114.3
816	D	25.3	Very low	29.1	Very low	157 Å²	157	124.5 Å²	124.5	84%	0.84	79%	0.787	S	S	*	*			trans	-74.3	150.4	167.2	-70	-84.4	0	0	0	111.5
817	L	27.7	Very low	28.7	Very low	171 Å²	171	124.9 Å²	124.9	90%	0.895	79%	0.792	S	S	*	*				171.4	143.4	108.9	-88.1	170.9	0	0	0	112.3
818	H	29	Very low	29	Very low	160 Å²	160	127.2 Å²	127.2	74%	0.741	79%	0.794	S	S	*	*			trans	-81.1	163.9	162.9	-140.8	39.8	0	0	0	108.3
819	P	42.5	Very low	28.5	Very low	97 Å²	97	127.4 Å²	127.4	63%	0.63	79%	0.794	S	S	*	*				-160.8	169.5	63.4	44.7	-23.5	0	0	0	119.6
820	H	28.6	Very low	28.7	Very low	151 Å²	151	128.1 Å²	128.1	70%	0.699	80%	0.795	S	S	*	*			trans	64.7	156.6	136.2	-73.9	-13.3	0	0	0	121.6
821	R	27.8	Very low	28.6	Very low	218 Å²	218	128.5 Å²	128.5	82%	0.823	79%	0.792	S	S	*	*			cis	-174	171.3	-10.4	165.8	175.8	-179.2	178.2	0.6	109.7
822	A	26.2	Very low	28.8	Very low	92 Å²	92	129.7 Å²	129.7	76%	0.76	79%	0.787	S	S	*	*			trans	74.8	158.5	164.8	0	0	0	0	0	116.5
823	A	27.4	Very low	28.7	Very low	87 Å²	87	131.9 Å²	131.9	72%	0.719	78%	0.784	S	S	*	*			cis	-173.9	177	-19.1	0	0	0	0	0	108.7
824	S	27.1	Very low	28.8	Very low	102 Å²	102	134.4 Å²	134.4	71%	0.713	78%	0.78	S	S	*	*			cis	-174.4	169.3	-39.5	-79.1	0	0	0	0	108.4
825	L	28.3	Very low	28	Very low	163 Å²	163	133.6 Å²	133.6	85%	0.853	77%	0.772	S	S	*	*			trans	73	137.5	169	-49.6	173	0	0	0	115.4
826	S	27.4	Very low	28.2	Very low	100 Å²	100	137.8 Å²	137.8	70%	0.699	77%	0.772	S	S	*	*			cis	107	131.7	9.5	78	0	0	0	0	115.6
827	S	25.7	Very low	28.2	Very low	130 Å²	130	135.1 Å²	135.1	91%	0.909	77%	0.772	S	S	*	*			trans	-153.4	162.4	161.3	-91.1	0	0	0	0	110.9
828	Q	33.5	Very low	28.3	Very low	180 Å²	180	136.9 Å²	136.9	84%	0.841	78%	0.775	S	S	*	*			trans	-123.5	157.2	-168.2	-65.9	-179.5	-50.5	0	0	114.8
829	T	27.7	Very low	28.2	Very low	115 Å²	115	132.6 Å²	132.6	71%	0.706	78%	0.775	S	S	*	*			trans	19.1	140.5	146.5	60.5	0	0	0	0	122.7
830	H	28.8	Very low	27.6	Very low	195 Å²	195	136.2 Å²	136.2	90%	0.903	78%	0.783	S	S	*	*				-154.4	-179.3	129	-103.5	-70.6	0	0	0	110.4
831	S	24.8	Very low	27.8	Very low	101 Å²	101	136.4 Å²	136.4	71%	0.706	78%	0.784	S	S	*	*			trans	-155.6	-179.1	-155.9	52.5	0	0	0	0	116.2
832	V	29	Very low	27.8	Very low	133 Å²	133	134.5 Å²	134.5	81%	0.806	79%	0.785	S	S	*	*			trans	94.4	148.8	159.4	-153.1	0	0	0	0	119.3
833	V	24.3	Very low	28	Very low	127 Å²	127	136.7 Å²	136.7	77%	0.77	78%	0.779	S	S	*	*			trans	98.9	82.1	159.7	-161.5	0	0	0	0	120.8
834	N	25.9	Very low	28.2	Very low	128 Å²	128	139.8 Å²	139.8	68%	0.684	78%	0.779	S	S	*	*				26.2	139.5	116.9	-165.5	37.4	0	0	0	123.5
835	V	25.3	Very low	28.2	Very low	124 Å²	124	143.2 Å²	143.2	75%	0.752	78%	0.784	S	S	*	*				-177.3	160.1	124.4	145.2	0	0	0	0	111.9
836	Q	29.1	Very low	28.1	Very low	163 Å²	163	141.6 Å²	141.6	76%	0.762	78%	0.776	S	S	*	*			trans	-98	166.9	-163.9	-41.8	114.6	-86.4	0	0	117.1
837	A	26.3	Very low	28.8	Very low	101 Å²	101	143 Å²	143	84%	0.835	78%	0.782	S	S	*	*			trans	-153.4	147.2	136.2	0	0	0	0	0	111.3
838	Q	29.4	Very low	28.8	Very low	207 Å²	207	140.2 Å²	140.2	97%	0.967	78%	0.775	S	S	*	*			trans	-150.8	158.3	-179.8	-91.2	-169.7	-28.7	0	0	112.3
839	G	27.5	Very low	28.6	Very low	71 Å²	71	140.7 Å²	140.7	73%	0.732	77%	0.77	S	S	*	*			trans	142.6	140.3	168.1	0	0	0	0	0	111.9
840	Q	29.4	Very low	28.8	Very low	173 Å²	173	142.3 Å²	142.3	81%	0.808	77%	0.77	S	S	*	*			cis	-143.2	128.4	-0.5	-85.9	172.6	-37.5	0	0	107.8
841	Q	32.9	Very low	29	Very low	155 Å²	155	137 Å²	137	72%	0.724	76%	0.759	S	S	*	*				71	108	87.7	-69.9	177.8	-26.4	0	0	116.2
842	Q	28.5	Very low	29.3	Very low	177 Å²	177	136.3 Å²	136.3	83%	0.827	76%	0.76	S	S	*	*				-173.4	128.2	105.5	-91.8	179.5	-16.3	0	0	107.5
843	E	29	Very low	29.3	Very low	139 Å²	139	135.9 Å²	135.9	65%	0.65	76%	0.758	S	S	*	*				79.8	132.4	61.5	-74.3	-165	81.8	0	0	113.7
844	Q	31.8	Very low	29.6	Very low	151 Å²	151	136.2 Å²	136.2	71%	0.706	76%	0.755	S	S	*	*			cis	-161.1	-174.1	-4.5	-141	-166.2	71.5	0	0	112.3
845	Q	27.6	Very low	30	Very low	175 Å²	175	137.3 Å²	137.3	82%	0.818	76%	0.76	S	S	*	*			trans	81.2	86.6	166.3	-56.3	-169.8	21.7	0	0	119.6
846	N	25.6	Very low	30.2	Very low	128 Å²	128	135.3 Å²	135.3	68%	0.684	76%	0.757	S	S	*	*			trans	-80.1	158.4	140.1	-154.6	-6.6	0	0	0	107.5	G848	N846-G848 PolarHBondContact OD1-N 2.98Å
847	P	43.1	Very low	30.1	Very low	129 Å²	129	137.1 Å²	137.1	84%	0.838	76%	0.762	S	S	*	*				-144.3	162	79.9	38.2	-21.5	0	0	0	115
848	G	24.5	Very low	30.4	Very low	73 Å²	73	139.7 Å²	139.7	75%	0.753	76%	0.762	S	S	*	*			trans	170	9.6	176.2	0	0	0	0	0	118	N846	N846-G848 PolarHBondContact OD1-N 2.98Å
849	Y	29.9	Very low	30.4	Very low	189 Å²	189	137 Å²	137	74%	0.741	75%	0.749	S	S	*	*			trans	-53.5	162.8	167.3	-99.8	-32.3	0	0	0	112.5
850	Q	33	Very low	30.6	Very low	150 Å²	150	140.7 Å²	140.7	70%	0.701	75%	0.745	S	S	*	*			cis	-152.2	-172.6	5.4	-140.9	146	3.8	0	0	107
851	A	31.2	Very low	30.7	Very low	82 Å²	82	142.5 Å²	142.5	68%	0.678	75%	0.746	S	S	*	*			cis	-151.5	-173.2	9.3	0	0	0	0	0	107.8
852	A	31.1	Very low	30.6	Very low	87 Å²	87	140.6 Å²	140.6	72%	0.719	75%	0.745	S	S	*	*			cis	65.7	147.3	23.1	0	0	0	0	0	114.4
853	T	30.8	Very low	30.7	Very low	124 Å²	124	140 Å²	140	76%	0.761	75%	0.746	S	S	*	*			cis	-147.5	146.4	5.2	13.4	0	0	0	0	105.3
854	D	30.1	Very low	30.8	Very low	135 Å²	135	139.9 Å²	139.9	72%	0.722	76%	0.755	S	S	*	*			cis	70.8	141.5	44.5	-160.5	22.9	0	0	0	115
855	L	33.3	Very low	31.1	Very low	150 Å²	150	138.9 Å²	138.9	79%	0.785	76%	0.762	S	S	*	*			trans	69.3	152.3	-177.3	-47.7	-178.6	0	0	0	115.2
856	A	29.3	Very low	31.2	Very low	83 Å²	83	139.2 Å²	139.2	69%	0.686	76%	0.764	S	S	*	*			cis	-150.5	-178.1	20.7	0	0	0	0	0	115.6
857	F	28.6	Very low	31.6	Very low	200 Å²	200	139.2 Å²	139.2	88%	0.877	77%	0.77	S	S	*	*			trans	94.4	131.1	164.1	-89.9	-90.2	0	0	0	120.9
858	L	32.1	Very low	31	Very low	156 Å²	156	137.5 Å²	137.5	82%	0.817	77%	0.767	S	S	*	*			trans	-86.1	150.6	-179.5	-69.6	59.9	0	0	0	110.1
859	E	29.8	Very low	31.2	Very low	150 Å²	150	141.5 Å²	141.5	70%	0.701	77%	0.771	S	S	*	*				-168.4	164.4	120.8	-118.9	-162.4	126.1	0	0	115.3
860	K	30.5	Very low	31.3	Very low	148 Å²	148	140.6 Å²	140.6	64%	0.643	78%	0.778	S	S	*	*			trans	72.9	96.1	150.1	-72.4	159.6	174.8	138.2	0	121.1
861	Y	31.2	Very low	31	Very low	211 Å²	211	140.7 Å²	140.7	83%	0.827	78%	0.781	S	S	*	*			trans	75.9	134.7	132.6	-72.7	-79.5	0	0	0	123.3
862	T	32	Very low	31	Very low	115 Å²	115	144.3 Å²	144.3	71%	0.706	78%	0.784	S	S	*	*			trans	-70.5	154.6	161.4	45.6	0	0	0	0	112.2
863	L	29.8	Very low	31.2	Very low	164 Å²	164	145.9 Å²	145.9	86%	0.859	79%	0.787	S	S	*	*				156.6	132.1	127.5	-84.1	164.5	0	0	0	111.2
864	T	31.9	Very low	31.1	Very low	137 Å²	137	145.4 Å²	145.4	84%	0.84	78%	0.783	S	S	*	*			trans	-135.1	133.6	159.9	42.8	0	0	0	0	109.4
865	P	37.3	Very low	31.2	Very low	130 Å²	130	150 Å²	150	84%	0.844	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-86.9	166.1	-169.6	34.1	-36.5	0	0	0	114.3
866	Q	29.6	Very low	31.6	Very low	183 Å²	183	147.6 Å²	147.6	86%	0.855	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-82.7	152.9	176.9	-57.1	-176.2	24.4	0	0	112.4
867	P	35.5	Very low	31.5	Very low	127 Å²	127	149.9 Å²	149.9	83%	0.825	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-72.1	127.1	159.9	30.9	-32.1	0	0	0	110.2
868	A	30	Very low	31.4	Very low	94 Å²	94	147.6 Å²	147.6	78%	0.777	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-78.8	156.7	-179.1	0	0	0	0	0	113.1
869	N	28.5	Very low	31.2	Very low	156 Å²	156	148.4 Å²	148.4	83%	0.834	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-72.3	135.7	169.4	-60.4	-81.1	0	0	0	110.2
870	I	31.6	Very low	31.2	Very low	170 Å²	170	149.3 Å²	149.3	87%	0.872	79%	0.787	S	S	*	*			trans	-120.1	143.7	159.2	-64.5	-179.9	0	0	0	108
871	I	27.1	Very low	31	Very low	152 Å²	152	149.1 Å²	149.1	78%	0.779	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-99.9	143.2	-157	-66.7	167	0	0	0	111.5	P873	I871-P873 WeakPolarHBondContact O-CD 3.23Å
872	H	31.1	Very low	31.3	Very low	159 Å²	159	144.9 Å²	144.9	74%	0.736	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-66	129.3	174.1	-131.1	-64.9	0	0	0	111.9	V874	H872-V874 HydrophobicContact CB-CG2 4.16Å
873	P	34.3	Very low	31.3	Very low	119 Å²	119	150.2 Å²	150.2	77%	0.773	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-71.2	138.4	148.9	-14.4	30.8	0	0	0	109.3	I871	I871-P873 WeakPolarHBondContact O-CD 3.23Å
874	V	30.3	Very low	31.4	Very low	114 Å²	114	151.8 Å²	151.8	69%	0.691	80%	0.802	S	S	*	*			trans	-144.5	139.2	173.6	179.3	0	0	0	0	108.4	H872	H872-V874 HydrophobicContact CB-CG2 4.16Å
875	R	30.7	Very low	31.5	Very low	233 Å²	233	154.9 Å²	154.9	88%	0.879	81%	0.806	S	S	*	*			trans	128.5	155.9	159.2	-77	177.2	-178.6	-154.1	1.8	112.6
876	P	42.8	Very low	31.6	Very low	99 Å²	99	153.7 Å²	153.7	64%	0.643	80%	0.802	S	S	*	*			cis	-134.9	-162.9	-38.6	39.5	-22.7	0	0	0	111.1
877	D	26.3	Very low	31.7	Very low	130 Å²	130	154.9 Å²	154.9	70%	0.695	80%	0.8	S	S	*	*			trans	69.4	147.9	161.7	-69.9	6.8	0	0	0	117.7
878	Q	27.6	Very low	31.6	Very low	152 Å²	152	156.5 Å²	156.5	71%	0.71	80%	0.801	S	S	*	*			cis	-147.4	145.1	0.9	-130	164.4	49	0	0	113
879	M	27	Very low	31.8	Very low	174 Å²	174	155 Å²	155	86%	0.857	80%	0.795	S	S	*	*			trans	61.8	142.4	154.1	-73.6	171.1	69.6	0	0	122.7
880	L	29.5	Very low	32.2	Very low	168 Å²	168	153 Å²	153	88%	0.88	79%	0.788	S	S	*	*			trans	-92.9	150.9	170.7	-65.3	152.7	0	0	0	110.2
881	D	26.8	Very low	32.3	Very low	144 Å²	144	151.8 Å²	151.8	77%	0.77	78%	0.783	S	S	*	*			trans	-127	112.6	153.8	-165.8	-22.9	0	0	0	109.5	R883	D881-R883 PolarHBondContact O-N 2.87Å
882	P	37.6	Very low	32.9	Very low	123 Å²	123	152 Å²	152	80%	0.799	78%	0.784	S	S	*	*			trans	-89.3	79.4	-166	35.2	-36.6	0	0	0	113.4
883	R	32.1	Very low	33.2	Very low	226 Å²	226	148.2 Å²	148.2	85%	0.853	79%	0.788	S	S	*	*			trans	-134.9	56.2	-177.7	-152.3	179.6	-173.4	175.2	3.4	117.6	D881	D881-R883 PolarHBondContact O-N 2.87Å
884	E	32	Very low	33.3	Very low	197 Å²	197	149.8 Å²	149.8	92%	0.921	79%	0.79	S	S	*	*			trans	-160.4	70.4	152.3	-120	171.1	-135.1	0	0	114.2
885	Q	33.3	Very low	33.3	Very low	202 Å²	202	152.7 Å²	152.7	94%	0.944	80%	0.801	S	S	*	*			trans	-126.7	64.5	168	-74.6	-161.7	10.3	0	0	113.1
886	S	39	Very low	33.4	Very low	106 Å²	106	147.2 Å²	147.2	74%	0.741	80%	0.798	S	S	*	*			trans	-162.8	106.3	156.7	-172.1	0	0	0	0	112.3
887	Y	33.3	Very low	32.9	Very low	207 Å²	207	146.8 Å²	146.8	81%	0.812	80%	0.803	S	S	*	*	S	Bend	trans	-161.5	39.4	149.2	-123.5	-74	0	0	0	113.5
888	L	31.9	Very low	33.2	Very low	162 Å²	162	145.8 Å²	145.8	85%	0.848	81%	0.807	S	S	*	*	S	Bend	trans	-121.6	8.1	178.2	-106	170.5	0	0	0	114.5
889	G	36	Very low	33.2	Very low	63 Å²	63	144 Å²	144	65%	0.649	81%	0.811	S	S	*	*	S	Bend	trans	-86.3	-37.3	174.6	0	0	0	0	0	114.2	L891	G889-L891 PolarHBondContact O-N 2.61Å
890	T	36.2	Very low	33.4	Very low	114 Å²	114	141.6 Å²	141.6	70%	0.699	81%	0.806	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	18.3	-166.8	-21	0	0	0	0	115.7
891	L	34	Very low	33.4	Very low	144 Å²	144	142.1 Å²	142.1	75%	0.754	80%	0.804	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.2	9	-169.7	-123.1	170.5	0	0	0	114.4	G889	G889-L891 PolarHBondContact O-N 2.61Å
892	L	38.8	Very low	33.4	Very low	155 Å²	155	140.6 Å²	140.6	81%	0.812	80%	0.8	S	S	*	*	S	Bend	trans	-130.2	-5.8	178.8	-74.1	176.5	0	0	0	116.2	L894	L892-L894 VanDerWaalsContact C-N 3.34Å; L892-L894 PolarHBondContact O-N 3.39Å
893	G	36.8	Very low	33.1	Very low	80 Å²	80	141.6 Å²	141.6	83%	0.825	80%	0.797	S	S	*	*			trans	59.8	34.1	161.3	0	0	0	0	0	116.6
894	L	37.5	Very low	32.8	Very low	153 Å²	153	136.6 Å²	136.6	80%	0.801	80%	0.797	S	S	*	*			trans	-114.6	107.2	171.4	-65.3	177.5	0	0	0	109	L892	L892-L894 VanDerWaalsContact C-N 3.34Å; L892-L894 PolarHBondContact O-N 3.39Å
895	D	30.1	Very low	32.7	Very low	174 Å²	174	133.8 Å²	133.8	93%	0.93	79%	0.788	S	S	*	*			trans	-167.4	139	145.4	-96.2	-32.8	0	0	0	108.8
896	S	33.1	Very low	32.5	Very low	118 Å²	118	129.8 Å²	129.8	83%	0.825	78%	0.782	S	S	*	*			trans	-128.6	128.3	-171.9	-66.6	0	0	0	0	111.5
897	A	31.6	Very low	32.2	Very low	90 Å²	90	130.6 Å²	130.6	74%	0.744	78%	0.778	S	S	*	*			trans	52.2	98.3	155.2	0	0	0	0	0	119.7
898	S	32.2	Very low	32.2	Very low	110 Å²	110	127.8 Å²	127.8	77%	0.769	77%	0.772	S	S	*	*				51.4	120.4	125.9	62.9	0	0	0	0	122.7
899	S	29.1	Very low	32.1	Very low	115 Å²	115	125.5 Å²	125.5	80%	0.804	77%	0.765	S	S	*	*			trans	-152.4	105.6	139.3	-174.1	0	0	0	0	106.5
900	V	30.3	Very low	32.1	Very low	123 Å²	123	131.2 Å²	131.2	75%	0.745	78%	0.775	S	S	*	*				64.8	93	69.3	-174.7	0	0	0	0	113.4
901	Q	30.4	Very low	32.1	Very low	179 Å²	179	140.9 Å²	140.9	84%	0.836	80%	0.798	S	S	*	*			trans	-158.3	121.1	138.1	-112.7	169.7	12.5	0	0	112.3
902	T	26.5	Very low	32	Very low	112 Å²	112	140.7 Å²	140.7	69%	0.687	80%	0.8	S	S	*	*			trans	24.8	108.3	143.3	52.1	0	0	0	0	118.7
903	I	30.6	Very low	31.7	Very low	144 Å²	144	139.9 Å²	139.9	74%	0.738	80%	0.8	S	S	*	*				70.6	119.5	77.6	-64.4	164.4	0	0	0	114.2
904	S	26.8	Very low	31.4	Very low	121 Å²	121	143.3 Å²	143.3	85%	0.846	80%	0.798	S	S	*	*			trans	-154	137.1	141.2	-78.5	0	0	0	0	108.6
905	N	28.9	Very low	31	Very low	138 Å²	138	142.7 Å²	142.7	74%	0.738	80%	0.798	S	S	*	*			trans	-95.7	146.8	-172.9	-66.9	-15.9	0	0	0	112.1
906	S	30.1	Very low	31.1	Very low	117 Å²	117	140.8 Å²	140.8	82%	0.818	79%	0.79	S	S	*	*			trans	158.7	156.2	133.6	47.7	0	0	0	0	111.6
907	D	31.5	Very low	31	Very low	124 Å²	124	142.3 Å²	142.3	66%	0.663	79%	0.788	S	S	*	*				-155.8	174	-51.7	-139.6	-46.1	0	0	0	109.5
908	H	33.1	Very low	30.9	Very low	148 Å²	148	146 Å²	146	69%	0.685	79%	0.791	S	S	*	*			trans	58.3	114.8	151.1	-75.3	-39.6	0	0	0	122.5
909	T	30.7	Very low	30.8	Very low	114 Å²	114	148.8 Å²	148.8	70%	0.699	79%	0.792	S	S	*	*				91.7	125.1	125.5	60.5	0	0	0	0	122.2
910	H	36.4	Very low	31	Very low	183 Å²	183	151.6 Å²	151.6	85%	0.847	79%	0.791	S	S	*	*			trans	28	116.4	138.9	-66.1	-92.9	0	0	0	119.9
911	R	36.5	Very low	31	Very low	316 Å²	316	154.2 Å²	154.2	100%	1.192	80%	0.796	S	S	*	*				-153.6	0	86.1	-152.7	168.4	-171.1	165.9	4.3	113.3

Retrieved 911 of 911 residues in 238.4 ms (Link to these results)

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