A0A077Z3L6_TRITR Loading...

Spondin-1

AlphaFold DB , UniProt , Accession A0A077Z3L6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 841 aa.

						>A0A077Z3L6_TRITR|A0A077Z3L6
MLVGKAIAAILLTLCFGCFGKRPDCDRRPLKNSNALKSPGNNGFQVIVKPYPLNGSLDEVTGYIPGEKYTIVIQGWKTRFTIQTFRGFTLAALSSNDENEPAGLFQLKEDGDIRWSVDCWHAVTHSSMFPKANVSVIWQAPPHDEGCVTFKAAVLEYPNIWYMDDDELTKKLCIRGIASLIYYNTHKAGYDSPKNLDATEECCSCDEAKYEVIFDGLWSRQTHPRDYPSLEHLTHFSDIIGASHSRRYIMWAYGGYASDGMKELAEWGSTQAYEQEIREQVGVLIQFAQICIRGAYLQASEVRTIIKARGLWYPNVQGITRAMFRVDRYHHLVSLASMLGPSPDWVVGLSSFNLCLKNCSWIDEKTFYLYPFDAGVDSGITYMSPNNPSIPREPIKAITTKSPADPRSPFYNADSDTLPPFAKLTFRKDKVYPSECKDSSEYLLASRASTGETETSEDLENKGKKECTVLNWAPWSLCSATCGKGIRMRTRGYKNPVKAHIMGCSRQMNEKQFCNALLSVCHGSENFNDQCAASPWAQWTECSAKCGQGMRSRVRNYLNPMAIKQCSIQLTENENCTGSAGLECNVVEDPHCQATQWSEWSPCSRSCDEGIRLRTRLLYRPENQESCKHLELLQKESCNLLSCDTFMRTHAAEICSELMERGQCEGTFPRYYFDSGTKTCRRFTYTGCKGNRNNFLVRSKTYAYSLVTEVVHEDNDLNALRDTTTTRDNGTPKDCVVSGWSDWSECTQTCGRGMKERVRTILSPARNGGQPCPVELVEKARCRLRPCSVVCRIGSWSSWSACSASCGTGVQIRQRVAKNPHKQPECPAQQTEKRMCIESNC
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41	Very low	42.3	Very low	241 Å²	241	125.2 Å²	125.2	100%	1.187	73%	0.726	S	S	*	*				0	32.3	0	-69.8	178	163.3	0	0	112.7
2	L	43.9	Very low	42.1	Very low	175 Å²	175	126 Å²	126	92%	0.916	73%	0.725	S	S	*	*			trans	-95.4	8.6	-168.9	-96.7	124.4	0	0	0	115.5
3	V	45	Very low	42.1	Very low	126 Å²	126	124.5 Å²	124.5	76%	0.764	72%	0.72	S	S	*	*	S	Bend	trans	-106.2	-6.9	-173.8	-175	0	0	0	0	113.1
4	G	40.4	Very low	41.9	Very low	68 Å²	68	125.7 Å²	125.7	70%	0.701	72%	0.721	S	S	*	*	S	Bend	trans	-86.4	-12.1	-172.2	0	0	0	0	0	117.2
5	K	41.6	Very low	41.8	Very low	195 Å²	195	123.8 Å²	123.8	85%	0.848	72%	0.717	S	S	*	*	S	Bend	trans	-103.1	-10.2	-172.2	-71.5	-170.5	176.4	-177.2	0	115.5
6	A	43.7	Very low	41.7	Very low	68 Å²	68	126.6 Å²	126.6	56%	0.562	72%	0.718	S	S	*	*	S	Bend	trans	-81.7	-20.5	-179.6	0	0	0	0	0	113.6
7	I	44	Very low	41.1	Very low	120 Å²	120	123.6 Å²	123.6	62%	0.615	72%	0.721	S	S	*	*	H	α-helix	trans	-79.9	-25.5	-176.1	-60.2	176.1	0	0	0	111.9
8	A	42.1	Very low	40.8	Very low	68 Å²	68	122.6 Å²	122.6	56%	0.562	72%	0.721	S	S	*	*	H	α-helix	trans	-76	-25.4	178.7	0	0	0	0	0	113.5
9	A	41.3	Very low	40.6	Very low	64 Å²	64	126.3 Å²	126.3	53%	0.529	73%	0.728	S	S	.	*	H	α-helix	trans	-81.9	-27	-178	0	0	0	0	0	113.3	L11	A9-L11 VanDerWaalsContact C-N 3.33Å
10	I	43.3	Very low	40.3	Very low	116 Å²	116	123 Å²	123	60%	0.595	72%	0.722	S	S	*	*	H	α-helix	trans	-78.6	-20.8	-180	-61.3	175.4	0	0	0	111.7
11	L	39.4	Very low	40.2	Very low	136 Å²	136	127.1 Å²	127.1	71%	0.712	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-17	175.8	-86.5	155	0	0	0	114	A9	A9-L11 VanDerWaalsContact C-N 3.33Å
12	L	39.5	Very low	40.6	Very low	135 Å²	135	124.2 Å²	124.2	71%	0.707	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	-16.6	179.7	-109.8	97.3	0	0	0	114.6
13	T	42.1	Very low	41.1	Very low	107 Å²	107	121.4 Å²	121.4	66%	0.656	70%	0.699	S	S	*	*	S	Bend	trans	-93.8	0.3	-175.3	41.6	0	0	0	0	114.9
14	L	39.4	Very low	42.1	Very low	141 Å²	141	122.2 Å²	122.2	74%	0.738	70%	0.699	S	S	*	*	S	Bend	trans	-104.7	11.5	-177.3	-85.1	161.2	0	0	0	115.9
15	C	40.8	Very low	43.7	Very low	97 Å²	97	120.6 Å²	120.6	66%	0.655	68%	0.677	S	S	*	*			trans	-125.2	13.4	-179.6	-86.9	0	0	0	0	116.5	G17	C15-G17 VanDerWaalsContact C-N 3.25Å; C15-G17 PolarHBondContact O-N 3.37Å
16	F	39.3	Very low	45.6	Very low	169 Å²	169	113 Å²	113	74%	0.741	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-5.3	173.3	-81.8	-81	0	0	0	114.3
17	G	31.4	Very low	47.6	Very low	75 Å²	75	111.1 Å²	111.1	77%	0.773	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	-2.2	-179.2	0	0	0	0	0	116.1	C15	C15-G17 VanDerWaalsContact C-N 3.25Å; C15-G17 PolarHBondContact O-N 3.37Å
18	C	35.8	Very low	49.5	Very low	105 Å²	105	110.4 Å²	110.4	71%	0.709	61%	0.613	S	S	*	*			trans	-105.6	47.2	-174.9	-67.7	0	0	0	0	112.7	G20	C18-G20 PolarHBondContact O-N 3.31Å
19	F	37.7	Very low	50.9	Low	194 Å²	194	107.7 Å²	107.7	85%	0.851	59%	0.59	S	S	*	*			trans	-78.4	51.1	157	-77	-83	0	0	0	109.7
20	G	33.9	Very low	52.3	Low	59 Å²	59	107.6 Å²	107.6	61%	0.608	58%	0.58	S	S	*	*			trans	-68.6	131.6	164.2	0	0	0	0	0	107.6	C18 R22	C18-G20 PolarHBondContact O-N 3.31Å; G20-R22 PolarHBondContact O-N 2.83Å
21	K	39.4	Very low	53.2	Low	210 Å²	210	107.1 Å²	107.1	91%	0.913	57%	0.574	S	S	*	*			trans	-41.6	120.8	170	-74.9	-178.6	175.3	-177.9	0	108.2
22	R	48.5	Very low	54.1	Low	180 Å²	180	108.5 Å²	108.5	68%	0.679	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-48.6	127.2	178.4	-140.5	174.5	-171.8	175.8	2.1	106.8	G20 D24	G20-R22 PolarHBondContact O-N 2.83Å; R22-D24 PolarHBondContact O-N 3.37Å
23	P	54	Low	55.2	Low	116 Å²	116	102.9 Å²	102.9	75%	0.753	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-53.8	131.9	-175.2	18.8	-30	0	0	0	109.5	C25	P23-C25 PolarHBondContact O-N 3.02Å
24	D	65.8	Low	56.4	Low	144 Å²	144	105.9 Å²	105.9	77%	0.77	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-54.6	129.7	179.7	-163.9	5.9	0	0	0	109.5	R22 D26	R22-D24 PolarHBondContact O-N 3.37Å; D24-D26 PolarHBondContact O-N 2.73Å
25	C	74.6	Confident	58	Low	34 Å²	34	100.2 Å²	100.2	23%	0.23	54%	0.539	C	S	.	.			trans	-71.9	95.5	-172.3	164.1	0	0	0	0	109.6	P23 R27 C119	P23-C25 PolarHBondContact O-N 3.02Å; C25-R27 PolarHBondContact O-N 2.99Å; C25-R27 VanDerWaalsContact SG-CG 3.52Å; C25-C119 HydrophobicContact CB-CB 3.96Å; C25-C119 WeakPolarHBondContact CB-SG 3.21Å; C25-C119 WeakPolarHBondContact SG-CB 3.38Å; C25-C119 CovalentContact SG-SG 2.03Å; C25-C119 PolarHBondContact SG-SG 2.88Å
26	D	82.3	Confident	59.9	Low	35 Å²	35	103 Å²	103	19%	0.187	55%	0.547	C	S	.	.			trans	-79.1	109	175.8	-172.9	0.3	0	0	0	110.5	D24 R28 D118	D24-D26 PolarHBondContact O-N 2.73Å; D26-R28 VanDerWaalsContact OD1-CB 3.3Å; D26-R28 WeakPolarHBondContact OD1-CB 3.37Å; D26-R28 VanDerWaalsContact OD1-CG 3.24Å; D26-R28 WeakPolarHBondContact OD1-CG 3.41Å; D26-R28 IonicContact OD1-CZ 2.8Å; D26-R28 PolarHBondContact OD1-N 3.1Å; D26-R28 IonicContact OD1-NE 3.62Å; D26-R28 PolarHBondContact OD1-NE 3.05Å; D26-R28 IonicContact OD1-NH2 2.68Å; D26-R28 IonicContact OD2-CZ 3.61Å; D26-R28 IonicContact OD2-NE 3.44Å; D26-R28 PolarHBondContact OD2-NE 3.32Å; D26-R28 VanDerWaalsContact OD2-NE 3.15Å; D26-R28 IonicContact OD2-NH2 3.85Å; D26-R28 PolarHBondContact OD2-NH2 3.48Å; D26-D118 HydrophobicContact CB-CB 4.49Å
27	R	84.6	Confident	62.1	Low	28 Å²	28	98.8 Å²	98.8	11%	0.106	53%	0.528	C	S	.	.			trans	-93.1	5.4	-179	-64.2	-174	-68.4	113.9	4.9	113.7	C25 T89 K151 A153 M163 D164	C25-R27 PolarHBondContact O-N 2.99Å; C25-R27 VanDerWaalsContact SG-CG 3.52Å; R27-T89 HydrophobicContact CB-CG2 4.05Å; R27-T89 HydrophobicContact CG-CG2 4.3Å; R27-T89 VanDerWaalsContact O-CB 3.23Å; R27-T89 WeakPolarHBondContact O-CB 3.39Å; R27-T89 PolarHBondContact O-OG1 3.48Å; R27-T89 VanDerWaalsContact O-OG1 3.07Å; R27-K151 PolarHBondContact NH1-O 2.9Å; R27-A153 WeakPolarHBondContact O-CB 3.17Å; R27-M163 HydrophobicContact CB-CE 3.85Å; R27-M163 WeakPolarHBondContact O-CE 3.4Å; R27-D164 IonicContact CZ-OD1 3.15Å; R27-D164 IonicContact CZ-OD2 2.65Å; R27-D164 IonicContact NH1-OD1 3.35Å; R27-D164 PolarHBondContact NH1-OD1 2.03Å; R27-D164 IonicContact NH1-OD2 3.82Å; R27-D164 VanDerWaalsContact NH2-CG 3.33Å; R27-D164 IonicContact NH2-OD1 3.9Å; R27-D164 PolarHBondContact NH2-OD1 2.84Å; R27-D164 IonicContact NH2-OD2 2.78Å; R27-D164 PolarHBondContact NH2-OD2 3.15Å
28	R	83.7	Confident	64.7	Low	105 Å²	105	96.3 Å²	96.3	40%	0.396	50%	0.499	S	S	.	.			trans	-64.2	132	-179.2	-68.6	177.3	-64.7	172.5	0.5	110.7	D26 L30 W161 M163	D26-R28 VanDerWaalsContact OD1-CB 3.3Å; D26-R28 WeakPolarHBondContact OD1-CB 3.37Å; D26-R28 VanDerWaalsContact OD1-CG 3.24Å; D26-R28 WeakPolarHBondContact OD1-CG 3.41Å; D26-R28 IonicContact OD1-CZ 2.8Å; D26-R28 PolarHBondContact OD1-N 3.1Å; D26-R28 IonicContact OD1-NE 3.62Å; D26-R28 PolarHBondContact OD1-NE 3.05Å; D26-R28 IonicContact OD1-NH2 2.68Å; D26-R28 IonicContact OD2-CZ 3.61Å; D26-R28 IonicContact OD2-NE 3.44Å; D26-R28 PolarHBondContact OD2-NE 3.32Å; D26-R28 VanDerWaalsContact OD2-NE 3.15Å; D26-R28 IonicContact OD2-NH2 3.85Å; D26-R28 PolarHBondContact OD2-NH2 3.48Å; R28-L30 PolarHBondContact O-N 3.31Å; R28-W161 HydrophobicContact CG-CH2 3.88Å; R28-W161 HydrophobicContact CG-CZ2 4.41Å; R28-W161 HydrophobicContact CG-CZ3 4.25Å; R28-M163 HydrophobicContact CB-CE 4.49Å; R28-M163 HydrophobicContact CG-CE 3.97Å
29	P	71.4	Confident	67.1	Low	11 Å²	11	96.9 Å²	96.9	7%	0.071	50%	0.501	C	S	.	.	S	Bend	trans	-64.2	-24.5	-178.7	-22.3	32.3	0	0	0	114.2	H125 A153 L155	P29-H125 PolarHBondContact O-CE1 3.46Å; P29-A153 HydrophobicContact CG-CB 4.04Å; P29-L155 HydrophobicContact CB-CB 3.65Å; P29-L155 HydrophobicContact CB-CD2 4.48Å; P29-L155 HydrophobicContact CG-CB 3.97Å
30	L	70.6	Confident	69.5	Low	62 Å²	62	88.5 Å²	88.5	33%	0.325	47%	0.47	S	S	.	.			trans	-142.1	124.5	178.8	-86.6	167.8	0	0	0	110.7	R28 M128 L155	R28-L30 PolarHBondContact O-N 3.31Å; L30-M128 HydrophobicContact CD1-CE 3.77Å; L30-M128 HydrophobicContact CD2-CE 3.62Å; L30-M128 HydrophobicContact CG-CE 3.71Å; L30-L155 HydrophobicContact CD1-CD1 3.93Å; L30-L155 HydrophobicContact CD1-CD2 3.27Å; L30-L155 HydrophobicContact CD1-CG 4.24Å; L30-L155 HydrophobicContact CG-CD2 3.89Å
31	K	62.4	Low	71.9	Confident	107 Å²	107	86.9 Å²	86.9	47%	0.465	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-39.3	176.3	-82.6	-176.7	169.6	175.4	0	114.4	S33 D118	K31-S33 PolarHBondContact O-N 2.75Å; K31-S33 VanDerWaalsContact O-N 3.17Å; K31-D118 VanDerWaalsContact CE-OD1 3.28Å; K31-D118 WeakPolarHBondContact CE-OD1 3.08Å; K31-D118 IonicContact NZ-OD1 3.51Å; K31-D118 PolarHBondContact NZ-OD1 3.46Å; K31-D118 IonicContact NZ-OD2 3.15Å
32	N	59.7	Low	74.1	Confident	165 Å²	165	79.8 Å²	79.8	88%	0.882	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	10.2	-173.3	-75.1	0.9	0	0	0	113.9
33	S	60.7	Low	75.7	Confident	17 Å²	17	72.2 Å²	72.2	12%	0.119	40%	0.397	C	S	.	.			trans	-97.3	110.6	175.4	-170.1	0	0	0	0	108.5	K31 A35 P158 N159	K31-S33 PolarHBondContact O-N 2.75Å; K31-S33 VanDerWaalsContact O-N 3.17Å; S33-A35 PolarHBondContact O-N 3.33Å; S33-A35 VanDerWaalsContact O-N 3.08Å; S33-A35 WeakPolarHBondContact OG-CB 3.39Å; S33-A35 PolarHBondContact OG-N 3.39Å; S33-P158 PolarHBondContact OG-O 2.89Å; S33-N159 PolarHBondContact OG-OD1 3.49Å
34	N	68	Low	77.5	Confident	170 Å²	170	66.7 Å²	66.7	91%	0.909	36%	0.361	S	S	*	.			trans	-68.3	6.6	165.4	-73.3	-13.6	0	0	0	111.8	L36	N34-L36 PolarHBondContact O-N 3.26Å
35	A	72.3	Confident	78.7	Confident	21 Å²	21	62.4 Å²	62.4	17%	0.174	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-67.5	124.9	178	0	0	0	0	0	110.6	S33 N159 W161	S33-A35 PolarHBondContact O-N 3.33Å; S33-A35 VanDerWaalsContact O-N 3.08Å; S33-A35 WeakPolarHBondContact OG-CB 3.39Å; S33-A35 PolarHBondContact OG-N 3.39Å; A35-N159 HydrophobicContact CB-CB 3.84Å; A35-N159 WeakPolarHBondContact CB-O 3.1Å; A35-W161 PolarHBondContact O-NE1 3.25Å
36	L	81.3	Confident	79.6	Confident	156 Å²	156	61 Å²	61	82%	0.817	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-63	148	170.6	-67	164.9	0	0	0	110	N34 S38	N34-L36 PolarHBondContact O-N 3.26Å; L36-S38 PolarHBondContact O-N 2.88Å
37	K	85.1	Confident	80	Confident	80 Å²	80	61.1 Å²	61.1	35%	0.348	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-53.6	128.8	172.6	178.6	-173	153.1	-179.6	0	109.3	W161 M163 D165	K37-W161 HydrophobicContact CB-CE3 4.5Å; K37-W161 HydrophobicContact CB-CH2 3.6Å; K37-W161 HydrophobicContact CB-CZ2 3.65Å; K37-W161 HydrophobicContact CB-CZ3 4.04Å; K37-W161 HydrophobicContact CG-CE3 4.37Å; K37-W161 HydrophobicContact CG-CH2 4.08Å; K37-W161 HydrophobicContact CG-CZ2 4.48Å; K37-W161 HydrophobicContact CG-CZ3 4.01Å; K37-M163 HydrophobicContact CD-CB 4.24Å; K37-M163 WeakPolarHBondContact CE-O 3.36Å; K37-M163 PolarHBondContact NZ-O 3.3Å; K37-D165 WeakPolarHBondContact CE-OD2 3.49Å; K37-D165 IonicContact NZ-OD1 3.59Å; K37-D165 PolarHBondContact NZ-OD1 3.15Å; K37-D165 IonicContact NZ-OD2 3.96Å; K37-D165 PolarHBondContact NZ-OD2 2.84Å
38	S	87.7	Confident	80.2	Confident	23 Å²	23	60.1 Å²	60.1	16%	0.161	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-74.8	138.3	171.7	-58.2	0	0	0	0	109.6	L36 W161 Y162	L36-S38 PolarHBondContact O-N 2.88Å; S38-W161 VanDerWaalsContact CB-O 3.28Å; S38-W161 WeakPolarHBondContact CB-O 3.49Å; S38-W161 PolarHBondContact N-O 2.61Å; S38-W161 PolarHBondContact OG-O 3.19Å; S38-Y162 VanDerWaalsContact CB-CE1 3.43Å
39	P	85.6	Confident	80.4	Confident	117 Å²	117	58.5 Å²	58.5	76%	0.76	32%	0.32	S	S	*	.	S	Bend	trans	-70.3	145	-178.3	28.9	-34.3	0	0	0	111.7
40	G	87.4	Confident	80.7	Confident	19 Å²	19	59.1 Å²	59.1	20%	0.196	32%	0.324	C	S	.	.	S	Bend	trans	79.2	-159.3	177.2	0	0	0	0	0	112.6	Y162 D165	G40-Y162 VanDerWaalsContact O-CD1 3.25Å; G40-Y162 WeakPolarHBondContact O-CD1 3.13Å; G40-D165 PolarHBondContact N-OD2 3.34Å
41	N	84.8	Confident	80.9	Confident	24 Å²	24	60.9 Å²	60.9	13%	0.128	33%	0.327	C	S	.	.			trans	-120	-5.3	-175.5	69.5	-13.4	0	0	0	114.8	G43 F44 D166 L168	N41-G43 PolarHBondContact O-N 3.18Å; N41-G43 PolarHBondContact OD1-N 3.36Å; N41-G43 VanDerWaalsContact OD1-N 3.1Å; N41-F44 PolarHBondContact ND2-O 3.38Å; N41-F44 WeakPolarHBondContact O-CB 3.37Å; N41-F44 WeakPolarHBondContact O-CD2 3.42Å; N41-F44 PolarHBondContact O-N 2.78Å; N41-D166 HydrophobicContact CB-CB 4.43Å; N41-L168 HydrophobicContact CB-CD1 3.88Å; N41-L168 HydrophobicContact CB-CG 3.95Å
42	N	85.1	Confident	81.1	Confident	61 Å²	61	59.1 Å²	59.1	33%	0.326	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.2	32.9	-172.5	-162.5	28.3	0	0	0	114.4	F44 Q83 E156 Y162	N42-F44 VanDerWaalsContact C-N 3.28Å; N42-F44 HydrophobicContact CB-CD2 4.3Å; N42-F44 HydrophobicContact CB-CE2 4.28Å; N42-F44 PolarHBondContact O-N 2.96Å; N42-Q83 PolarHBondContact ND2-NE2 3.44Å; N42-E156 PolarHBondContact ND2-OE2 2.9Å; N42-Y162 HydrophobicContact CB-CD1 4.32Å; N42-Y162 HydrophobicContact CB-CD2 4.21Å; N42-Y162 HydrophobicContact CB-CE1 3.68Å; N42-Y162 HydrophobicContact CB-CE2 3.58Å; N42-Y162 WeakPolarHBondContact CB-OH 3.37Å; N42-Y162 PolarHBondContact ND2-OH 3.06Å
43	G	83.3	Confident	81.3	Confident	21 Å²	21	55.9 Å²	55.9	22%	0.216	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	13.5	-177.7	0	0	0	0	0	115.2	N41 W76	N41-G43 PolarHBondContact O-N 3.18Å; N41-G43 PolarHBondContact OD1-N 3.36Å; N41-G43 VanDerWaalsContact OD1-N 3.1Å; G43-W76 PolarHBondContact O-N 3.03Å
44	F	91.8	Very high	81.1	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	33%	0.326	C	S	.	.			trans	-76.3	139.3	164.2	-62.2	-66	0	0	0	110	N41 N42 Q74 Q83 F85 V154 E156 Y162 L168	N41-F44 PolarHBondContact ND2-O 3.38Å; N41-F44 WeakPolarHBondContact O-CB 3.37Å; N41-F44 WeakPolarHBondContact O-CD2 3.42Å; N41-F44 PolarHBondContact O-N 2.78Å; N42-F44 VanDerWaalsContact C-N 3.28Å; N42-F44 HydrophobicContact CB-CD2 4.3Å; N42-F44 HydrophobicContact CB-CE2 4.28Å; N42-F44 PolarHBondContact O-N 2.96Å; F44-Q74 WeakPolarHBondContact CA-O 3.46Å; F44-Q83 HydrophobicContact CE1-CG 3.78Å; F44-Q83 HydrophobicContact CZ-CG 3.72Å; F44-F85 HydrophobicContact CD1-CD1 4.05Å; F44-F85 HydrophobicContact CE1-CB 3.93Å; F44-F85 AromaticContact CE1-CD1 3.73Å; F44-F85 HydrophobicContact CE1-CD1 3.73Å; F44-F85 HydrophobicContact CE1-CG 4.26Å; F44-F85 HydrophobicContact CZ-CB 4Å; F44-V154 HydrophobicContact CB-CG2 4.38Å; F44-V154 HydrophobicContact CD1-CG1 4.09Å; F44-V154 HydrophobicContact CD2-CB 4.26Å; F44-V154 HydrophobicContact CD2-CG1 3.85Å; F44-V154 HydrophobicContact CE1-CG1 4.17Å; F44-V154 HydrophobicContact CE2-CG1 3.94Å; F44-V154 HydrophobicContact CG-CB 4.39Å; F44-V154 HydrophobicContact CG-CG1 3.95Å; F44-V154 HydrophobicContact CG-CG2 4.49Å; F44-V154 HydrophobicContact CZ-CG1 4.1Å; F44-E156 HydrophobicContact CE2-CB 4.45Å; F44-E156 HydrophobicContact CE2-CG 4.45Å; F44-E156 HydrophobicContact CZ-CG 4.2Å; F44-Y162 AromaticContact CD2-CD2 3.93Å; F44-Y162 HydrophobicContact CD2-CD2 3.93Å; F44-Y162 HydrophobicContact CD2-CE2 4.33Å; F44-Y162 AromaticContact CE2-CD2 3.96Å; F44-Y162 HydrophobicContact CE2-CD2 3.96Å; F44-Y162 AromaticContact CE2-CE2 3.98Å; F44-Y162 HydrophobicContact CE2-CE2 3.98Å; F44-L168 HydrophobicContact CB-CD2 3.82Å; F44-L168 HydrophobicContact CB-CG 4.39Å
45	Q	91	Very high	80.3	Confident	55 Å²	55	54.9 Å²	54.9	26%	0.257	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	151.8	-177.3	60.4	177.8	-59.9	0	0	113.1	I47 I73 Q74 E167	Q45-I47 HydrophobicContact CG-CD1 4.1Å; Q45-I47 HydrophobicContact CG-CG1 3.99Å; Q45-I73 WeakPolarHBondContact O-CA 3.34Å; Q45-Q74 HydrophobicContact CG-CG 3.99Å; Q45-Q74 PolarHBondContact N-O 3.47Å; Q45-Q74 PolarHBondContact O-N 2.84Å; Q45-Q74 VanDerWaalsContact O-N 3.11Å; Q45-E167 CarbonylContact C-O 3.49Å; Q45-E167 WeakPolarHBondContact CA-O 3.42Å; Q45-E167 HydrophobicContact CB-CB 3.52Å; Q45-E167 HydrophobicContact CB-CG 4.48Å; Q45-E167 WeakPolarHBondContact CB-OE2 3.39Å
46	V	92.4	Very high	79.3	Confident	5 Å²	5	56.3 Å²	56.3	3%	0.03	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	118.6	171	179.1	0	0	0	0	109.4	I71 V72 I73 L90 F150 A152 E167 L168 K170	V46-I71 HydrophobicContact CG1-CG2 3.7Å; V46-V72 WeakPolarHBondContact CA-O 3.39Å; V46-I73 HydrophobicContact CG2-CG1 4.29Å; V46-L90 HydrophobicContact CG2-CD1 4.48Å; V46-F150 HydrophobicContact CG1-CB 3.93Å; V46-A152 HydrophobicContact CG2-CB 3.47Å; V46-A152 VanDerWaalsContact CG2-CB 3.47Å; V46-E167 PolarHBondContact N-O 3.35Å; V46-L168 WeakPolarHBondContact CG2-O 3.47Å; V46-K170 HydrophobicContact CB-CB 4.16Å; V46-K170 HydrophobicContact CG1-CB 4.08Å
47	I	90.8	Very high	77.9	Confident	37 Å²	37	57.5 Å²	57.5	19%	0.19	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	130.7	179.3	-54.9	-178.4	0	0	0	109.5	Q45 K49 V72 Q74	Q45-I47 HydrophobicContact CG-CD1 4.1Å; Q45-I47 HydrophobicContact CG-CG1 3.99Å; I47-K49 HydrophobicContact CG2-CG 3.94Å; I47-V72 HydrophobicContact CB-CB 4.48Å; I47-V72 PolarHBondContact N-O 2.86Å; I47-V72 PolarHBondContact O-N 3.11Å; I47-Q74 VanDerWaalsContact CD1-CD 3.42Å; I47-Q74 HydrophobicContact CD1-CG 3.88Å
48	V	89.9	Confident	76.6	Confident	7 Å²	7	59.6 Å²	59.6	4%	0.042	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	123.6	171.7	-173.3	0	0	0	0	108.6	V60 Y69 I71 F150 K170 L172	V48-V60 HydrophobicContact CB-CB 4.18Å; V48-V60 HydrophobicContact CG1-CB 3.89Å; V48-V60 HydrophobicContact CG1-CG1 3.93Å; V48-V60 HydrophobicContact CG1-CG2 4.23Å; V48-V60 WeakPolarHBondContact O-CG2 3.16Å; V48-Y69 HydrophobicContact CG1-CD1 4.3Å; V48-Y69 HydrophobicContact CG1-CG 4.33Å; V48-I71 HydrophobicContact CB-CD1 4.32Å; V48-I71 HydrophobicContact CG1-CD1 3.93Å; V48-I71 HydrophobicContact CG2-CD1 3.96Å; V48-F150 HydrophobicContact CG2-CD2 4.13Å; V48-F150 HydrophobicContact CG2-CE2 3.97Å; V48-K170 HydrophobicContact CG2-CG 4.17Å; V48-L172 HydrophobicContact CG1-CD2 3.9Å; V48-L172 HydrophobicContact CG2-CD2 4.32Å
49	K	86.4	Confident	75.5	Confident	70 Å²	70	64.7 Å²	64.7	30%	0.304	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	151.7	177.5	-63.7	-174.5	-178.5	179.6	0	110.6	I47 L53 T70 V72	I47-K49 HydrophobicContact CG2-CG 3.94Å; K49-L53 HydrophobicContact CB-CD2 3.83Å; K49-L53 HydrophobicContact CD-CD2 3.64Å; K49-L53 HydrophobicContact CG-CD2 4.37Å; K49-T70 PolarHBondContact N-O 3.32Å; K49-T70 PolarHBondContact O-N 3.31Å; K49-V72 HydrophobicContact CD-CG2 4.08Å
50	P	78.8	Confident	75	Confident	25 Å²	25	59.6 Å²	59.6	16%	0.162	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	153.8	173.7	25.3	-32.7	0	0	0	111.8	P52	P50-P52 CarbonylContact O-C 3.58Å
51	Y	75.3	Confident	74.2	Confident	99 Å²	99	63.7 Å²	63.7	39%	0.388	36%	0.36	S	S	.	.	S	Bend	trans	-119.9	131.7	171.5	-179.1	-90.1	0	0	0	110.5	K68 I137	Y51-K68 WeakPolarHBondContact CB-O 3.06Å; Y51-K68 HydrophobicContact CD1-CB 3.73Å; Y51-K68 HydrophobicContact CD1-CD 4.25Å; Y51-K68 HydrophobicContact CE1-CB 4.47Å; Y51-K68 HydrophobicContact CE1-CD 4.16Å; Y51-K68 HydrophobicContact CG-CB 4.08Å; Y51-I137 HydrophobicContact CD2-CD1 4.24Å; Y51-I137 HydrophobicContact CD2-CG1 4.11Å; Y51-I137 HydrophobicContact CE2-CD1 3.53Å; Y51-I137 HydrophobicContact CE2-CG1 3.91Å
52	P	65.7	Low	73.8	Confident	70 Å²	70	62.6 Å²	62.6	46%	0.455	36%	0.355	S	S	.	.	S	Bend	cis	-67.1	161.8	-7	29.4	-34.8	0	0	0	112.3	P50 N54	P50-P52 CarbonylContact O-C 3.58Å; P52-N54 PolarHBondContact O-N 3.08Å
53	L	64.5	Low	73.6	Confident	97 Å²	97	59.7 Å²	59.7	51%	0.508	34%	0.339	S	S	.	.			trans	-70.4	60.7	177.3	-75.8	156	0	0	0	111.1	K49 T70	K49-L53 HydrophobicContact CB-CD2 3.83Å; K49-L53 HydrophobicContact CD-CD2 3.64Å; K49-L53 HydrophobicContact CG-CD2 4.37Å; L53-T70 HydrophobicContact CD1-CG2 4.26Å
54	N	56.4	Low	73.2	Confident	87 Å²	87	59.2 Å²	59.2	47%	0.465	33%	0.331	S	S	.	.			trans	-105	88.7	-176.5	-70.1	-0.1	0	0	0	109.9	P52 S56	P52-N54 PolarHBondContact O-N 3.08Å; N54-S56 VanDerWaalsContact C-N 3.33Å; N54-S56 PolarHBondContact O-N 3.17Å
55	G	50.2	Low	72.4	Confident	78 Å²	78	59.9 Å²	59.9	80%	0.804	34%	0.336	S	S	*	.	S	Bend	trans	78.4	-32.4	154.1	0	0	0	0	0	119	L57	G55-L57 PolarHBondContact O-N 3.38Å
56	S	52.2	Low	71.5	Confident	52 Å²	52	58.1 Å²	58.1	36%	0.364	33%	0.332	S	S	.	.			trans	-81.3	110.1	178.7	74.3	0	0	0	0	110.3	N54 D58	N54-S56 VanDerWaalsContact C-N 3.33Å; N54-S56 PolarHBondContact O-N 3.17Å; S56-D58 PolarHBondContact O-N 3.29Å
57	L	51	Low	71	Confident	180 Å²	180	59.5 Å²	59.5	94%	0.942	34%	0.338	S	S	*	.			trans	-73	4.9	168.4	-94.8	132.8	0	0	0	112.8	G55 E59	G55-L57 PolarHBondContact O-N 3.38Å; L57-E59 PolarHBondContact O-N 3.05Å
58	D	59.1	Low	70.7	Confident	124 Å²	124	61.2 Å²	61.2	66%	0.663	35%	0.345	S	S	*	.			trans	-57.4	130.2	179.9	-67	-22.9	0	0	0	111.5	S56 V60	S56-D58 PolarHBondContact O-N 3.29Å; D58-V60 PolarHBondContact O-N 2.84Å
59	E	64.4	Low	70.6	Confident	130 Å²	130	61.3 Å²	61.3	61%	0.607	34%	0.344	S	S	*	.			trans	-64.2	126.9	175.4	-168.9	174.9	179.6	0	0	109.8	L57 T61 K170	L57-E59 PolarHBondContact O-N 3.05Å; E59-T61 PolarHBondContact O-N 2.97Å; E59-K170 IonicContact OE1-NZ 2.68Å; E59-K170 PolarHBondContact OE1-NZ 3Å
60	V	73.9	Confident	70.8	Confident	10 Å²	10	58 Å²	58	6%	0.061	33%	0.33	C	S	.	.			trans	-74.7	100.2	176.5	-175.6	0	0	0	0	108.4	V48 D58 G62 Y69 L172	V48-V60 HydrophobicContact CB-CB 4.18Å; V48-V60 HydrophobicContact CG1-CB 3.89Å; V48-V60 HydrophobicContact CG1-CG1 3.93Å; V48-V60 HydrophobicContact CG1-CG2 4.23Å; V48-V60 WeakPolarHBondContact O-CG2 3.16Å; D58-V60 PolarHBondContact O-N 2.84Å; V60-G62 WeakPolarHBondContact CG1-O 3.43Å; V60-Y69 HydrophobicContact CG1-CD1 4.03Å; V60-Y69 HydrophobicContact CG1-CE1 3.92Å; V60-L172 HydrophobicContact CG1-CD1 4.22Å; V60-L172 HydrophobicContact CG1-CD2 4.46Å; V60-L172 WeakPolarHBondContact O-CD1 3.24Å
61	T	70.3	Confident	71.4	Confident	105 Å²	105	56.9 Å²	56.9	64%	0.644	32%	0.323	S	S	*	.			trans	-79.4	-18.9	-179.4	51.3	0	0	0	0	114.4	E59 R175	E59-T61 PolarHBondContact O-N 2.97Å; T61-R175 PolarHBondContact OG1-NH2 2.89Å
62	G	77.6	Confident	72.2	Confident	2 Å²	2	52.5 Å²	52.5	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167	166.2	177.1	0	0	0	0	0	111.4	V60 C173	V60-G62 WeakPolarHBondContact CG1-O 3.43Å; G62-C173 CarbonylContact C-O 3.53Å; G62-C173 WeakPolarHBondContact CA-O 3.37Å
63	Y	80.6	Confident	73.4	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	160.2	-177.5	74.2	-89.3	0	0	0	113.2	W138 A140 G146 V148 L172 C173 I174 R175	Y63-W138 HydrophobicContact CD1-CH2 4.35Å; Y63-W138 HydrophobicContact CD2-CH2 4.26Å; Y63-W138 HydrophobicContact CG-CH2 4.09Å; Y63-W138 HydrophobicContact CG-CZ3 4.39Å; Y63-A140 HydrophobicContact CD2-CB 3.54Å; Y63-A140 HydrophobicContact CE2-CB 4.04Å; Y63-A140 HydrophobicContact CG-CB 4.36Å; Y63-G146 PolarHBondContact OH-O 3.04Å; Y63-V148 HydrophobicContact CE1-CB 4.44Å; Y63-V148 HydrophobicContact CE1-CG2 3.83Å; Y63-L172 HydrophobicContact CD1-CB 4.42Å; Y63-L172 HydrophobicContact CD1-CD2 4.21Å; Y63-L172 HydrophobicContact CD1-CG 4.04Å; Y63-L172 WeakPolarHBondContact CD1-O 3.35Å; Y63-L172 WeakPolarHBondContact CE1-O 3.49Å; Y63-L172 HydrophobicContact CG-CD2 4.42Å; Y63-C173 WeakPolarHBondContact CD1-O 3.3Å; Y63-C173 PolarHBondContact N-O 3.13Å; Y63-I174 WeakPolarHBondContact O-CA 3.41Å; Y63-R175 PolarHBondContact O-N 3.15Å; Y63-R175 VanDerWaalsContact O-N 3.1Å
64	I	74	Confident	74.7	Confident	10 Å²	10	46.9 Å²	46.9	5%	0.051	27%	0.271	C	S	.	.			trans	-106.6	130.4	171	-50.8	-173.7	0	0	0	107.7	G66 E67 Y69 A140 L180 Y183 Y368	I64-G66 PolarHBondContact O-N 2.84Å; I64-E67 HydrophobicContact CB-CB 4.12Å; I64-E67 HydrophobicContact CB-CG 3.88Å; I64-E67 HydrophobicContact CG2-CG 4.16Å; I64-E67 WeakPolarHBondContact O-CB 3.32Å; I64-E67 PolarHBondContact O-N 2.99Å; I64-E67 VanDerWaalsContact O-N 3.11Å; I64-Y69 PolarHBondContact N-OH 2.77Å; I64-A140 WeakPolarHBondContact O-CB 3.27Å; I64-L180 HydrophobicContact CB-CD2 4.35Å; I64-L180 HydrophobicContact CD1-CD2 3.57Å; I64-L180 HydrophobicContact CG1-CD2 3.62Å; I64-L180 HydrophobicContact CG2-CD2 4.04Å; I64-Y183 HydrophobicContact CD1-CD1 4.3Å; I64-Y183 HydrophobicContact CD1-CE1 4.34Å; I64-Y368 HydrophobicContact CG2-CD2 4.11Å
65	P	75.1	Confident	76.1	Confident	14 Å²	14	43.1 Å²	43.1	9%	0.091	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	134	180	-29	36.4	0	0	0	112.6	E67 P141 I174 Y368	P65-E67 PolarHBondContact O-N 3.16Å; P65-E67 VanDerWaalsContact O-N 3.12Å; P65-P141 CarbonylContact C-O 3.53Å; P65-P141 WeakPolarHBondContact CA-O 3Å; P65-P141 WeakPolarHBondContact CB-O 3.28Å; P65-I174 HydrophobicContact CG-CD1 3.56Å; P65-I174 HydrophobicContact CG-CG1 4.23Å; P65-Y368 WeakPolarHBondContact O-CE2 3.34Å; P65-Y368 PolarHBondContact O-OH 3.39Å
66	G	73.3	Confident	77.7	Confident	18 Å²	18	44 Å²	44	19%	0.186	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	-9.2	-178.9	0	0	0	0	0	116.8	I64 A140 P141	I64-G66 PolarHBondContact O-N 2.84Å; G66-A140 VanDerWaalsContact CA-O 3.26Å; G66-A140 WeakPolarHBondContact CA-O 3.35Å; G66-A140 PolarHBondContact N-O 3.38Å; G66-P141 PolarHBondContact N-O 3.33Å
67	E	80.7	Confident	79	Confident	34 Å²	34	49.1 Å²	49.1	16%	0.159	25%	0.247	C	C	.	.			trans	-70.6	155.2	174.1	-86.5	-149.1	147.1	0	0	112.1	I64 P65 Y69 A140 K365	I64-E67 HydrophobicContact CB-CB 4.12Å; I64-E67 HydrophobicContact CB-CG 3.88Å; I64-E67 HydrophobicContact CG2-CG 4.16Å; I64-E67 WeakPolarHBondContact O-CB 3.32Å; I64-E67 PolarHBondContact O-N 2.99Å; I64-E67 VanDerWaalsContact O-N 3.11Å; P65-E67 PolarHBondContact O-N 3.16Å; P65-E67 VanDerWaalsContact O-N 3.12Å; E67-Y69 HydrophobicContact CB-CE2 3.7Å; E67-Y69 PolarHBondContact OE2-OH 2.79Å; E67-A140 WeakPolarHBondContact O-CB 3.44Å; E67-A140 PolarHBondContact O-N 3.29Å; E67-K365 IonicContact OE1-NZ 2.84Å; E67-K365 PolarHBondContact OE1-NZ 2.86Å
68	K	85.2	Confident	80.3	Confident	74 Å²	74	43.7 Å²	43.7	32%	0.322	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	141.2	174.9	-61.9	-174.4	-175.1	-169.6	0	110.1	Y51 I137 W138 Q139	Y51-K68 WeakPolarHBondContact CB-O 3.06Å; Y51-K68 HydrophobicContact CD1-CB 3.73Å; Y51-K68 HydrophobicContact CD1-CD 4.25Å; Y51-K68 HydrophobicContact CE1-CB 4.47Å; Y51-K68 HydrophobicContact CE1-CD 4.16Å; Y51-K68 HydrophobicContact CG-CB 4.08Å; K68-I137 HydrophobicContact CB-CG2 4.19Å; K68-I137 HydrophobicContact CD-CG2 4.1Å; K68-I137 HydrophobicContact CG-CG2 4.39Å; K68-W138 CarbonylContact C-O 3.2Å; K68-W138 WeakPolarHBondContact CA-O 3.44Å; K68-Q139 HydrophobicContact CG-CB 4.34Å; K68-Q139 HydrophobicContact CG-CG 4.38Å
69	Y	88.6	Confident	81	Confident	9 Å²	9	49.1 Å²	49.1	4%	0.035	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	156.7	172.9	-60.7	-86.7	0	0	0	109.5	V48 V60 I64 E67 I137 W138 A140	V48-Y69 HydrophobicContact CG1-CD1 4.3Å; V48-Y69 HydrophobicContact CG1-CG 4.33Å; V60-Y69 HydrophobicContact CG1-CD1 4.03Å; V60-Y69 HydrophobicContact CG1-CE1 3.92Å; I64-Y69 PolarHBondContact N-OH 2.77Å; E67-Y69 HydrophobicContact CB-CE2 3.7Å; E67-Y69 PolarHBondContact OE2-OH 2.79Å; Y69-I137 CarbonylContact O-C 3.53Å; Y69-I137 WeakPolarHBondContact O-CA 3.31Å; Y69-W138 AromaticContact CD2-CE3 3.77Å; Y69-W138 HydrophobicContact CD2-CE3 3.77Å; Y69-W138 AromaticContact CD2-CZ3 3.68Å; Y69-W138 HydrophobicContact CD2-CZ3 3.68Å; Y69-W138 HydrophobicContact CE2-CZ3 4.28Å; Y69-W138 HydrophobicContact CG-CE3 4.36Å; Y69-W138 HydrophobicContact CG-CZ3 4.49Å; Y69-W138 PolarHBondContact N-O 2.78Å; Y69-W138 PolarHBondContact O-N 2.8Å; Y69-A140 HydrophobicContact CE2-CB 4.43Å
70	T	89.5	Confident	81.7	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	116.3	172.8	-52.1	0	0	0	0	108.6	K49 L53 V72	K49-T70 PolarHBondContact N-O 3.32Å; K49-T70 PolarHBondContact O-N 3.31Å; L53-T70 HydrophobicContact CD1-CG2 4.26Å; T70-V72 HydrophobicContact CG2-CG2 4.02Å
71	I	91.8	Very high	81.9	Confident	1 Å²	1	55 Å²	55	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	124.4	175.5	-45.2	-58.7	0	0	0	108	V46 V48 L90 F105 S135 V136 W138 F150	V46-I71 HydrophobicContact CG1-CG2 3.7Å; V48-I71 HydrophobicContact CB-CD1 4.32Å; V48-I71 HydrophobicContact CG1-CD1 3.93Å; V48-I71 HydrophobicContact CG2-CD1 3.96Å; I71-L90 HydrophobicContact CB-CD2 4.17Å; I71-L90 HydrophobicContact CG2-CD1 4.49Å; I71-L90 HydrophobicContact CG2-CD2 3.73Å; I71-F105 HydrophobicContact CG1-CE1 4.3Å; I71-S135 CarbonylContact O-C 3.47Å; I71-S135 VanDerWaalsContact O-CA 3.28Å; I71-S135 WeakPolarHBondContact O-CA 3.34Å; I71-V136 HydrophobicContact CB-CG1 4.11Å; I71-V136 PolarHBondContact N-O 2.87Å; I71-V136 PolarHBondContact O-N 2.82Å; I71-W138 HydrophobicContact CD1-CB 4.11Å; I71-W138 HydrophobicContact CD1-CE3 4.44Å; I71-W138 HydrophobicContact CG1-CB 3.55Å; I71-W138 HydrophobicContact CG1-CG 4.34Å; I71-F150 HydrophobicContact CD1-CD1 4.29Å; I71-F150 HydrophobicContact CD1-CE1 3.71Å; I71-F150 HydrophobicContact CD1-CE2 4.05Å; I71-F150 HydrophobicContact CD1-CZ 3.58Å; I71-F150 HydrophobicContact CG1-CD1 4.31Å; I71-F150 HydrophobicContact CG1-CE1 3.89Å; I71-F150 HydrophobicContact CG1-CZ 4.28Å; I71-F150 HydrophobicContact CG2-CD1 4.34Å
72	V	91.5	Very high	82.4	Confident	6 Å²	6	54.4 Å²	54.4	4%	0.036	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	124.4	-176.7	-174.9	0	0	0	0	109.6	V46 I47 K49 T70 Q74 N133 V134	V46-V72 WeakPolarHBondContact CA-O 3.39Å; I47-V72 HydrophobicContact CB-CB 4.48Å; I47-V72 PolarHBondContact N-O 2.86Å; I47-V72 PolarHBondContact O-N 3.11Å; K49-V72 HydrophobicContact CD-CG2 4.08Å; T70-V72 HydrophobicContact CG2-CG2 4.02Å; V72-Q74 HydrophobicContact CG1-CB 4.29Å; V72-N133 HydrophobicContact CG1-CB 4.18Å; V72-V134 CarbonylContact C-O 3.47Å; V72-V134 VanDerWaalsContact CA-O 3.3Å; V72-V134 WeakPolarHBondContact CA-O 3.25Å
73	I	92.2	Very high	82.8	Confident	3 Å²	3	55.7 Å²	55.7	2%	0.015	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	124.8	162.9	-63	169.3	0	0	0	106.8	Q45 V46 F85 F88 L90 N133 V134 A152 V154	Q45-I73 WeakPolarHBondContact O-CA 3.34Å; V46-I73 HydrophobicContact CG2-CG1 4.29Å; I73-F85 HydrophobicContact CB-CZ 4.32Å; I73-F85 HydrophobicContact CG2-CE1 4.08Å; I73-F85 HydrophobicContact CG2-CE2 4.44Å; I73-F85 HydrophobicContact CG2-CZ 3.86Å; I73-F88 HydrophobicContact CD1-CB 4.32Å; I73-F88 HydrophobicContact CD1-CD2 3.66Å; I73-F88 HydrophobicContact CD1-CE2 4.43Å; I73-F88 HydrophobicContact CD1-CG 4.23Å; I73-L90 HydrophobicContact CD1-CB 4.02Å; I73-L90 HydrophobicContact CD1-CD1 4.33Å; I73-L90 HydrophobicContact CD1-CD2 4.41Å; I73-L90 HydrophobicContact CD1-CG 4.48Å; I73-N133 CarbonylContact O-C 3.57Å; I73-N133 WeakPolarHBondContact O-CA 3.17Å; I73-N133 WeakPolarHBondContact O-CB 3.13Å; I73-V134 PolarHBondContact N-O 2.87Å; I73-V134 PolarHBondContact O-N 2.75Å; I73-A152 HydrophobicContact CD1-CB 3.96Å; I73-A152 HydrophobicContact CG1-CB 4.33Å; I73-V154 HydrophobicContact CG2-CG2 3.87Å
74	Q	90.3	Very high	83.3	Confident	47 Å²	47	58 Å²	58	22%	0.22	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	150.4	176.7	65.9	175.4	32	0	0	111.7	F44 Q45 I47 V72 N133	F44-Q74 WeakPolarHBondContact CA-O 3.46Å; Q45-Q74 HydrophobicContact CG-CG 3.99Å; Q45-Q74 PolarHBondContact N-O 3.47Å; Q45-Q74 PolarHBondContact O-N 2.84Å; Q45-Q74 VanDerWaalsContact O-N 3.11Å; I47-Q74 VanDerWaalsContact CD1-CD 3.42Å; I47-Q74 HydrophobicContact CD1-CG 3.88Å; V72-Q74 HydrophobicContact CG1-CB 4.29Å; Q74-N133 HydrophobicContact CB-CB 3.7Å
75	G	86.5	Confident	84.1	Confident	7 Å²	7	57.5 Å²	57.5	7%	0.072	27%	0.271	C	S	.	.			trans	-81.8	169	165.6	0	0	0	0	0	112.1	A132	G75-A132 PolarHBondContact N-O 2.94Å
76	W	83.1	Confident	84.8	Confident	96 Å²	96	61.1 Å²	61.1	36%	0.364	28%	0.283	S	S	.	.			trans	-67.1	152.3	170.5	63.4	-89.5	0	0	0	111.4	G43 T78 T81 Q83	G43-W76 PolarHBondContact O-N 3.03Å; W76-T78 HydrophobicContact CE3-CG2 3.81Å; W76-T78 HydrophobicContact CZ3-CG2 3.42Å; W76-T78 VanDerWaalsContact CZ3-CG2 3.42Å; W76-T81 WeakPolarHBondContact CH2-OG1 3.35Å; W76-T81 WeakPolarHBondContact CZ3-OG1 3.48Å; W76-Q83 HydrophobicContact CD2-CB 4.1Å; W76-Q83 HydrophobicContact CG-CB 4.01Å; W76-Q83 HydrophobicContact CZ2-CB 4.49Å; W76-Q83 WeakPolarHBondContact O-CB 3.45Å; W76-Q83 PolarHBondContact O-N 3.27Å
77	K	80	Confident	85.6	Confident	160 Å²	160	60.3 Å²	60.3	70%	0.696	27%	0.274	S	S	*	.	B	Isolated β-bridge	trans	-133.3	128.4	179.8	173.6	174.4	-179.9	-175.3	0	109.7	I82	K77-I82 HydrophobicContact CD-CD1 4.45Å; K77-I82 HydrophobicContact CD-CG1 4.11Å; K77-I82 HydrophobicContact CG-CG1 3.94Å
78	T	78.2	Confident	86.2	Confident	67 Å²	67	58.8 Å²	58.8	41%	0.411	27%	0.267	S	S	.	.			trans	-103.2	-176	164.5	64.9	0	0	0	0	110.5	W76 F80 T81	W76-T78 HydrophobicContact CE3-CG2 3.81Å; W76-T78 HydrophobicContact CZ3-CG2 3.42Å; W76-T78 VanDerWaalsContact CZ3-CG2 3.42Å; T78-F80 PolarHBondContact O-N 2.9Å; T78-F80 PolarHBondContact OG1-N 3.25Å; T78-T81 PolarHBondContact N-O 2.73Å; T78-T81 PolarHBondContact OG1-N 2.98Å; T78-T81 PolarHBondContact OG1-O 3.26Å; T78-T81 PolarHBondContact OG1-OG1 3.38Å
79	R	74.8	Confident	86.6	Confident	238 Å²	238	55.3 Å²	55.3	90%	0.898	25%	0.252	S	S	*	.	S	Bend	trans	-61.1	-26	172	-76.7	-172.3	-172.1	-179.8	3.3	113.4
80	F	78.5	Confident	86.8	Confident	194 Å²	194	55 Å²	55	85%	0.851	25%	0.251	S	S	*	.	S	Bend	trans	-118.9	-25.1	-170.6	-56.6	-72.2	0	0	0	113.9	T78	T78-F80 PolarHBondContact O-N 2.9Å; T78-F80 PolarHBondContact OG1-N 3.25Å
81	T	77.2	Confident	86.9	Confident	70 Å²	70	55 Å²	55	43%	0.429	25%	0.251	S	S	.	.			trans	-127.9	140.4	-175.5	60.7	0	0	0	0	111.3	W76 T78	W76-T81 WeakPolarHBondContact CH2-OG1 3.35Å; W76-T81 WeakPolarHBondContact CZ3-OG1 3.48Å; T78-T81 PolarHBondContact N-O 2.73Å; T78-T81 PolarHBondContact OG1-N 2.98Å; T78-T81 PolarHBondContact OG1-O 3.26Å; T78-T81 PolarHBondContact OG1-OG1 3.38Å
82	I	81.2	Confident	86.9	Confident	91 Å²	91	55.1 Å²	55.1	47%	0.467	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-118.9	122.4	172	-63.5	168.1	0	0	0	106.3	K77 T84 A132	K77-I82 HydrophobicContact CD-CD1 4.45Å; K77-I82 HydrophobicContact CD-CG1 4.11Å; K77-I82 HydrophobicContact CG-CG1 3.94Å; I82-T84 PolarHBondContact O-N 2.96Å; I82-A132 HydrophobicContact CG2-CB 3.55Å
83	Q	87.4	Confident	86.8	Confident	30 Å²	30	55.1 Å²	55.1	14%	0.14	25%	0.252	C	S	.	.			trans	-74.2	125.4	175.6	-173.3	63.7	6.3	0	0	109.5	N42 F44 W76 E156	N42-Q83 PolarHBondContact ND2-NE2 3.44Å; F44-Q83 HydrophobicContact CE1-CG 3.78Å; F44-Q83 HydrophobicContact CZ-CG 3.72Å; W76-Q83 HydrophobicContact CD2-CB 4.1Å; W76-Q83 HydrophobicContact CG-CB 4.01Å; W76-Q83 HydrophobicContact CZ2-CB 4.49Å; W76-Q83 WeakPolarHBondContact O-CB 3.45Å; W76-Q83 PolarHBondContact O-N 3.27Å; Q83-E156 PolarHBondContact NE2-OE1 2.78Å; Q83-E156 PolarHBondContact NE2-OE2 3.01Å
84	T	90.2	Very high	86.4	Confident	48 Å²	48	55.1 Å²	55.1	29%	0.294	25%	0.253	S	S	.	.			trans	-116.3	152.5	-177.3	62.1	0	0	0	0	112	I82 K131	I82-T84 PolarHBondContact O-N 2.96Å; T84-K131 CarbonylContact C-O 3.49Å; T84-K131 WeakPolarHBondContact CA-O 3.49Å; T84-K131 WeakPolarHBondContact CB-O 3.23Å
85	F	91	Very high	85.8	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-127.2	152	173.2	58.4	-84.9	0	0	0	111	F44 I73 F88 K131 V134 V154	F44-F85 HydrophobicContact CD1-CD1 4.05Å; F44-F85 HydrophobicContact CE1-CB 3.93Å; F44-F85 AromaticContact CE1-CD1 3.73Å; F44-F85 HydrophobicContact CE1-CD1 3.73Å; F44-F85 HydrophobicContact CE1-CG 4.26Å; F44-F85 HydrophobicContact CZ-CB 4Å; I73-F85 HydrophobicContact CB-CZ 4.32Å; I73-F85 HydrophobicContact CG2-CE1 4.08Å; I73-F85 HydrophobicContact CG2-CE2 4.44Å; I73-F85 HydrophobicContact CG2-CZ 3.86Å; F85-F88 HydrophobicContact CD2-CB 4.17Å; F85-F88 HydrophobicContact CD2-CD1 4.35Å; F85-F88 HydrophobicContact CE2-CB 3.94Å; F85-F88 AromaticContact CE2-CD1 3.69Å; F85-F88 HydrophobicContact CE2-CD1 3.69Å; F85-F88 HydrophobicContact CE2-CG 4.03Å; F85-K131 WeakPolarHBondContact CD1-O 3.48Å; F85-K131 HydrophobicContact CE2-CB 4.36Å; F85-K131 HydrophobicContact CZ-CB 4.37Å; F85-K131 PolarHBondContact N-O 2.64Å; F85-K131 PolarHBondContact O-N 3.11Å; F85-V134 HydrophobicContact CE2-CG2 3.83Å; F85-V134 HydrophobicContact CZ-CB 4.14Å; F85-V134 HydrophobicContact CZ-CG2 3.71Å; F85-V154 HydrophobicContact CB-CG1 3.27Å; F85-V154 HydrophobicContact CD1-CG1 4.21Å; F85-V154 HydrophobicContact CD2-CG1 3.97Å; F85-V154 HydrophobicContact CG-CG1 3.57Å
86	R	90.4	Very high	85.3	Confident	90 Å²	90	61 Å²	61	34%	0.34	29%	0.287	S	S	.	.	S	Bend	trans	-92.3	-42.8	-177.6	-68.7	-179.4	176.8	-137.9	-2.6	112.3	M128 P130 K131 L155 E156	R86-M128 HydrophobicContact CB-SD 4.19Å; R86-P130 HydrophobicContact CG-CG 4.47Å; R86-K131 PolarHBondContact O-NZ 2.85Å; R86-L155 PolarHBondContact N-O 2.81Å; R86-E156 WeakPolarHBondContact CG-O 3.02Å
87	G	90.4	Very high	84.9	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	159.8	-178.4	0	0	0	0	0	111.9	L155	G87-L155 PolarHBondContact N-O 3.01Å; G87-L155 VanDerWaalsContact N-O 3.16Å; G87-L155 PolarHBondContact O-N 3.44Å
88	F	92.8	Very high	84.4	Confident	2 Å²	2	58.2 Å²	58.2	1%	0.009	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	165	175.4	70.1	-80	0	0	0	110.7	I73 F85 I113 V123 T124 H125 V134 A153 V154	I73-F88 HydrophobicContact CD1-CB 4.32Å; I73-F88 HydrophobicContact CD1-CD2 3.66Å; I73-F88 HydrophobicContact CD1-CE2 4.43Å; I73-F88 HydrophobicContact CD1-CG 4.23Å; F85-F88 HydrophobicContact CD2-CB 4.17Å; F85-F88 HydrophobicContact CD2-CD1 4.35Å; F85-F88 HydrophobicContact CE2-CB 3.94Å; F85-F88 AromaticContact CE2-CD1 3.69Å; F85-F88 HydrophobicContact CE2-CD1 3.69Å; F85-F88 HydrophobicContact CE2-CG 4.03Å; F88-I113 HydrophobicContact CZ-CB 4.4Å; F88-I113 HydrophobicContact CZ-CG1 4.03Å; F88-I113 HydrophobicContact CZ-CG2 4.08Å; F88-V123 HydrophobicContact CE2-CG2 4.5Å; F88-T124 VanDerWaalsContact O-CA 3.27Å; F88-T124 WeakPolarHBondContact O-CA 3.39Å; F88-T124 WeakPolarHBondContact O-CB 3.14Å; F88-T124 PolarHBondContact O-OG1 3.04Å; F88-H125 HydrophobicContact CD1-CB 3.83Å; F88-H125 HydrophobicContact CE1-CB 3.72Å; F88-H125 PolarHBondContact N-ND1 2.78Å; F88-H125 PolarHBondContact O-N 3.18Å; F88-H125 PolarHBondContact O-ND1 2.74Å; F88-V134 HydrophobicContact CD1-CG2 4.14Å; F88-V134 HydrophobicContact CE1-CB 4.17Å; F88-V134 HydrophobicContact CE1-CG1 3.84Å; F88-V134 HydrophobicContact CE1-CG2 3.76Å; F88-V134 HydrophobicContact CE2-CG1 4.11Å; F88-V134 HydrophobicContact CZ-CB 4.27Å; F88-V134 HydrophobicContact CZ-CG1 3.54Å; F88-V134 HydrophobicContact CZ-CG2 4.33Å; F88-A153 CarbonylContact C-O 3.4Å; F88-A153 WeakPolarHBondContact CA-O 3.09Å; F88-A153 WeakPolarHBondContact CB-O 2.97Å; F88-V154 HydrophobicContact CB-CG2 4.48Å
89	T	92.4	Very high	84.1	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.012	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	137.9	166.6	-52.8	0	0	0	0	108.5	R27 A122 V123 A152 A153	R27-T89 HydrophobicContact CB-CG2 4.05Å; R27-T89 HydrophobicContact CG-CG2 4.3Å; R27-T89 VanDerWaalsContact O-CB 3.23Å; R27-T89 WeakPolarHBondContact O-CB 3.39Å; R27-T89 PolarHBondContact O-OG1 3.48Å; R27-T89 VanDerWaalsContact O-OG1 3.07Å; T89-A122 HydrophobicContact CG2-CB 3.97Å; T89-V123 CarbonylContact C-O 3.58Å; T89-V123 VanDerWaalsContact CA-O 3.29Å; T89-V123 WeakPolarHBondContact CA-O 3.48Å; T89-A152 CarbonylContact O-C 3.5Å; T89-A152 VanDerWaalsContact O-CA 3.31Å; T89-A152 WeakPolarHBondContact O-CA 3.35Å; T89-A153 PolarHBondContact N-O 3.37Å; T89-A153 PolarHBondContact O-N 2.92Å
90	L	93.5	Very high	84.4	Confident	3 Å²	3	53.9 Å²	53.9	2%	0.016	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	129.6	178.4	179.3	66.1	0	0	0	110.1	V46 I71 I73 F105 A122 V123 V136 F150 A152	V46-L90 HydrophobicContact CG2-CD1 4.48Å; I71-L90 HydrophobicContact CB-CD2 4.17Å; I71-L90 HydrophobicContact CG2-CD1 4.49Å; I71-L90 HydrophobicContact CG2-CD2 3.73Å; I73-L90 HydrophobicContact CD1-CB 4.02Å; I73-L90 HydrophobicContact CD1-CD1 4.33Å; I73-L90 HydrophobicContact CD1-CD2 4.41Å; I73-L90 HydrophobicContact CD1-CG 4.48Å; L90-F105 HydrophobicContact CD2-CE1 3.9Å; L90-F105 HydrophobicContact CD2-CZ 3.93Å; L90-F105 HydrophobicContact CG-CE1 4.36Å; L90-F105 HydrophobicContact CG-CZ 3.86Å; L90-A122 CarbonylContact O-C 3.56Å; L90-A122 VanDerWaalsContact O-CA 3.25Å; L90-A122 WeakPolarHBondContact O-CA 3.49Å; L90-A122 WeakPolarHBondContact O-CB 3.43Å; L90-V123 HydrophobicContact CB-CG2 3.87Å; L90-V123 HydrophobicContact CD2-CG2 4.38Å; L90-V123 PolarHBondContact N-O 2.92Å; L90-V123 PolarHBondContact O-N 2.78Å; L90-V136 HydrophobicContact CD2-CG1 3.68Å; L90-F150 HydrophobicContact CD1-CB 4.37Å; L90-A152 HydrophobicContact CD1-CB 4.04Å
91	A	91.7	Very high	84.6	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	150.4	173.4	0	0	0	0	0	110.6	L93 A122 F150 K151	A91-L93 HydrophobicContact CB-CD2 4.35Å; A91-L93 HydrophobicContact CB-CG 4.32Å; A91-A122 HydrophobicContact CB-CB 4.11Å; A91-F150 WeakPolarHBondContact O-CA 3.28Å; A91-K151 PolarHBondContact N-O 3.06Å; A91-K151 VanDerWaalsContact N-O 3.08Å; A91-K151 PolarHBondContact O-N 3.32Å
92	A	91.4	Very high	84.9	Confident	4 Å²	4	42.9 Å²	42.9	3%	0.033	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	116.3	171.6	0	0	0	0	0	108.1	P101 A102 F105 V148 F150	A92-P101 WeakPolarHBondContact O-CA 3.06Å; A92-A102 WeakPolarHBondContact CB-O 3.26Å; A92-A102 PolarHBondContact O-N 2.88Å; A92-F105 HydrophobicContact CB-CE2 4.07Å; A92-F105 HydrophobicContact CB-CZ 3.81Å; A92-V148 HydrophobicContact CB-CG1 4.03Å; A92-F150 HydrophobicContact CB-CD1 3.8Å; A92-F150 HydrophobicContact CB-CE1 3.72Å
93	L	89.2	Confident	85	Confident	6 Å²	6	39.7 Å²	39.7	3%	0.031	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	147.4	-170.3	-56.3	171.8	0	0	0	110.4	A91 E98 E100 T149 K151	A91-L93 HydrophobicContact CB-CD2 4.35Å; A91-L93 HydrophobicContact CB-CG 4.32Å; L93-E98 WeakPolarHBondContact CD1-O 3.16Å; L93-E98 WeakPolarHBondContact CD2-O 3.4Å; L93-E100 WeakPolarHBondContact CA-O 3.16Å; L93-T149 PolarHBondContact N-O 2.83Å; L93-T149 PolarHBondContact O-N 2.89Å; L93-T149 PolarHBondContact O-OG1 3.41Å; L93-K151 HydrophobicContact CD1-CD 4.08Å; L93-K151 HydrophobicContact CD1-CG 4.46Å
94	S	83.9	Confident	84.9	Confident	3 Å²	3	43.7 Å²	43.7	2%	0.021	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	140.6	172.2	178.3	0	0	0	0	110.2	N96 D97 E100	S94-N96 PolarHBondContact O-N 3.42Å; S94-N96 PolarHBondContact OG-N 3.09Å; S94-D97 WeakPolarHBondContact CB-O 3.09Å; S94-D97 CarbonylContact O-C 3.56Å; S94-E100 PolarHBondContact N-O 2.62Å
95	S	78.2	Confident	84.9	Confident	39 Å²	39	42 Å²	42	27%	0.273	22%	0.221	S	C	.	.	S	Bend	trans	-72.2	-18.2	173.3	-58.4	0	0	0	0	112.5	C147 K171	S95-C147 VanDerWaalsContact CB-O 3.28Å; S95-C147 WeakPolarHBondContact CB-O 3.48Å; S95-C147 PolarHBondContact N-O 2.82Å; S95-C147 VanDerWaalsContact OG-C 3.3Å; S95-C147 VanDerWaalsContact OG-CB 3.24Å; S95-C147 WeakPolarHBondContact OG-CB 3.44Å; S95-C147 PolarHBondContact OG-O 3.01Å; S95-K171 WeakPolarHBondContact OG-CE 3.17Å
96	N	75.6	Confident	84.7	Confident	138 Å²	138	44.9 Å²	44.9	74%	0.738	23%	0.234	S	C	*	.	S	Bend	trans	-87.3	-35	-178.1	-62.6	-22.7	0	0	0	111.6	S94	S94-N96 PolarHBondContact O-N 3.42Å; S94-N96 PolarHBondContact OG-N 3.09Å
97	D	75.8	Confident	84.2	Confident	78 Å²	78	43.5 Å²	43.5	42%	0.417	23%	0.233	S	C	.	.			trans	-137.5	111	173.6	-172.7	-10.9	0	0	0	109.7	S94 N99 E100	S94-D97 WeakPolarHBondContact CB-O 3.09Å; S94-D97 CarbonylContact O-C 3.56Å; D97-N99 PolarHBondContact O-N 3.39Å; D97-N99 VanDerWaalsContact O-N 3.13Å; D97-N99 PolarHBondContact OD1-N 3.38Å; D97-E100 HydrophobicContact CB-CB 3.99Å; D97-E100 PolarHBondContact O-N 3.38Å
98	E	69.3	Low	83.3	Confident	119 Å²	119	48.8 Å²	48.8	56%	0.556	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-14.9	-178.3	-63	-154.2	152.5	0	0	113.4	L93 K151	L93-E98 WeakPolarHBondContact CD1-O 3.16Å; L93-E98 WeakPolarHBondContact CD2-O 3.4Å; E98-K151 IonicContact OE1-NZ 3.19Å; E98-K151 PolarHBondContact OE1-NZ 3.35Å; E98-K151 IonicContact OE2-NZ 2.59Å; E98-K151 PolarHBondContact OE2-NZ 3.31Å
99	N	71.9	Confident	81.8	Confident	120 Å²	120	58.4 Å²	58.4	64%	0.642	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-9	175.6	-71.1	-37.1	0	0	0	113.2	D97	D97-N99 PolarHBondContact O-N 3.39Å; D97-N99 VanDerWaalsContact O-N 3.13Å; D97-N99 PolarHBondContact OD1-N 3.38Å
100	E	79.7	Confident	80	Confident	94 Å²	94	66.4 Å²	66.4	44%	0.439	34%	0.344	S	S	.	.	S	Bend	trans	-93.3	118.1	-178.3	-168.5	171.1	-150.4	0	0	110.6	L93 S94 D97 A102	L93-E100 WeakPolarHBondContact CA-O 3.16Å; S94-E100 PolarHBondContact N-O 2.62Å; D97-E100 HydrophobicContact CB-CB 3.99Å; D97-E100 PolarHBondContact O-N 3.38Å; E100-A102 PolarHBondContact O-N 3.41Å
101	P	82.6	Confident	78.7	Confident	34 Å²	34	68 Å²	68	22%	0.221	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-70.8	129.4	177	28.2	-32.5	0	0	0	110.7	A92 W120 H121	A92-P101 WeakPolarHBondContact O-CA 3.06Å; P101-W120 HydrophobicContact CG-CH2 4.17Å; P101-W120 HydrophobicContact CG-CZ2 3.89Å; P101-H121 HydrophobicContact CB-CB 3.7Å; P101-H121 HydrophobicContact CG-CB 4.25Å
102	A	83.4	Confident	78	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	38%	0.378	C	S	.	.			trans	-108.9	107.4	179.5	0	0	0	0	0	111.1	A92 E100 W138 P141 V148	A92-A102 WeakPolarHBondContact CB-O 3.26Å; A92-A102 PolarHBondContact O-N 2.88Å; E100-A102 PolarHBondContact O-N 3.41Å; A102-W138 PolarHBondContact O-NE1 2.04Å; A102-P141 HydrophobicContact CB-CG 4.18Å; A102-V148 HydrophobicContact CB-CB 4.34Å; A102-V148 HydrophobicContact CB-CG1 3.96Å; A102-V148 HydrophobicContact CB-CG2 3.67Å
103	G	83.5	Confident	77.9	Confident	23 Å²	23	72.1 Å²	72.1	24%	0.237	38%	0.382	C	S	.	.	S	Bend	trans	85.3	-177.7	-178.9	0	0	0	0	0	113.8	Q139	G103-Q139 CarbonylContact C-O 3.53Å; G103-Q139 WeakPolarHBondContact CA-O 3.4Å
104	L	85.8	Confident	77.8	Confident	114 Å²	114	77.5 Å²	77.5	60%	0.597	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.1	125.5	-170.4	-69.4	167.2	0	0	0	111.6	Q139	L104-Q139 PolarHBondContact N-O 3.31Å; L104-Q139 PolarHBondContact O-N 2.68Å
105	F	89.6	Confident	78	Confident	12 Å²	12	82.9 Å²	82.9	5%	0.053	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	144.7	169.2	-67.7	-64.3	0	0	0	111.5	I71 L90 A92 W115 V123 V136 I137 W138 F150	I71-F105 HydrophobicContact CG1-CE1 4.3Å; L90-F105 HydrophobicContact CD2-CE1 3.9Å; L90-F105 HydrophobicContact CD2-CZ 3.93Å; L90-F105 HydrophobicContact CG-CE1 4.36Å; L90-F105 HydrophobicContact CG-CZ 3.86Å; A92-F105 HydrophobicContact CB-CE2 4.07Å; A92-F105 HydrophobicContact CB-CZ 3.81Å; F105-W115 HydrophobicContact CB-CH2 3.89Å; F105-W115 HydrophobicContact CB-CZ3 4.09Å; F105-W115 VanDerWaalsContact O-CH2 3.24Å; F105-W115 WeakPolarHBondContact O-CH2 3.02Å; F105-V123 HydrophobicContact CB-CG1 3.81Å; F105-V123 HydrophobicContact CD2-CG1 4.08Å; F105-V123 HydrophobicContact CD2-CG2 4.42Å; F105-V123 HydrophobicContact CG-CG1 4.05Å; F105-V123 HydrophobicContact CG-CG2 4.49Å; F105-V136 HydrophobicContact CB-CG2 4.15Å; F105-V136 HydrophobicContact CD1-CG1 3.67Å; F105-V136 HydrophobicContact CD1-CG2 4Å; F105-V136 HydrophobicContact CE1-CG1 3.81Å; F105-V136 HydrophobicContact CG-CG2 4.39Å; F105-I137 CarbonylContact C-O 3.56Å; F105-I137 WeakPolarHBondContact CA-O 3.07Å; F105-W138 HydrophobicContact CD1-CB 3.87Å; F105-W138 AromaticContact CD1-CD1 3.99Å; F105-W138 HydrophobicContact CD1-CG 4.34Å; F105-W138 HydrophobicContact CE1-CB 3.84Å; F105-W138 AromaticContact CE1-CD1 3.8Å; F105-W138 HydrophobicContact CE1-CG 4.12Å; F105-F150 HydrophobicContact CZ-CD1 4.46Å
106	Q	86.8	Confident	78.4	Confident	61 Å²	61	81.5 Å²	81.5	29%	0.285	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	120.8	173.1	-65	179.9	7.1	0	0	108.7	I137	Q106-I137 HydrophobicContact CB-CB 4.07Å; Q106-I137 HydrophobicContact CB-CG2 4.18Å; Q106-I137 PolarHBondContact N-O 2.84Å; Q106-I137 PolarHBondContact O-N 2.97Å
107	L	81.5	Confident	78.7	Confident	61 Å²	61	80.5 Å²	80.5	32%	0.319	41%	0.411	S	S	.	.			trans	-79.2	140.4	175.5	-68	159.2	0	0	0	109.7	I113 W115 V123	L107-I113 HydrophobicContact CD2-CB 3.69Å; L107-I113 HydrophobicContact CD2-CG2 3.39Å; L107-W115 VanDerWaalsContact CD1-CD1 3.44Å; L107-W115 HydrophobicContact CD1-CD2 4.02Å; L107-W115 HydrophobicContact CD1-CG 3.96Å; L107-W115 HydrophobicContact CD1-CZ2 4.15Å; L107-W115 HydrophobicContact CG-CZ2 4.48Å; L107-V123 HydrophobicContact CD2-CG1 4.49Å
108	K	70.6	Confident	78.8	Confident	112 Å²	112	80 Å²	80	49%	0.487	41%	0.408	S	S	.	.			trans	-86.3	147	165.7	-67.3	-177.9	178.5	179.7	0	108.8	D110 I137	K108-D110 PolarHBondContact O-N 3.39Å; K108-I137 HydrophobicContact CG-CD1 4.25Å
109	E	60.6	Low	79.4	Confident	204 Å²	204	74.4 Å²	74.4	95%	0.953	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-27	-172.5	-70	179.9	159	0	0	114.1
110	D	55.5	Low	79.8	Confident	170 Å²	170	75.5 Å²	75.5	91%	0.909	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	39.5	-175.8	-81.2	-28.7	0	0	0	115.3	K108	K108-D110 PolarHBondContact O-N 3.39Å
111	G	65.3	Low	80	Confident	35 Å²	35	72.2 Å²	72.2	36%	0.361	36%	0.362	S	S	.	.			trans	-96.6	142.1	-163.8	0	0	0	0	0	118.2	I113 S126	G111-I113 PolarHBondContact O-N 3.29Å; G111-S126 PolarHBondContact O-OG 2.68Å; G111-S126 VanDerWaalsContact O-OG 3.06Å
112	D	78.3	Confident	80.3	Confident	69 Å²	69	70.6 Å²	70.6	37%	0.369	35%	0.352	S	S	.	.	S	Bend	trans	-61.8	11.9	154.6	-92.5	-40.2	0	0	0	114.1	H125 S126 S127 K131	D112-H125 WeakPolarHBondContact O-CA 3.33Å; D112-S126 WeakPolarHBondContact CA-OG 3.5Å; D112-S126 PolarHBondContact O-N 2.98Å; D112-S126 PolarHBondContact O-OG 2.72Å; D112-S127 PolarHBondContact OD1-OG 3.17Å; D112-K131 HydrophobicContact CB-CD 3.85Å; D112-K131 VanDerWaalsContact CB-CE 3.41Å; D112-K131 WeakPolarHBondContact OD1-CE 3.28Å; D112-K131 WeakPolarHBondContact OD2-CE 3.41Å
113	I	88.2	Confident	80.7	Confident	23 Å²	23	70.6 Å²	70.6	12%	0.118	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	139.2	-168.1	-42.6	-174.7	0	0	0	109.4	F88 L107 G111 V123 T124 S126 V134 S135 V136	F88-I113 HydrophobicContact CZ-CB 4.4Å; F88-I113 HydrophobicContact CZ-CG1 4.03Å; F88-I113 HydrophobicContact CZ-CG2 4.08Å; L107-I113 HydrophobicContact CD2-CB 3.69Å; L107-I113 HydrophobicContact CD2-CG2 3.39Å; G111-I113 PolarHBondContact O-N 3.29Å; I113-V123 HydrophobicContact CG2-CB 3.75Å; I113-V123 HydrophobicContact CG2-CG1 4.38Å; I113-V123 HydrophobicContact CG2-CG2 4.2Å; I113-T124 CarbonylContact C-O 3.38Å; I113-T124 VanDerWaalsContact CA-O 3.32Å; I113-T124 WeakPolarHBondContact CA-O 3.45Å; I113-S126 PolarHBondContact N-OG 2.91Å; I113-V134 HydrophobicContact CD1-CG1 3.28Å; I113-V134 HydrophobicContact CG1-CG1 3.52Å; I113-S135 WeakPolarHBondContact CD1-O 3.09Å; I113-V136 HydrophobicContact CD1-CB 3.96Å; I113-V136 HydrophobicContact CD1-CG2 4.46Å
114	R	87.8	Confident	81	Confident	118 Å²	118	69.8 Å²	69.8	45%	0.445	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	166.6	169.4	64.6	178.3	-178.8	125.3	3.1	110.3	T124 H125	R114-T124 HydrophobicContact CG-CG2 3.78Å; R114-T124 PolarHBondContact N-O 3.03Å; R114-T124 PolarHBondContact O-N 2.97Å; R114-T124 VanDerWaalsContact O-O 3.1Å; R114-H125 WeakPolarHBondContact CG-O 3.36Å; R114-H125 PolarHBondContact NE-O 2.91Å
115	W	87.7	Confident	81.2	Confident	116 Å²	116	65 Å²	65	44%	0.439	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	139.9	168.7	-66.5	113.3	0	0	0	111.2	F105 L107 V123	F105-W115 HydrophobicContact CB-CH2 3.89Å; F105-W115 HydrophobicContact CB-CZ3 4.09Å; F105-W115 VanDerWaalsContact O-CH2 3.24Å; F105-W115 WeakPolarHBondContact O-CH2 3.02Å; L107-W115 VanDerWaalsContact CD1-CD1 3.44Å; L107-W115 HydrophobicContact CD1-CD2 4.02Å; L107-W115 HydrophobicContact CD1-CG 3.96Å; L107-W115 HydrophobicContact CD1-CZ2 4.15Å; L107-W115 HydrophobicContact CG-CZ2 4.48Å; W115-V123 HydrophobicContact CE3-CG1 3.85Å; W115-V123 HydrophobicContact CH2-CG1 4.47Å; W115-V123 HydrophobicContact CZ3-CG1 3.79Å
116	S	85.9	Confident	81.2	Confident	10 Å²	10	67.3 Å²	67.3	7%	0.07	33%	0.334	C	S	.	.			trans	-73.4	132.9	172.4	179.1	0	0	0	0	110.1	D118 C119 A122	S116-D118 VanDerWaalsContact C-N 3.34Å; S116-D118 PolarHBondContact OG-N 2.8Å; S116-C119 WeakPolarHBondContact CB-O 3.38Å; S116-C119 PolarHBondContact OG-N 3Å; S116-A122 WeakPolarHBondContact CB-O 3.04Å; S116-A122 PolarHBondContact N-O 2.88Å
117	V	82	Confident	81.2	Confident	118 Å²	118	65.5 Å²	65.5	72%	0.715	33%	0.328	S	S	*	.	S	Bend	trans	-75.8	-30.9	175.2	-176.6	0	0	0	0	110.5
118	D	79.3	Confident	81.4	Confident	66 Å²	66	66.1 Å²	66.1	35%	0.353	33%	0.331	S	S	.	.	S	Bend	trans	-86.5	-21.2	-174.6	-60.3	-51.2	0	0	0	112.5	D26 K31 S116	D26-D118 HydrophobicContact CB-CB 4.49Å; K31-D118 VanDerWaalsContact CE-OD1 3.28Å; K31-D118 WeakPolarHBondContact CE-OD1 3.08Å; K31-D118 IonicContact NZ-OD1 3.51Å; K31-D118 PolarHBondContact NZ-OD1 3.46Å; K31-D118 IonicContact NZ-OD2 3.15Å; S116-D118 VanDerWaalsContact C-N 3.34Å; S116-D118 PolarHBondContact OG-N 2.8Å
119	C	82.1	Confident	82.3	Confident	2 Å²	2	68.1 Å²	68.1	1%	0.014	34%	0.339	C	S	.	.	S	Bend	trans	-142.4	100.5	175.1	-172.9	0	0	0	0	110.2	C25 S116 H121 A122	C25-C119 HydrophobicContact CB-CB 3.96Å; C25-C119 WeakPolarHBondContact CB-SG 3.21Å; C25-C119 WeakPolarHBondContact SG-CB 3.38Å; C25-C119 CovalentContact SG-SG 2.03Å; C25-C119 PolarHBondContact SG-SG 2.88Å; S116-C119 WeakPolarHBondContact CB-O 3.38Å; S116-C119 PolarHBondContact OG-N 3Å; C119-H121 PolarHBondContact O-N 2.02Å; C119-H121 PolarHBondContact SG-CE1 3.1Å; C119-H121 PolarHBondContact SG-NE2 3.46Å; C119-A122 HydrophobicContact CB-CB 3.91Å; C119-A122 PolarHBondContact O-N 2.75Å
120	W	80.7	Confident	83.6	Confident	143 Å²	143	62 Å²	62	54%	0.542	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-24.8	-167.4	74.1	-88.1	0	0	0	115	P101	P101-W120 HydrophobicContact CG-CH2 4.17Å; P101-W120 HydrophobicContact CG-CZ2 3.89Å
121	H	83.1	Confident	85.2	Confident	25 Å²	25	54.3 Å²	54.3	12%	0.116	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	1	-179.9	56.4	-90	0	0	0	113.3	P101 C119	P101-H121 HydrophobicContact CB-CB 3.7Å; P101-H121 HydrophobicContact CG-CB 4.25Å; C119-H121 PolarHBondContact O-N 2.02Å; C119-H121 PolarHBondContact SG-CE1 3.1Å; C119-H121 PolarHBondContact SG-NE2 3.46Å
122	A	88.5	Confident	86.2	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.275	C	S	.	.			trans	-102.9	152.3	177.9	0	0	0	0	0	111.5	T89 L90 A91 S116 C119	T89-A122 HydrophobicContact CG2-CB 3.97Å; L90-A122 CarbonylContact O-C 3.56Å; L90-A122 VanDerWaalsContact O-CA 3.25Å; L90-A122 WeakPolarHBondContact O-CA 3.49Å; L90-A122 WeakPolarHBondContact O-CB 3.43Å; A91-A122 HydrophobicContact CB-CB 4.11Å; S116-A122 WeakPolarHBondContact CB-O 3.04Å; S116-A122 PolarHBondContact N-O 2.88Å; C119-A122 HydrophobicContact CB-CB 3.91Å; C119-A122 PolarHBondContact O-N 2.75Å
123	V	90.9	Very high	86.8	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	145.9	171.3	-63.8	0	0	0	0	110.3	F88 T89 L90 F105 L107 I113 W115 V136	F88-V123 HydrophobicContact CE2-CG2 4.5Å; T89-V123 CarbonylContact C-O 3.58Å; T89-V123 VanDerWaalsContact CA-O 3.29Å; T89-V123 WeakPolarHBondContact CA-O 3.48Å; L90-V123 HydrophobicContact CB-CG2 3.87Å; L90-V123 HydrophobicContact CD2-CG2 4.38Å; L90-V123 PolarHBondContact N-O 2.92Å; L90-V123 PolarHBondContact O-N 2.78Å; F105-V123 HydrophobicContact CB-CG1 3.81Å; F105-V123 HydrophobicContact CD2-CG1 4.08Å; F105-V123 HydrophobicContact CD2-CG2 4.42Å; F105-V123 HydrophobicContact CG-CG1 4.05Å; F105-V123 HydrophobicContact CG-CG2 4.49Å; L107-V123 HydrophobicContact CD2-CG1 4.49Å; I113-V123 HydrophobicContact CG2-CB 3.75Å; I113-V123 HydrophobicContact CG2-CG1 4.38Å; I113-V123 HydrophobicContact CG2-CG2 4.2Å; W115-V123 HydrophobicContact CE3-CG1 3.85Å; W115-V123 HydrophobicContact CH2-CG1 4.47Å; W115-V123 HydrophobicContact CZ3-CG1 3.79Å; V123-V136 HydrophobicContact CG2-CG1 4.32Å; V123-V136 HydrophobicContact CG2-CG2 4.46Å
124	T	91.4	Very high	86.9	Confident	7 Å²	7	55 Å²	55	4%	0.043	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	175.5	-178.7	-166.7	0	0	0	0	110.9	F88 I113 R114	F88-T124 VanDerWaalsContact O-CA 3.27Å; F88-T124 WeakPolarHBondContact O-CA 3.39Å; F88-T124 WeakPolarHBondContact O-CB 3.14Å; F88-T124 PolarHBondContact O-OG1 3.04Å; I113-T124 CarbonylContact C-O 3.38Å; I113-T124 VanDerWaalsContact CA-O 3.32Å; I113-T124 WeakPolarHBondContact CA-O 3.45Å; R114-T124 HydrophobicContact CG-CG2 3.78Å; R114-T124 PolarHBondContact N-O 3.03Å; R114-T124 PolarHBondContact O-N 2.97Å; R114-T124 VanDerWaalsContact O-O 3.1Å
125	H	90.4	Very high	87	Confident	14 Å²	14	51.6 Å²	51.6	7%	0.065	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	139.7	178.1	60.5	-69.6	0	0	0	113	P29 F88 D112 R114 M128	P29-H125 PolarHBondContact O-CE1 3.46Å; F88-H125 HydrophobicContact CD1-CB 3.83Å; F88-H125 HydrophobicContact CE1-CB 3.72Å; F88-H125 PolarHBondContact N-ND1 2.78Å; F88-H125 PolarHBondContact O-N 3.18Å; F88-H125 PolarHBondContact O-ND1 2.74Å; D112-H125 WeakPolarHBondContact O-CA 3.33Å; R114-H125 WeakPolarHBondContact CG-O 3.36Å; R114-H125 PolarHBondContact NE-O 2.91Å; H125-M128 WeakPolarHBondContact NE2-CE 3.05Å
126	S	88.1	Confident	87.2	Confident	59 Å²	59	46.3 Å²	46.3	41%	0.413	25%	0.253	S	S	.	.	S	Bend	trans	-88.2	-30.4	171.1	64.6	0	0	0	0	112.5	G111 D112 I113	G111-S126 PolarHBondContact O-OG 2.68Å; G111-S126 VanDerWaalsContact O-OG 3.06Å; D112-S126 WeakPolarHBondContact CA-OG 3.5Å; D112-S126 PolarHBondContact O-N 2.98Å; D112-S126 PolarHBondContact O-OG 2.72Å; I113-S126 PolarHBondContact N-OG 2.91Å
127	S	87	Confident	87.3	Confident	23 Å²	23	46.3 Å²	46.3	16%	0.161	25%	0.252	C	S	.	.			trans	-127.7	156.5	-178.6	81.8	0	0	0	0	111.5	D112 K131	D112-S127 PolarHBondContact OD1-OG 3.17Å; S127-K131 PolarHBondContact O-NZ 3.05Å; S127-K131 PolarHBondContact OG-NZ 2.82Å
128	M	86.5	Confident	87.8	Confident	75 Å²	75	40.7 Å²	40.7	37%	0.369	22%	0.218	S	C	.	.			trans	-95	12.4	174.2	-78	-68.2	-158.8	0	0	113.6	L30 R86 H125 L155	L30-M128 HydrophobicContact CD1-CE 3.77Å; L30-M128 HydrophobicContact CD2-CE 3.62Å; L30-M128 HydrophobicContact CG-CE 3.71Å; R86-M128 HydrophobicContact CB-SD 4.19Å; H125-M128 WeakPolarHBondContact NE2-CE 3.05Å; M128-L155 HydrophobicContact CE-CD2 3.76Å; M128-L155 HydrophobicContact SD-CD2 4Å
129	F	88.9	Confident	88.2	Confident	153 Å²	153	40.4 Å²	40.4	67%	0.671	21%	0.214	S	C	*	.	S	Bend	trans	-65.3	142.2	175.3	-67.7	-65.5	0	0	0	110.4	K131	F129-K131 WeakPolarHBondContact O-CG 3.39Å; F129-K131 PolarHBondContact O-N 3.18Å; F129-K131 PolarHBondContact O-NZ 3.22Å
130	P	88.4	Confident	88.4	Confident	76 Å²	76	40.5 Å²	40.5	49%	0.494	22%	0.215	S	C	.	.			trans	-60.6	129.1	175.7	-22.7	33.6	0	0	0	111.9	R86	R86-P130 HydrophobicContact CG-CG 4.47Å
131	K	88.9	Confident	88.4	Confident	8 Å²	8	33.7 Å²	33.7	4%	0.035	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-120.7	137.3	-178.2	-62	166.6	-164.6	69.9	0	109.4	T84 F85 R86 D112 S127 F129 V134	T84-K131 CarbonylContact C-O 3.49Å; T84-K131 WeakPolarHBondContact CA-O 3.49Å; T84-K131 WeakPolarHBondContact CB-O 3.23Å; F85-K131 WeakPolarHBondContact CD1-O 3.48Å; F85-K131 HydrophobicContact CE2-CB 4.36Å; F85-K131 HydrophobicContact CZ-CB 4.37Å; F85-K131 PolarHBondContact N-O 2.64Å; F85-K131 PolarHBondContact O-N 3.11Å; R86-K131 PolarHBondContact O-NZ 2.85Å; D112-K131 HydrophobicContact CB-CD 3.85Å; D112-K131 VanDerWaalsContact CB-CE 3.41Å; D112-K131 WeakPolarHBondContact OD1-CE 3.28Å; D112-K131 WeakPolarHBondContact OD2-CE 3.41Å; S127-K131 PolarHBondContact O-NZ 3.05Å; S127-K131 PolarHBondContact OG-NZ 2.82Å; F129-K131 WeakPolarHBondContact O-CG 3.39Å; F129-K131 PolarHBondContact O-N 3.18Å; F129-K131 PolarHBondContact O-NZ 3.22Å; K131-V134 HydrophobicContact CB-CG2 4.23Å; K131-V134 HydrophobicContact CD-CG2 3.58Å; K131-V134 HydrophobicContact CG-CG2 4.43Å
132	A	86.8	Confident	87.6	Confident	41 Å²	41	36.4 Å²	36.4	34%	0.339	21%	0.209	S	C	.	.	S	Bend	trans	-80.3	-38.7	174.1	0	0	0	0	0	112	G75 I82	G75-A132 PolarHBondContact N-O 2.94Å; I82-A132 HydrophobicContact CG2-CB 3.55Å
133	N	90	Very high	86.4	Confident	89 Å²	89	43.3 Å²	43.3	48%	0.476	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	161.9	174.6	62.8	21.5	0	0	0	110.7	V72 I73 Q74	V72-N133 HydrophobicContact CG1-CB 4.18Å; I73-N133 CarbonylContact O-C 3.57Å; I73-N133 WeakPolarHBondContact O-CA 3.17Å; I73-N133 WeakPolarHBondContact O-CB 3.13Å; Q74-N133 HydrophobicContact CB-CB 3.7Å
134	V	90.8	Very high	85.1	Confident	11 Å²	11	47.3 Å²	47.3	7%	0.067	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	134.2	172.4	174.1	0	0	0	0	108.2	V72 I73 F85 F88 I113 K131	V72-V134 CarbonylContact C-O 3.47Å; V72-V134 VanDerWaalsContact CA-O 3.3Å; V72-V134 WeakPolarHBondContact CA-O 3.25Å; I73-V134 PolarHBondContact N-O 2.87Å; I73-V134 PolarHBondContact O-N 2.75Å; F85-V134 HydrophobicContact CE2-CG2 3.83Å; F85-V134 HydrophobicContact CZ-CB 4.14Å; F85-V134 HydrophobicContact CZ-CG2 3.71Å; F88-V134 HydrophobicContact CD1-CG2 4.14Å; F88-V134 HydrophobicContact CE1-CB 4.17Å; F88-V134 HydrophobicContact CE1-CG1 3.84Å; F88-V134 HydrophobicContact CE1-CG2 3.76Å; F88-V134 HydrophobicContact CE2-CG1 4.11Å; F88-V134 HydrophobicContact CZ-CB 4.27Å; F88-V134 HydrophobicContact CZ-CG1 3.54Å; F88-V134 HydrophobicContact CZ-CG2 4.33Å; I113-V134 HydrophobicContact CD1-CG1 3.28Å; I113-V134 HydrophobicContact CG1-CG1 3.52Å; K131-V134 HydrophobicContact CB-CG2 4.23Å; K131-V134 HydrophobicContact CD-CG2 3.58Å; K131-V134 HydrophobicContact CG-CG2 4.43Å
135	S	89.8	Confident	83.8	Confident	47 Å²	47	49.9 Å²	49.9	33%	0.329	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	131	178.9	68.4	0	0	0	0	111.8	I71 I113	I71-S135 CarbonylContact O-C 3.47Å; I71-S135 VanDerWaalsContact O-CA 3.28Å; I71-S135 WeakPolarHBondContact O-CA 3.34Å; I113-S135 WeakPolarHBondContact CD1-O 3.09Å
136	V	90.8	Very high	83	Confident	6 Å²	6	50.3 Å²	50.3	4%	0.036	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	148.9	174.1	66.6	0	0	0	0	110.1	I71 L90 F105 I113 V123	I71-V136 HydrophobicContact CB-CG1 4.11Å; I71-V136 PolarHBondContact N-O 2.87Å; I71-V136 PolarHBondContact O-N 2.82Å; L90-V136 HydrophobicContact CD2-CG1 3.68Å; F105-V136 HydrophobicContact CB-CG2 4.15Å; F105-V136 HydrophobicContact CD1-CG1 3.67Å; F105-V136 HydrophobicContact CD1-CG2 4Å; F105-V136 HydrophobicContact CE1-CG1 3.81Å; F105-V136 HydrophobicContact CG-CG2 4.39Å; I113-V136 HydrophobicContact CD1-CB 3.96Å; I113-V136 HydrophobicContact CD1-CG2 4.46Å; V123-V136 HydrophobicContact CG2-CG1 4.32Å; V123-V136 HydrophobicContact CG2-CG2 4.46Å
137	I	89.8	Confident	82.8	Confident	10 Å²	10	48.7 Å²	48.7	5%	0.051	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	130.2	173.6	-62.5	169.2	0	0	0	107.5	Y51 K68 Y69 F105 Q106 K108	Y51-I137 HydrophobicContact CD2-CD1 4.24Å; Y51-I137 HydrophobicContact CD2-CG1 4.11Å; Y51-I137 HydrophobicContact CE2-CD1 3.53Å; Y51-I137 HydrophobicContact CE2-CG1 3.91Å; K68-I137 HydrophobicContact CB-CG2 4.19Å; K68-I137 HydrophobicContact CD-CG2 4.1Å; K68-I137 HydrophobicContact CG-CG2 4.39Å; Y69-I137 CarbonylContact O-C 3.53Å; Y69-I137 WeakPolarHBondContact O-CA 3.31Å; F105-I137 CarbonylContact C-O 3.56Å; F105-I137 WeakPolarHBondContact CA-O 3.07Å; Q106-I137 HydrophobicContact CB-CB 4.07Å; Q106-I137 HydrophobicContact CB-CG2 4.18Å; Q106-I137 PolarHBondContact N-O 2.84Å; Q106-I137 PolarHBondContact O-N 2.97Å; K108-I137 HydrophobicContact CG-CD1 4.25Å
138	W	91.6	Very high	82.9	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	129.8	171.9	173.4	77.6	0	0	0	109.2	Y63 K68 Y69 I71 A102 F105 A140 V148 F150 L172	Y63-W138 HydrophobicContact CD1-CH2 4.35Å; Y63-W138 HydrophobicContact CD2-CH2 4.26Å; Y63-W138 HydrophobicContact CG-CH2 4.09Å; Y63-W138 HydrophobicContact CG-CZ3 4.39Å; K68-W138 CarbonylContact C-O 3.2Å; K68-W138 WeakPolarHBondContact CA-O 3.44Å; Y69-W138 AromaticContact CD2-CE3 3.77Å; Y69-W138 HydrophobicContact CD2-CE3 3.77Å; Y69-W138 AromaticContact CD2-CZ3 3.68Å; Y69-W138 HydrophobicContact CD2-CZ3 3.68Å; Y69-W138 HydrophobicContact CE2-CZ3 4.28Å; Y69-W138 HydrophobicContact CG-CE3 4.36Å; Y69-W138 HydrophobicContact CG-CZ3 4.49Å; Y69-W138 PolarHBondContact N-O 2.78Å; Y69-W138 PolarHBondContact O-N 2.8Å; I71-W138 HydrophobicContact CD1-CB 4.11Å; I71-W138 HydrophobicContact CD1-CE3 4.44Å; I71-W138 HydrophobicContact CG1-CB 3.55Å; I71-W138 HydrophobicContact CG1-CG 4.34Å; A102-W138 PolarHBondContact O-NE1 2.04Å; F105-W138 HydrophobicContact CD1-CB 3.87Å; F105-W138 AromaticContact CD1-CD1 3.99Å; F105-W138 HydrophobicContact CD1-CG 4.34Å; F105-W138 HydrophobicContact CE1-CB 3.84Å; F105-W138 AromaticContact CE1-CD1 3.8Å; F105-W138 HydrophobicContact CE1-CG 4.12Å; W138-A140 HydrophobicContact CE3-CB 4.4Å; W138-A140 HydrophobicContact CH2-CB 3.58Å; W138-A140 HydrophobicContact CZ2-CB 4.17Å; W138-A140 HydrophobicContact CZ3-CB 3.71Å; W138-V148 HydrophobicContact CH2-CB 4.36Å; W138-V148 HydrophobicContact CH2-CG1 4.41Å; W138-V148 HydrophobicContact CH2-CG2 4.14Å; W138-V148 HydrophobicContact CZ2-CB 4.17Å; W138-V148 HydrophobicContact CZ2-CG1 3.82Å; W138-V148 HydrophobicContact CZ2-CG2 3.92Å; W138-F150 HydrophobicContact CB-CE1 4.48Å; W138-F150 AromaticContact CD1-CE1 3.98Å; W138-F150 AromaticContact CD2-CE1 3.75Å; W138-F150 HydrophobicContact CD2-CE1 3.75Å; W138-F150 AromaticContact CD2-CZ 3.6Å; W138-F150 HydrophobicContact CD2-CZ 3.6Å; W138-F150 AromaticContact CE2-CE1 3.83Å; W138-F150 AromaticContact CE2-CZ 3.75Å; W138-F150 HydrophobicContact CE3-CE1 4.25Å; W138-F150 AromaticContact CE3-CZ 3.65Å; W138-F150 HydrophobicContact CE3-CZ 3.65Å; W138-F150 AromaticContact CG-CE1 3.85Å; W138-F150 HydrophobicContact CG-CE1 3.85Å; W138-F150 HydrophobicContact CG-CZ 4.18Å; W138-F150 AromaticContact CH2-CZ 3.97Å; W138-F150 HydrophobicContact CH2-CZ 3.97Å; W138-F150 HydrophobicContact CZ2-CE1 4.38Å; W138-F150 AromaticContact CZ2-CZ 3.94Å; W138-F150 HydrophobicContact CZ2-CZ 3.94Å; W138-F150 AromaticContact CZ3-CZ 3.83Å; W138-F150 HydrophobicContact CZ3-CZ 3.83Å; W138-F150 AromaticContact NE1-CE1 3.97Å; W138-L172 HydrophobicContact CZ3-CD2 4.35Å
139	Q	87.5	Confident	83.1	Confident	60 Å²	60	44.8 Å²	44.8	28%	0.28	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	120.5	172.4	-176	171	0.7	0	0	108.8	K68 G103 L104	K68-Q139 HydrophobicContact CG-CB 4.34Å; K68-Q139 HydrophobicContact CG-CG 4.38Å; G103-Q139 CarbonylContact C-O 3.53Å; G103-Q139 WeakPolarHBondContact CA-O 3.4Å; L104-Q139 PolarHBondContact N-O 3.31Å; L104-Q139 PolarHBondContact O-N 2.68Å
140	A	85.7	Confident	83.3	Confident	3 Å²	3	37.5 Å²	37.5	3%	0.025	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-61.4	151.8	179.3	0	0	0	0	0	111.9	Y63 I64 G66 E67 Y69 W138	Y63-A140 HydrophobicContact CD2-CB 3.54Å; Y63-A140 HydrophobicContact CE2-CB 4.04Å; Y63-A140 HydrophobicContact CG-CB 4.36Å; I64-A140 WeakPolarHBondContact O-CB 3.27Å; G66-A140 VanDerWaalsContact CA-O 3.26Å; G66-A140 WeakPolarHBondContact CA-O 3.35Å; G66-A140 PolarHBondContact N-O 3.38Å; E67-A140 WeakPolarHBondContact O-CB 3.44Å; E67-A140 PolarHBondContact O-N 3.29Å; Y69-A140 HydrophobicContact CE2-CB 4.43Å; W138-A140 HydrophobicContact CE3-CB 4.4Å; W138-A140 HydrophobicContact CH2-CB 3.58Å; W138-A140 HydrophobicContact CZ2-CB 4.17Å; W138-A140 HydrophobicContact CZ3-CB 3.71Å
141	P	80.6	Confident	83.5	Confident	1 Å²	1	35 Å²	35	1%	0.006	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-51.1	141.6	172.1	-22.5	28.8	0	0	0	111.6	P65 G66 A102 H143 E145 V148	P65-P141 CarbonylContact C-O 3.53Å; P65-P141 WeakPolarHBondContact CA-O 3Å; P65-P141 WeakPolarHBondContact CB-O 3.28Å; G66-P141 PolarHBondContact N-O 3.33Å; A102-P141 HydrophobicContact CB-CG 4.18Å; P141-H143 VanDerWaalsContact C-N 3.29Å; P141-H143 PolarHBondContact O-N 2.91Å; P141-E145 HydrophobicContact CB-CG 4.41Å; P141-E145 WeakPolarHBondContact CG-OE2 3.37Å; P141-V148 HydrophobicContact CG-CG2 4.38Å
142	P	67	Low	83.7	Confident	82 Å²	82	34.6 Å²	34.6	53%	0.532	20%	0.197	S	C	.	.	S	Bend	trans	-73.6	-21.3	179.9	29.2	-33.8	0	0	0	113.2
143	H	64.5	Low	84	Confident	144 Å²	144	32.6 Å²	32.6	67%	0.667	18%	0.181	S	C	*	.	S	Bend	trans	-112.5	164.5	179.2	-64.6	-68.5	0	0	0	111.2	P141 E145	P141-H143 VanDerWaalsContact C-N 3.29Å; P141-H143 PolarHBondContact O-N 2.91Å; H143-E145 PolarHBondContact O-N 3.02Å; H143-E145 VanDerWaalsContact O-N 3.09Å
144	D	61.8	Low	84.1	Confident	85 Å²	85	28.4 Å²	28.4	46%	0.455	16%	0.159	S	C	.	.			trans	-74.3	98	178.1	-170.7	5.1	0	0	0	110.6	G146 I174	D144-G146 WeakPolarHBondContact OD1-CA 3.47Å; D144-G146 PolarHBondContact OD1-N 3.01Å; D144-I174 HydrophobicContact CB-CD1 4.41Å
145	E	65.3	Low	84.1	Confident	61 Å²	61	28 Å²	28	29%	0.285	16%	0.156	S	C	.	.			trans	-98.5	10.2	170.1	-70.3	170.3	-164.6	0	0	111.6	P141 H143 C147	P141-E145 HydrophobicContact CB-CG 4.41Å; P141-E145 WeakPolarHBondContact CG-OE2 3.37Å; H143-E145 PolarHBondContact O-N 3.02Å; H143-E145 VanDerWaalsContact O-N 3.09Å; E145-C147 PolarHBondContact O-N 3.37Å
146	G	73.4	Confident	84.1	Confident	22 Å²	22	26.8 Å²	26.8	23%	0.227	15%	0.145	C	C	.	.			trans	79.8	-97.3	179.6	0	0	0	0	0	114.1	Y63 D144 I174	Y63-G146 PolarHBondContact OH-O 3.04Å; D144-G146 WeakPolarHBondContact OD1-CA 3.47Å; D144-G146 PolarHBondContact OD1-N 3.01Å; G146-I174 PolarHBondContact O-N 2.88Å
147	C	84.7	Confident	83.7	Confident	26 Å²	26	32 Å²	32	18%	0.176	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	136.6	-173.4	-58.7	0	0	0	0	112.1	S95 E145 K171 C173	S95-C147 VanDerWaalsContact CB-O 3.28Å; S95-C147 WeakPolarHBondContact CB-O 3.48Å; S95-C147 PolarHBondContact N-O 2.82Å; S95-C147 VanDerWaalsContact OG-C 3.3Å; S95-C147 VanDerWaalsContact OG-CB 3.24Å; S95-C147 WeakPolarHBondContact OG-CB 3.44Å; S95-C147 PolarHBondContact OG-O 3.01Å; E145-C147 PolarHBondContact O-N 3.37Å; C147-K171 HydrophobicContact CB-CG 4.33Å; C147-C173 HydrophobicContact CB-CB 4.02Å; C147-C173 WeakPolarHBondContact CB-SG 3.23Å; C147-C173 WeakPolarHBondContact SG-CB 3.3Å; C147-C173 CovalentContact SG-SG 2.03Å; C147-C173 PolarHBondContact SG-SG 3.38Å
148	V	88.8	Confident	83.1	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	137.5	177.3	-179.1	0	0	0	0	109.7	Y63 A92 A102 W138 P141 F150 K171 L172	Y63-V148 HydrophobicContact CE1-CB 4.44Å; Y63-V148 HydrophobicContact CE1-CG2 3.83Å; A92-V148 HydrophobicContact CB-CG1 4.03Å; A102-V148 HydrophobicContact CB-CB 4.34Å; A102-V148 HydrophobicContact CB-CG1 3.96Å; A102-V148 HydrophobicContact CB-CG2 3.67Å; W138-V148 HydrophobicContact CH2-CB 4.36Å; W138-V148 HydrophobicContact CH2-CG1 4.41Å; W138-V148 HydrophobicContact CH2-CG2 4.14Å; W138-V148 HydrophobicContact CZ2-CB 4.17Å; W138-V148 HydrophobicContact CZ2-CG1 3.82Å; W138-V148 HydrophobicContact CZ2-CG2 3.92Å; P141-V148 HydrophobicContact CG-CG2 4.38Å; V148-F150 HydrophobicContact CG1-CE1 4.38Å; V148-F150 HydrophobicContact CG1-CE2 4.39Å; V148-F150 HydrophobicContact CG1-CZ 4.15Å; V148-K171 CarbonylContact O-C 3.6Å; V148-K171 WeakPolarHBondContact O-CA 3.16Å; V148-L172 PolarHBondContact N-O 3.16Å; V148-L172 PolarHBondContact O-N 2.82Å
149	T	90.6	Very high	82.6	Confident	16 Å²	16	40.4 Å²	40.4	10%	0.098	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	118	173.8	55.1	0	0	0	0	109.8	L93 K171	L93-T149 PolarHBondContact N-O 2.83Å; L93-T149 PolarHBondContact O-N 2.89Å; L93-T149 PolarHBondContact O-OG1 3.41Å; T149-K171 HydrophobicContact CG2-CB 4.12Å; T149-K171 HydrophobicContact CG2-CD 4.38Å; T149-K171 HydrophobicContact CG2-CG 3.95Å
150	F	93	Very high	82.6	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	117.5	170.1	-60.7	-77.1	0	0	0	108.2	V46 V48 I71 L90 A91 A92 F105 W138 V148 T169 K170 L172	V46-F150 HydrophobicContact CG1-CB 3.93Å; V48-F150 HydrophobicContact CG2-CD2 4.13Å; V48-F150 HydrophobicContact CG2-CE2 3.97Å; I71-F150 HydrophobicContact CD1-CD1 4.29Å; I71-F150 HydrophobicContact CD1-CE1 3.71Å; I71-F150 HydrophobicContact CD1-CE2 4.05Å; I71-F150 HydrophobicContact CD1-CZ 3.58Å; I71-F150 HydrophobicContact CG1-CD1 4.31Å; I71-F150 HydrophobicContact CG1-CE1 3.89Å; I71-F150 HydrophobicContact CG1-CZ 4.28Å; I71-F150 HydrophobicContact CG2-CD1 4.34Å; L90-F150 HydrophobicContact CD1-CB 4.37Å; A91-F150 WeakPolarHBondContact O-CA 3.28Å; A92-F150 HydrophobicContact CB-CD1 3.8Å; A92-F150 HydrophobicContact CB-CE1 3.72Å; F105-F150 HydrophobicContact CZ-CD1 4.46Å; W138-F150 HydrophobicContact CB-CE1 4.48Å; W138-F150 AromaticContact CD1-CE1 3.98Å; W138-F150 AromaticContact CD2-CE1 3.75Å; W138-F150 HydrophobicContact CD2-CE1 3.75Å; W138-F150 AromaticContact CD2-CZ 3.6Å; W138-F150 HydrophobicContact CD2-CZ 3.6Å; W138-F150 AromaticContact CE2-CE1 3.83Å; W138-F150 AromaticContact CE2-CZ 3.75Å; W138-F150 HydrophobicContact CE3-CE1 4.25Å; W138-F150 AromaticContact CE3-CZ 3.65Å; W138-F150 HydrophobicContact CE3-CZ 3.65Å; W138-F150 AromaticContact CG-CE1 3.85Å; W138-F150 HydrophobicContact CG-CE1 3.85Å; W138-F150 HydrophobicContact CG-CZ 4.18Å; W138-F150 AromaticContact CH2-CZ 3.97Å; W138-F150 HydrophobicContact CH2-CZ 3.97Å; W138-F150 HydrophobicContact CZ2-CE1 4.38Å; W138-F150 AromaticContact CZ2-CZ 3.94Å; W138-F150 HydrophobicContact CZ2-CZ 3.94Å; W138-F150 AromaticContact CZ3-CZ 3.83Å; W138-F150 HydrophobicContact CZ3-CZ 3.83Å; W138-F150 AromaticContact NE1-CE1 3.97Å; V148-F150 HydrophobicContact CG1-CE1 4.38Å; V148-F150 HydrophobicContact CG1-CE2 4.39Å; V148-F150 HydrophobicContact CG1-CZ 4.15Å; F150-T169 CarbonylContact O-C 3.51Å; F150-T169 VanDerWaalsContact O-CA 3.28Å; F150-T169 WeakPolarHBondContact O-CA 3.37Å; F150-K170 WeakPolarHBondContact CD2-O 3.28Å; F150-K170 PolarHBondContact N-O 3.46Å; F150-K170 PolarHBondContact O-N 3.15Å; F150-L172 HydrophobicContact CE2-CB 4.06Å; F150-L172 HydrophobicContact CE2-CD2 4.09Å
151	K	92.3	Very high	82.8	Confident	22 Å²	22	41.8 Å²	41.8	10%	0.096	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	119.2	177.5	-64.2	-165.8	-177.9	-178.5	0	110	R27 A91 L93 E98 T169	R27-K151 PolarHBondContact NH1-O 2.9Å; A91-K151 PolarHBondContact N-O 3.06Å; A91-K151 VanDerWaalsContact N-O 3.08Å; A91-K151 PolarHBondContact O-N 3.32Å; L93-K151 HydrophobicContact CD1-CD 4.08Å; L93-K151 HydrophobicContact CD1-CG 4.46Å; E98-K151 IonicContact OE1-NZ 3.19Å; E98-K151 PolarHBondContact OE1-NZ 3.35Å; E98-K151 IonicContact OE2-NZ 2.59Å; E98-K151 PolarHBondContact OE2-NZ 3.31Å; K151-T169 HydrophobicContact CG-CG2 4.32Å
152	A	93.3	Very high	83.4	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	145.7	-179.3	0	0	0	0	0	112.8	V46 I73 T89 L90 M163 D164 L168	V46-A152 HydrophobicContact CG2-CB 3.47Å; V46-A152 VanDerWaalsContact CG2-CB 3.47Å; I73-A152 HydrophobicContact CD1-CB 3.96Å; I73-A152 HydrophobicContact CG1-CB 4.33Å; T89-A152 CarbonylContact O-C 3.5Å; T89-A152 VanDerWaalsContact O-CA 3.31Å; T89-A152 WeakPolarHBondContact O-CA 3.35Å; L90-A152 HydrophobicContact CD1-CB 4.04Å; A152-M163 WeakPolarHBondContact O-CA 2.94Å; A152-D164 PolarHBondContact O-N 2.81Å; A152-L168 HydrophobicContact CB-CB 4.44Å; A152-L168 HydrophobicContact CB-CD2 3.91Å; A152-L168 PolarHBondContact N-O 3.3Å
153	A	92.7	Very high	84.5	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	136.3	166.2	0	0	0	0	0	109.4	R27 P29 F88 T89 Y162 M163	R27-A153 WeakPolarHBondContact O-CB 3.17Å; P29-A153 HydrophobicContact CG-CB 4.04Å; F88-A153 CarbonylContact C-O 3.4Å; F88-A153 WeakPolarHBondContact CA-O 3.09Å; F88-A153 WeakPolarHBondContact CB-O 2.97Å; T89-A153 PolarHBondContact N-O 3.37Å; T89-A153 PolarHBondContact O-N 2.92Å; A153-Y162 CarbonylContact C-O 3.47Å; A153-Y162 VanDerWaalsContact CA-O 3.23Å; A153-Y162 WeakPolarHBondContact CA-O 3.07Å; A153-M163 HydrophobicContact CB-CB 3.87Å; A153-M163 HydrophobicContact CB-CE 3.5Å; A153-M163 VanDerWaalsContact CB-CE 3.5Å; A153-M163 HydrophobicContact CB-CG 3.96Å
154	V	92.5	Very high	85.5	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	130.5	-173.7	179.6	0	0	0	0	109.9	F44 I73 F85 F88 W161 Y162 L168	F44-V154 HydrophobicContact CB-CG2 4.38Å; F44-V154 HydrophobicContact CD1-CG1 4.09Å; F44-V154 HydrophobicContact CD2-CB 4.26Å; F44-V154 HydrophobicContact CD2-CG1 3.85Å; F44-V154 HydrophobicContact CE1-CG1 4.17Å; F44-V154 HydrophobicContact CE2-CG1 3.94Å; F44-V154 HydrophobicContact CG-CB 4.39Å; F44-V154 HydrophobicContact CG-CG1 3.95Å; F44-V154 HydrophobicContact CG-CG2 4.49Å; F44-V154 HydrophobicContact CZ-CG1 4.1Å; I73-V154 HydrophobicContact CG2-CG2 3.87Å; F85-V154 HydrophobicContact CB-CG1 3.27Å; F85-V154 HydrophobicContact CD1-CG1 4.21Å; F85-V154 HydrophobicContact CD2-CG1 3.97Å; F85-V154 HydrophobicContact CG-CG1 3.57Å; F88-V154 HydrophobicContact CB-CG2 4.48Å; V154-W161 CarbonylContact O-C 3.55Å; V154-W161 WeakPolarHBondContact O-CA 3.37Å; V154-W161 WeakPolarHBondContact O-CB 3.27Å; V154-Y162 PolarHBondContact N-O 3.18Å; V154-Y162 PolarHBondContact O-N 2.97Å; V154-L168 HydrophobicContact CG2-CD2 3.63Å
155	L	91.3	Very high	86.8	Confident	3 Å²	3	33.3 Å²	33.3	2%	0.016	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	114.5	176.1	174.1	79.6	0	0	0	109.6	P29 L30 R86 G87 M128 Y157 W161	P29-L155 HydrophobicContact CB-CB 3.65Å; P29-L155 HydrophobicContact CB-CD2 4.48Å; P29-L155 HydrophobicContact CG-CB 3.97Å; L30-L155 HydrophobicContact CD1-CD1 3.93Å; L30-L155 HydrophobicContact CD1-CD2 3.27Å; L30-L155 HydrophobicContact CD1-CG 4.24Å; L30-L155 HydrophobicContact CG-CD2 3.89Å; R86-L155 PolarHBondContact N-O 2.81Å; G87-L155 PolarHBondContact N-O 3.01Å; G87-L155 VanDerWaalsContact N-O 3.16Å; G87-L155 PolarHBondContact O-N 3.44Å; M128-L155 HydrophobicContact CE-CD2 3.76Å; M128-L155 HydrophobicContact SD-CD2 4Å; L155-Y157 WeakPolarHBondContact CD1-O 3.05Å; L155-W161 HydrophobicContact CB-CB 4.43Å; L155-W161 HydrophobicContact CD1-CB 3.96Å
156	E	88.8	Confident	87.8	Confident	22 Å²	22	36 Å²	36	10%	0.103	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-51.6	179.3	-163.2	-176.1	155.7	0	0	111	N42 F44 Q83 R86 I160 Y162	N42-E156 PolarHBondContact ND2-OE2 2.9Å; F44-E156 HydrophobicContact CE2-CB 4.45Å; F44-E156 HydrophobicContact CE2-CG 4.45Å; F44-E156 HydrophobicContact CZ-CG 4.2Å; Q83-E156 PolarHBondContact NE2-OE1 2.78Å; Q83-E156 PolarHBondContact NE2-OE2 3.01Å; R86-E156 WeakPolarHBondContact CG-O 3.02Å; E156-I160 HydrophobicContact CB-CG2 4.38Å; E156-I160 PolarHBondContact N-O 2.83Å; E156-Y162 HydrophobicContact CB-CE2 4.42Å; E156-Y162 WeakPolarHBondContact OE2-CE2 3.42Å; E156-Y162 PolarHBondContact OE2-OH 3.37Å
157	Y	82.9	Confident	88.6	Confident	114 Å²	114	39.7 Å²	39.7	45%	0.447	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	163.4	179.7	-70.9	-78.3	0	0	0	110.5	L155 N159 I160	L155-Y157 WeakPolarHBondContact CD1-O 3.05Å; Y157-N159 PolarHBondContact O-N 2.89Å; Y157-I160 PolarHBondContact N-O 3.28Å; Y157-I160 PolarHBondContact O-N 3.45Å
158	P	77.5	Confident	88.9	Confident	77 Å²	77	38.4 Å²	38.4	50%	0.5	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-14.5	-171.4	-31.2	37.2	0	0	0	118	S33	S33-P158 PolarHBondContact OG-O 2.89Å
159	N	81.2	Confident	89	Confident	110 Å²	110	40.6 Å²	40.6	59%	0.588	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-133.9	13	175.3	-62.2	-41.5	0	0	0	114	S33 A35 Y157	S33-N159 PolarHBondContact OG-OD1 3.49Å; A35-N159 HydrophobicContact CB-CB 3.84Å; A35-N159 WeakPolarHBondContact CB-O 3.1Å; Y157-N159 PolarHBondContact O-N 2.89Å
160	I	87	Confident	89	Confident	67 Å²	67	42.9 Å²	42.9	34%	0.344	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	111.5	-179.4	-58.6	175.8	0	0	0	107.9	E156 Y157 Y162	E156-I160 HydrophobicContact CB-CG2 4.38Å; E156-I160 PolarHBondContact N-O 2.83Å; Y157-I160 PolarHBondContact N-O 3.28Å; Y157-I160 PolarHBondContact O-N 3.45Å; I160-Y162 HydrophobicContact CG2-CE2 3.89Å; I160-Y162 WeakPolarHBondContact CG2-OH 3.05Å
161	W	90.2	Very high	88.8	Confident	25 Å²	25	48.7 Å²	48.7	10%	0.095	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	149.6	-178.4	66.7	-81.4	0	0	0	111.5	R28 A35 K37 S38 V154 L155 M163	R28-W161 HydrophobicContact CG-CH2 3.88Å; R28-W161 HydrophobicContact CG-CZ2 4.41Å; R28-W161 HydrophobicContact CG-CZ3 4.25Å; A35-W161 PolarHBondContact O-NE1 3.25Å; K37-W161 HydrophobicContact CB-CE3 4.5Å; K37-W161 HydrophobicContact CB-CH2 3.6Å; K37-W161 HydrophobicContact CB-CZ2 3.65Å; K37-W161 HydrophobicContact CB-CZ3 4.04Å; K37-W161 HydrophobicContact CG-CE3 4.37Å; K37-W161 HydrophobicContact CG-CH2 4.08Å; K37-W161 HydrophobicContact CG-CZ2 4.48Å; K37-W161 HydrophobicContact CG-CZ3 4.01Å; S38-W161 VanDerWaalsContact CB-O 3.28Å; S38-W161 WeakPolarHBondContact CB-O 3.49Å; S38-W161 PolarHBondContact N-O 2.61Å; S38-W161 PolarHBondContact OG-O 3.19Å; V154-W161 CarbonylContact O-C 3.55Å; V154-W161 WeakPolarHBondContact O-CA 3.37Å; V154-W161 WeakPolarHBondContact O-CB 3.27Å; L155-W161 HydrophobicContact CB-CB 4.43Å; L155-W161 HydrophobicContact CD1-CB 3.96Å; W161-M163 HydrophobicContact CE3-CB 4.04Å; W161-M163 HydrophobicContact CH2-CE 4.46Å; W161-M163 HydrophobicContact CH2-SD 4.41Å; W161-M163 HydrophobicContact CZ3-CB 3.58Å; W161-M163 HydrophobicContact CZ3-CE 3.74Å; W161-M163 HydrophobicContact CZ3-CG 4.32Å; W161-M163 HydrophobicContact CZ3-SD 3.86Å
162	Y	91.9	Very high	88.6	Confident	23 Å²	23	47.8 Å²	47.8	9%	0.09	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	152.3	-175.7	-51.7	-84.6	0	0	0	109.3	S38 G40 N42 F44 A153 V154 E156 I160	S38-Y162 VanDerWaalsContact CB-CE1 3.43Å; G40-Y162 VanDerWaalsContact O-CD1 3.25Å; G40-Y162 WeakPolarHBondContact O-CD1 3.13Å; N42-Y162 HydrophobicContact CB-CD1 4.32Å; N42-Y162 HydrophobicContact CB-CD2 4.21Å; N42-Y162 HydrophobicContact CB-CE1 3.68Å; N42-Y162 HydrophobicContact CB-CE2 3.58Å; N42-Y162 WeakPolarHBondContact CB-OH 3.37Å; N42-Y162 PolarHBondContact ND2-OH 3.06Å; F44-Y162 AromaticContact CD2-CD2 3.93Å; F44-Y162 HydrophobicContact CD2-CD2 3.93Å; F44-Y162 HydrophobicContact CD2-CE2 4.33Å; F44-Y162 AromaticContact CE2-CD2 3.96Å; F44-Y162 HydrophobicContact CE2-CD2 3.96Å; F44-Y162 AromaticContact CE2-CE2 3.98Å; F44-Y162 HydrophobicContact CE2-CE2 3.98Å; A153-Y162 CarbonylContact C-O 3.47Å; A153-Y162 VanDerWaalsContact CA-O 3.23Å; A153-Y162 WeakPolarHBondContact CA-O 3.07Å; V154-Y162 PolarHBondContact N-O 3.18Å; V154-Y162 PolarHBondContact O-N 2.97Å; E156-Y162 HydrophobicContact CB-CE2 4.42Å; E156-Y162 WeakPolarHBondContact OE2-CE2 3.42Å; E156-Y162 PolarHBondContact OE2-OH 3.37Å; I160-Y162 HydrophobicContact CG2-CE2 3.89Å; I160-Y162 WeakPolarHBondContact CG2-OH 3.05Å
163	M	90.7	Very high	88.1	Confident	24 Å²	24	49.8 Å²	49.8	12%	0.118	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	131.1	-177.7	171.7	-177.8	-79.4	0	0	110.8	R27 R28 K37 A152 A153 W161 D165	R27-M163 HydrophobicContact CB-CE 3.85Å; R27-M163 WeakPolarHBondContact O-CE 3.4Å; R28-M163 HydrophobicContact CB-CE 4.49Å; R28-M163 HydrophobicContact CG-CE 3.97Å; K37-M163 HydrophobicContact CD-CB 4.24Å; K37-M163 WeakPolarHBondContact CE-O 3.36Å; K37-M163 PolarHBondContact NZ-O 3.3Å; A152-M163 WeakPolarHBondContact O-CA 2.94Å; A153-M163 HydrophobicContact CB-CB 3.87Å; A153-M163 HydrophobicContact CB-CE 3.5Å; A153-M163 VanDerWaalsContact CB-CE 3.5Å; A153-M163 HydrophobicContact CB-CG 3.96Å; W161-M163 HydrophobicContact CE3-CB 4.04Å; W161-M163 HydrophobicContact CH2-CE 4.46Å; W161-M163 HydrophobicContact CH2-SD 4.41Å; W161-M163 HydrophobicContact CZ3-CB 3.58Å; W161-M163 HydrophobicContact CZ3-CE 3.74Å; W161-M163 HydrophobicContact CZ3-CG 4.32Å; W161-M163 HydrophobicContact CZ3-SD 3.86Å; M163-D165 PolarHBondContact O-N 2.79Å
164	D	86.4	Confident	87.1	Confident	41 Å²	41	51.7 Å²	51.7	22%	0.219	26%	0.26	C	S	.	.	S	Bend	trans	61.7	-10.3	170	-55.4	-12.6	0	0	0	117.5	R27 A152 T169	R27-D164 IonicContact CZ-OD1 3.15Å; R27-D164 IonicContact CZ-OD2 2.65Å; R27-D164 IonicContact NH1-OD1 3.35Å; R27-D164 PolarHBondContact NH1-OD1 2.03Å; R27-D164 IonicContact NH1-OD2 3.82Å; R27-D164 VanDerWaalsContact NH2-CG 3.33Å; R27-D164 IonicContact NH2-OD1 3.9Å; R27-D164 PolarHBondContact NH2-OD1 2.84Å; R27-D164 IonicContact NH2-OD2 2.78Å; R27-D164 PolarHBondContact NH2-OD2 3.15Å; A152-D164 PolarHBondContact O-N 2.81Å; D164-T169 VanDerWaalsContact C-OG1 3.31Å; D164-T169 WeakPolarHBondContact CA-OG1 3.14Å; D164-T169 WeakPolarHBondContact O-CB 3.27Å; D164-T169 PolarHBondContact O-OG1 3.1Å
165	D	87.9	Confident	85.9	Confident	47 Å²	47	53.8 Å²	53.8	25%	0.251	27%	0.268	S	S	.	.	S	Bend	trans	-77.3	141.4	-178.9	-65.9	-17.1	0	0	0	111.2	K37 G40 M163 E167 L168	K37-D165 WeakPolarHBondContact CE-OD2 3.49Å; K37-D165 IonicContact NZ-OD1 3.59Å; K37-D165 PolarHBondContact NZ-OD1 3.15Å; K37-D165 IonicContact NZ-OD2 3.96Å; K37-D165 PolarHBondContact NZ-OD2 2.84Å; G40-D165 PolarHBondContact N-OD2 3.34Å; M163-D165 PolarHBondContact O-N 2.79Å; D165-E167 PolarHBondContact O-N 3.25Å; D165-L168 WeakPolarHBondContact O-CB 3.25Å; D165-L168 PolarHBondContact O-N 3.19Å
166	D	87.2	Confident	84.3	Confident	116 Å²	116	55.4 Å²	55.4	62%	0.62	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	49.2	-122.1	171.4	-52.9	-45.7	0	0	0	113.4	N41 L168 T169	N41-D166 HydrophobicContact CB-CB 4.43Å; D166-L168 PolarHBondContact O-N 3.38Å; D166-T169 PolarHBondContact O-N 3.24Å; D166-T169 VanDerWaalsContact O-N 3.11Å
167	E	89.9	Confident	82.7	Confident	100 Å²	100	54.7 Å²	54.7	47%	0.467	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-72.6	-5.2	-175.2	-51.9	-177.1	160.4	0	0	113.6	Q45 V46 D165	Q45-E167 CarbonylContact C-O 3.49Å; Q45-E167 WeakPolarHBondContact CA-O 3.42Å; Q45-E167 HydrophobicContact CB-CB 3.52Å; Q45-E167 HydrophobicContact CB-CG 4.48Å; Q45-E167 WeakPolarHBondContact CB-OE2 3.39Å; V46-E167 PolarHBondContact N-O 3.35Å; D165-E167 PolarHBondContact O-N 3.25Å
168	L	91.1	Very high	81.2	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-75.9	-11.2	169.2	-71.8	168.6	0	0	0	112.8	N41 F44 V46 A152 V154 D165 D166	N41-L168 HydrophobicContact CB-CD1 3.88Å; N41-L168 HydrophobicContact CB-CG 3.95Å; F44-L168 HydrophobicContact CB-CD2 3.82Å; F44-L168 HydrophobicContact CB-CG 4.39Å; V46-L168 WeakPolarHBondContact CG2-O 3.47Å; A152-L168 HydrophobicContact CB-CB 4.44Å; A152-L168 HydrophobicContact CB-CD2 3.91Å; A152-L168 PolarHBondContact N-O 3.3Å; V154-L168 HydrophobicContact CG2-CD2 3.63Å; D165-L168 WeakPolarHBondContact O-CB 3.25Å; D165-L168 PolarHBondContact O-N 3.19Å; D166-L168 PolarHBondContact O-N 3.38Å
169	T	91.4	Very high	80.1	Confident	46 Å²	46	51.2 Å²	51.2	28%	0.282	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	115.8	171	-64.4	0	0	0	0	110.4	F150 K151 D164 D166	F150-T169 CarbonylContact O-C 3.51Å; F150-T169 VanDerWaalsContact O-CA 3.28Å; F150-T169 WeakPolarHBondContact O-CA 3.37Å; K151-T169 HydrophobicContact CG-CG2 4.32Å; D164-T169 VanDerWaalsContact C-OG1 3.31Å; D164-T169 WeakPolarHBondContact CA-OG1 3.14Å; D164-T169 WeakPolarHBondContact O-CB 3.27Å; D164-T169 PolarHBondContact O-OG1 3.1Å; D166-T169 PolarHBondContact O-N 3.24Å; D166-T169 VanDerWaalsContact O-N 3.11Å
170	K	90.6	Very high	78.7	Confident	63 Å²	63	46.3 Å²	46.3	27%	0.274	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	119.1	176.1	-170.7	74.5	172.1	-171.4	0	110.1	V46 V48 E59 F150	V46-K170 HydrophobicContact CB-CB 4.16Å; V46-K170 HydrophobicContact CG1-CB 4.08Å; V48-K170 HydrophobicContact CG2-CG 4.17Å; E59-K170 IonicContact OE1-NZ 2.68Å; E59-K170 PolarHBondContact OE1-NZ 3Å; F150-K170 WeakPolarHBondContact CD2-O 3.28Å; F150-K170 PolarHBondContact N-O 3.46Å; F150-K170 PolarHBondContact O-N 3.15Å
171	K	88.9	Confident	77.1	Confident	123 Å²	123	44 Å²	44	54%	0.535	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	135.4	172.8	-172.4	175.3	-178.5	178	0	110.3	S95 C147 V148 T149	S95-K171 WeakPolarHBondContact OG-CE 3.17Å; C147-K171 HydrophobicContact CB-CG 4.33Å; V148-K171 CarbonylContact O-C 3.6Å; V148-K171 WeakPolarHBondContact O-CA 3.16Å; T149-K171 HydrophobicContact CG2-CB 4.12Å; T149-K171 HydrophobicContact CG2-CD 4.38Å; T149-K171 HydrophobicContact CG2-CG 3.95Å
172	L	88	Confident	75.1	Confident	2 Å²	2	49 Å²	49	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	117.9	178.8	-164.5	70.7	0	0	0	109	V48 V60 Y63 W138 V148 F150	V48-L172 HydrophobicContact CG1-CD2 3.9Å; V48-L172 HydrophobicContact CG2-CD2 4.32Å; V60-L172 HydrophobicContact CG1-CD1 4.22Å; V60-L172 HydrophobicContact CG1-CD2 4.46Å; V60-L172 WeakPolarHBondContact O-CD1 3.24Å; Y63-L172 HydrophobicContact CD1-CB 4.42Å; Y63-L172 HydrophobicContact CD1-CD2 4.21Å; Y63-L172 HydrophobicContact CD1-CG 4.04Å; Y63-L172 WeakPolarHBondContact CD1-O 3.35Å; Y63-L172 WeakPolarHBondContact CE1-O 3.49Å; Y63-L172 HydrophobicContact CG-CD2 4.42Å; W138-L172 HydrophobicContact CZ3-CD2 4.35Å; V148-L172 PolarHBondContact N-O 3.16Å; V148-L172 PolarHBondContact O-N 2.82Å; F150-L172 HydrophobicContact CE2-CB 4.06Å; F150-L172 HydrophobicContact CE2-CD2 4.09Å
173	C	82.5	Confident	73.1	Confident	43 Å²	43	50.7 Å²	50.7	29%	0.291	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	161.4	179.6	-61.3	0	0	0	0	111.5	G62 Y63 C147 R175	G62-C173 CarbonylContact C-O 3.53Å; G62-C173 WeakPolarHBondContact CA-O 3.37Å; Y63-C173 WeakPolarHBondContact CD1-O 3.3Å; Y63-C173 PolarHBondContact N-O 3.13Å; C147-C173 HydrophobicContact CB-CB 4.02Å; C147-C173 WeakPolarHBondContact CB-SG 3.23Å; C147-C173 WeakPolarHBondContact SG-CB 3.3Å; C147-C173 CovalentContact SG-SG 2.03Å; C147-C173 PolarHBondContact SG-SG 3.38Å; C173-R175 PolarHBondContact O-N 3.4Å
174	I	71.2	Confident	71.2	Confident	40 Å²	40	50.8 Å²	50.8	21%	0.205	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	136.8	169.9	-164.9	168.5	0	0	0	110.3	Y63 P65 D144 G146 G176	Y63-I174 WeakPolarHBondContact O-CA 3.41Å; P65-I174 HydrophobicContact CG-CD1 3.56Å; P65-I174 HydrophobicContact CG-CG1 4.23Å; D144-I174 HydrophobicContact CB-CD1 4.41Å; G146-I174 PolarHBondContact O-N 2.88Å; I174-G176 PolarHBondContact O-N 2.69Å
175	R	67.4	Low	69.3	Low	43 Å²	43	49.5 Å²	49.5	16%	0.162	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-70	130.3	172.3	-81.4	-176.8	167.1	161.4	-3.6	109.7	T61 Y63 C173 L180	T61-R175 PolarHBondContact OG1-NH2 2.89Å; Y63-R175 PolarHBondContact O-N 3.15Å; Y63-R175 VanDerWaalsContact O-N 3.1Å; C173-R175 PolarHBondContact O-N 3.4Å; R175-L180 HydrophobicContact CB-CG 4.06Å; R175-L180 WeakPolarHBondContact O-CD1 3.45Å
176	G	57.7	Low	67.2	Low	37 Å²	37	48 Å²	48	38%	0.381	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-59.5	152.5	173.6	0	0	0	0	0	111.9	I174 A178 S179 L180	I174-G176 PolarHBondContact O-N 2.69Å; G176-A178 VanDerWaalsContact C-N 3.25Å; G176-A178 PolarHBondContact O-N 3.21Å; G176-S179 CarbonylContact O-C 3.5Å; G176-S179 WeakPolarHBondContact O-CA 3.37Å; G176-S179 WeakPolarHBondContact O-CB 3.29Å; G176-S179 PolarHBondContact O-N 2.71Å; G176-L180 PolarHBondContact O-N 2.67Å
177	I	54.2	Low	65	Low	8 Å²	8	47 Å²	47	4%	0.041	25%	0.245	C	C	.	.	H	α-helix	trans	-53.5	-42.9	-174.4	-50.7	157.6	0	0	0	111.2	S179 L180 I181 T400 D416 L418	I177-S179 PolarHBondContact O-N 3.48Å; I177-L180 CarbonylContact O-C 3.47Å; I177-L180 PolarHBondContact O-N 3.06Å; I177-L180 VanDerWaalsContact O-N 3.07Å; I177-I181 HydrophobicContact CB-CD1 4.39Å; I177-I181 HydrophobicContact CG2-CD1 3.27Å; I177-I181 HydrophobicContact CG2-CG1 3.9Å; I177-I181 WeakPolarHBondContact O-CB 3.32Å; I177-I181 WeakPolarHBondContact O-CD1 3.39Å; I177-I181 VanDerWaalsContact O-CG1 3.28Å; I177-I181 WeakPolarHBondContact O-CG1 3.4Å; I177-I181 PolarHBondContact O-N 3.31Å; I177-T400 HydrophobicContact CD1-CG2 4.16Å; I177-D416 WeakPolarHBondContact CD1-O 3.47Å; I177-D416 WeakPolarHBondContact CG1-O 3.47Å; I177-L418 HydrophobicContact CD1-CB 3.22Å; I177-L418 VanDerWaalsContact CD1-N 3.33Å; I177-L418 HydrophobicContact CG1-CB 3.93Å
178	A	53.4	Low	62.6	Low	73 Å²	73	42.8 Å²	42.8	60%	0.603	23%	0.227	S	C	*	.	H	α-helix	trans	-57.4	-38.2	177.5	0	0	0	0	0	112	G176 Y182	G176-A178 VanDerWaalsContact C-N 3.25Å; G176-A178 PolarHBondContact O-N 3.21Å; A178-Y182 WeakPolarHBondContact O-CB 3.33Å; A178-Y182 PolarHBondContact O-N 2.83Å
179	S	53.7	Low	59.9	Low	45 Å²	45	43.5 Å²	43.5	32%	0.315	24%	0.235	S	C	.	.	H	α-helix	trans	-75.8	-34.1	175.1	-179.3	0	0	0	0	112.8	G176 I177 Y183	G176-S179 CarbonylContact O-C 3.5Å; G176-S179 WeakPolarHBondContact O-CA 3.37Å; G176-S179 WeakPolarHBondContact O-CB 3.29Å; G176-S179 PolarHBondContact O-N 2.71Å; I177-S179 PolarHBondContact O-N 3.48Å; S179-Y183 WeakPolarHBondContact O-CB 3.32Å; S179-Y183 PolarHBondContact O-N 2.84Å
180	L	52.4	Low	57.2	Low	6 Å²	6	48.5 Å²	48.5	3%	0.031	25%	0.25	C	C	.	.	H	α-helix	trans	-68.1	-44.5	174	-86.5	162.6	0	0	0	112.1	I64 R175 G176 I177 Y183 N184 Y370	I64-L180 HydrophobicContact CB-CD2 4.35Å; I64-L180 HydrophobicContact CD1-CD2 3.57Å; I64-L180 HydrophobicContact CG1-CD2 3.62Å; I64-L180 HydrophobicContact CG2-CD2 4.04Å; R175-L180 HydrophobicContact CB-CG 4.06Å; R175-L180 WeakPolarHBondContact O-CD1 3.45Å; G176-L180 PolarHBondContact O-N 2.67Å; I177-L180 CarbonylContact O-C 3.47Å; I177-L180 PolarHBondContact O-N 3.06Å; I177-L180 VanDerWaalsContact O-N 3.07Å; L180-Y183 PolarHBondContact O-N 2.95Å; L180-N184 WeakPolarHBondContact O-CB 3.25Å; L180-N184 PolarHBondContact O-N 3.07Å; L180-Y370 HydrophobicContact CD1-CE2 4.41Å
181	I	52.1	Low	54.6	Low	18 Å²	18	51.7 Å²	51.7	9%	0.092	27%	0.27	C	S	.	.	H	α-helix	trans	-61	-52.8	171.2	-68.5	157.9	0	0	0	108.3	I177 Y183 N184 T185 Y253 A397 T399	I177-I181 HydrophobicContact CB-CD1 4.39Å; I177-I181 HydrophobicContact CG2-CD1 3.27Å; I177-I181 HydrophobicContact CG2-CG1 3.9Å; I177-I181 WeakPolarHBondContact O-CB 3.32Å; I177-I181 WeakPolarHBondContact O-CD1 3.39Å; I177-I181 VanDerWaalsContact O-CG1 3.28Å; I177-I181 WeakPolarHBondContact O-CG1 3.4Å; I177-I181 PolarHBondContact O-N 3.31Å; I181-Y183 PolarHBondContact O-N 2.81Å; I181-N184 PolarHBondContact O-N 2.82Å; I181-T185 HydrophobicContact CG2-CG2 3.92Å; I181-T185 VanDerWaalsContact O-CB 3.25Å; I181-T185 WeakPolarHBondContact O-CB 3.45Å; I181-T185 WeakPolarHBondContact O-CG2 3.25Å; I181-T185 PolarHBondContact O-N 2.77Å; I181-T185 PolarHBondContact O-OG1 3.29Å; I181-Y253 HydrophobicContact CG2-CE1 4.41Å; I181-A397 HydrophobicContact CB-CB 4.4Å; I181-A397 HydrophobicContact CD1-CB 3.47Å; I181-A397 VanDerWaalsContact CD1-CB 3.47Å; I181-A397 HydrophobicContact CG1-CB 3.99Å; I181-A397 HydrophobicContact CG2-CB 3.58Å; I181-T399 HydrophobicContact CD1-CG2 4.07Å
182	Y	49.5	Very low	51.8	Low	131 Å²	131	47.6 Å²	47.6	51%	0.514	26%	0.256	S	S	.	.	H	α-helix	trans	-53	-42.1	174.8	-178.9	-85.2	0	0	0	111.3	A178 T185 H186	A178-Y182 WeakPolarHBondContact O-CB 3.33Å; A178-Y182 PolarHBondContact O-N 2.83Å; Y182-T185 VanDerWaalsContact C-OG1 3.24Å; Y182-T185 WeakPolarHBondContact CA-OG1 3.33Å; Y182-T185 PolarHBondContact O-OG1 3.23Å; Y182-H186 HydrophobicContact CD1-CB 4.48Å; Y182-H186 AromaticContact CD1-ND1 3.87Å; Y182-H186 AromaticContact CD2-CE1 3.13Å; Y182-H186 WeakPolarHBondContact CD2-CE1 3.13Å; Y182-H186 AromaticContact CD2-ND1 3.49Å; Y182-H186 WeakPolarHBondContact CD2-ND1 3.49Å; Y182-H186 AromaticContact CD2-NE2 3.78Å; Y182-H186 HydrophobicContact CE1-CB 4.29Å; Y182-H186 AromaticContact CE1-CD2 3.86Å; Y182-H186 AromaticContact CE1-CG 3.76Å; Y182-H186 AromaticContact CE1-ND1 3.93Å; Y182-H186 AromaticContact CE2-CD2 3.76Å; Y182-H186 AromaticContact CE2-CE1 2.97Å; Y182-H186 WeakPolarHBondContact CE2-CE1 3.07Å; Y182-H186 AromaticContact CE2-ND1 3.59Å; Y182-H186 AromaticContact CE2-NE2 3.09Å; Y182-H186 WeakPolarHBondContact CE2-NE2 3.2Å; Y182-H186 AromaticContact CG-CE1 3.79Å; Y182-H186 AromaticContact CG-ND1 3.63Å; Y182-H186 AromaticContact CZ-CD2 3.41Å; Y182-H186 VanDerWaalsContact CZ-CD2 3.41Å; Y182-H186 AromaticContact CZ-CE1 3.48Å; Y182-H186 VanDerWaalsContact CZ-CE1 3.48Å; Y182-H186 AromaticContact CZ-CG 3.73Å; Y182-H186 AromaticContact CZ-ND1 3.79Å; Y182-H186 AromaticContact CZ-NE2 3.24Å; Y182-H186 WeakPolarHBondContact O-CB 3Å; Y182-H186 VanDerWaalsContact O-CG 3.22Å; Y182-H186 PolarHBondContact O-N 2.87Å; Y182-H186 PolarHBondContact O-ND1 3.47Å; Y182-H186 PolarHBondContact OH-CD2 2.95Å; Y182-H186 PolarHBondContact OH-NE2 3.08Å
183	Y	48.8	Very low	49.2	Very low	58 Å²	58	54.1 Å²	54.1	23%	0.227	30%	0.299	C	S	.	.	H	α-helix	trans	-72	-45.2	179.1	-175.6	-100.2	0	0	0	113	I64 S179 L180 I181 T185 H186 K187	I64-Y183 HydrophobicContact CD1-CD1 4.3Å; I64-Y183 HydrophobicContact CD1-CE1 4.34Å; S179-Y183 WeakPolarHBondContact O-CB 3.32Å; S179-Y183 PolarHBondContact O-N 2.84Å; L180-Y183 PolarHBondContact O-N 2.95Å; I181-Y183 PolarHBondContact O-N 2.81Å; Y183-T185 VanDerWaalsContact C-N 3.26Å; Y183-T185 PolarHBondContact O-N 2.77Å; Y183-H186 PolarHBondContact O-N 2.91Å; Y183-K187 HydrophobicContact CE1-CD 4.2Å; Y183-K187 HydrophobicContact CE2-CD 4.28Å; Y183-K187 VanDerWaalsContact O-CB 3.29Å; Y183-K187 WeakPolarHBondContact O-CB 3.19Å; Y183-K187 PolarHBondContact O-N 3.18Å; Y183-K187 PolarHBondContact OH-NZ 2.81Å
184	N	51.2	Low	46.9	Very low	26 Å²	26	61.3 Å²	61.3	14%	0.139	33%	0.326	C	S	.	.	H	α-helix	trans	-62.3	-35.9	175.6	-76	-13.8	0	0	0	111	L180 I181 A188	L180-N184 WeakPolarHBondContact O-CB 3.25Å; L180-N184 PolarHBondContact O-N 3.07Å; I181-N184 PolarHBondContact O-N 2.82Å; N184-A188 WeakPolarHBondContact O-CB 3.35Å; N184-A188 PolarHBondContact O-N 2.82Å
185	T	46.8	Very low	45	Very low	15 Å²	15	63.4 Å²	63.4	9%	0.092	34%	0.337	C	S	.	.	H	α-helix	trans	-76.6	-38.9	176.7	56.7	0	0	0	0	113.1	I181 Y182 Y183 A188 G189 Y253	I181-T185 HydrophobicContact CG2-CG2 3.92Å; I181-T185 VanDerWaalsContact O-CB 3.25Å; I181-T185 WeakPolarHBondContact O-CB 3.45Å; I181-T185 WeakPolarHBondContact O-CG2 3.25Å; I181-T185 PolarHBondContact O-N 2.77Å; I181-T185 PolarHBondContact O-OG1 3.29Å; Y182-T185 VanDerWaalsContact C-OG1 3.24Å; Y182-T185 WeakPolarHBondContact CA-OG1 3.33Å; Y182-T185 PolarHBondContact O-OG1 3.23Å; Y183-T185 VanDerWaalsContact C-N 3.26Å; Y183-T185 PolarHBondContact O-N 2.77Å; T185-A188 CarbonylContact O-C 3.46Å; T185-A188 WeakPolarHBondContact O-CA 3.29Å; T185-A188 WeakPolarHBondContact O-CB 3.44Å; T185-A188 PolarHBondContact O-N 2.75Å; T185-G189 PolarHBondContact O-N 2.78Å; T185-Y253 HydrophobicContact CG2-CD1 4.03Å; T185-Y253 HydrophobicContact CG2-CD2 3.11Å; T185-Y253 HydrophobicContact CG2-CE1 4.2Å; T185-Y253 HydrophobicContact CG2-CE2 3.33Å; T185-Y253 HydrophobicContact CG2-CG 3.47Å; T185-Y253 VanDerWaalsContact CG2-CG 3.47Å
186	H	43.7	Very low	43.6	Very low	16 Å²	16	66.6 Å²	66.6	7%	0.074	36%	0.357	C	S	.	.	H	α-helix	trans	-85.5	-30.6	-176.2	-76	63.4	0	0	0	113	Y182 Y183 G189 D191	Y182-H186 HydrophobicContact CD1-CB 4.48Å; Y182-H186 AromaticContact CD1-ND1 3.87Å; Y182-H186 AromaticContact CD2-CE1 3.13Å; Y182-H186 WeakPolarHBondContact CD2-CE1 3.13Å; Y182-H186 AromaticContact CD2-ND1 3.49Å; Y182-H186 WeakPolarHBondContact CD2-ND1 3.49Å; Y182-H186 AromaticContact CD2-NE2 3.78Å; Y182-H186 HydrophobicContact CE1-CB 4.29Å; Y182-H186 AromaticContact CE1-CD2 3.86Å; Y182-H186 AromaticContact CE1-CG 3.76Å; Y182-H186 AromaticContact CE1-ND1 3.93Å; Y182-H186 AromaticContact CE2-CD2 3.76Å; Y182-H186 AromaticContact CE2-CE1 2.97Å; Y182-H186 WeakPolarHBondContact CE2-CE1 3.07Å; Y182-H186 AromaticContact CE2-ND1 3.59Å; Y182-H186 AromaticContact CE2-NE2 3.09Å; Y182-H186 WeakPolarHBondContact CE2-NE2 3.2Å; Y182-H186 AromaticContact CG-CE1 3.79Å; Y182-H186 AromaticContact CG-ND1 3.63Å; Y182-H186 AromaticContact CZ-CD2 3.41Å; Y182-H186 VanDerWaalsContact CZ-CD2 3.41Å; Y182-H186 AromaticContact CZ-CE1 3.48Å; Y182-H186 VanDerWaalsContact CZ-CE1 3.48Å; Y182-H186 AromaticContact CZ-CG 3.73Å; Y182-H186 AromaticContact CZ-ND1 3.79Å; Y182-H186 AromaticContact CZ-NE2 3.24Å; Y182-H186 WeakPolarHBondContact O-CB 3Å; Y182-H186 VanDerWaalsContact O-CG 3.22Å; Y182-H186 PolarHBondContact O-N 2.87Å; Y182-H186 PolarHBondContact O-ND1 3.47Å; Y182-H186 PolarHBondContact OH-CD2 2.95Å; Y182-H186 PolarHBondContact OH-NE2 3.08Å; Y183-H186 PolarHBondContact O-N 2.91Å; H186-G189 WeakPolarHBondContact O-CA 3.43Å; H186-G189 PolarHBondContact O-N 2.8Å; H186-D191 WeakPolarHBondContact CE1-CB 3.3Å; H186-D191 WeakPolarHBondContact NE2-CB 3.39Å
187	K	40.4	Very low	42.9	Very low	94 Å²	94	67.6 Å²	67.6	41%	0.409	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-18.6	163.7	-131.5	-179.9	-169.4	172	0	112	Y183 G189	Y183-K187 HydrophobicContact CE1-CD 4.2Å; Y183-K187 HydrophobicContact CE2-CD 4.28Å; Y183-K187 VanDerWaalsContact O-CB 3.29Å; Y183-K187 WeakPolarHBondContact O-CB 3.19Å; Y183-K187 PolarHBondContact O-N 3.18Å; Y183-K187 PolarHBondContact OH-NZ 2.81Å; K187-G189 VanDerWaalsContact C-N 3.3Å
188	A	40.6	Very low	42.6	Very low	11 Å²	11	68 Å²	68	9%	0.091	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-0.7	161.2	0	0	0	0	0	113.8	N184 T185 S350	N184-A188 WeakPolarHBondContact O-CB 3.35Å; N184-A188 PolarHBondContact O-N 2.82Å; T185-A188 CarbonylContact O-C 3.46Å; T185-A188 WeakPolarHBondContact O-CA 3.29Å; T185-A188 WeakPolarHBondContact O-CB 3.44Å; T185-A188 PolarHBondContact O-N 2.75Å; A188-S350 WeakPolarHBondContact CB-O 3.13Å
189	G	32.7	Very low	42.5	Very low	16 Å²	16	68.3 Å²	68.3	17%	0.165	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	63	163.8	0	0	0	0	0	118.4	T185 H186 K187	T185-G189 PolarHBondContact O-N 2.78Å; H186-G189 WeakPolarHBondContact O-CA 3.43Å; H186-G189 PolarHBondContact O-N 2.8Å; K187-G189 VanDerWaalsContact C-N 3.3Å
190	Y	36.5	Very low	42.9	Very low	150 Å²	150	69.5 Å²	69.5	59%	0.588	35%	0.353	S	S	*	.			trans	-136.6	-31	170	-119.3	-91.6	0	0	0	120.5	I249	Y190-I249 HydrophobicContact CE2-CD1 3.96Å
191	D	34.8	Very low	44	Very low	131 Å²	131	74.3 Å²	74.3	70%	0.701	38%	0.375	S	S	*	.	S	Bend	trans	-97.6	8.3	-169.2	-115.1	-4.6	0	0	0	115.9	H186	H186-D191 WeakPolarHBondContact CE1-CB 3.3Å; H186-D191 WeakPolarHBondContact NE2-CB 3.39Å
192	S	31.3	Very low	45.6	Very low	36 Å²	36	73.6 Å²	73.6	25%	0.252	37%	0.372	S	S	.	.			trans	-119.4	116.8	161.3	20.3	0	0	0	0	108.8	K194 N195	S192-K194 PolarHBondContact O-N 3.4Å; S192-N195 PolarHBondContact O-N 2.84Å
193	P	33.2	Very low	47.3	Very low	140 Å²	140	69.6 Å²	69.6	91%	0.909	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-4	167.6	-21.7	31.1	0	0	0	113.6
194	K	32.8	Very low	49.1	Very low	194 Å²	194	66.9 Å²	66.9	84%	0.843	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.1	-1	-178.9	-74.4	-172.8	174.2	-179.1	0	115	S192	S192-K194 PolarHBondContact O-N 3.4Å
195	N	33.1	Very low	50.9	Low	83 Å²	83	66.5 Å²	66.5	44%	0.444	35%	0.351	S	S	.	.			trans	-101.8	92.9	176.8	-143.6	-12.3	0	0	0	111.7	S192 D197	S192-N195 PolarHBondContact O-N 2.84Å; N195-D197 PolarHBondContact O-N 3.4Å
196	L	37.1	Very low	53	Low	111 Å²	111	68.3 Å²	68.3	58%	0.581	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-71.3	0.4	-168.8	-136.4	73.3	0	0	0	114.2	A198 T199 E200	L196-A198 PolarHBondContact O-N 2.79Å; L196-T199 WeakPolarHBondContact CA-OG1 3.27Å; L196-T199 VanDerWaalsContact CG-OG1 3.32Å; L196-T199 WeakPolarHBondContact CG-OG1 3.14Å; L196-T199 CarbonylContact O-C 3.56Å; L196-T199 WeakPolarHBondContact O-CA 3.31Å; L196-T199 PolarHBondContact O-N 2.77Å; L196-T199 PolarHBondContact O-OG1 3.25Å; L196-E200 PolarHBondContact O-N 2.66Å
197	D	43.8	Very low	55.3	Low	57 Å²	57	69.8 Å²	69.8	31%	0.305	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-69.2	-33.7	-165.6	-89.7	0.6	0	0	0	114.4	N195 T199 K357	N195-D197 PolarHBondContact O-N 3.4Å; D197-T199 VanDerWaalsContact C-N 3.3Å; D197-K357 WeakPolarHBondContact OD1-CE 3.44Å; D197-K357 IonicContact OD1-NZ 2.96Å; D197-K357 PolarHBondContact OD1-NZ 3.45Å
198	A	46.8	Very low	57.9	Low	17 Å²	17	65.3 Å²	65.3	14%	0.14	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-77.6	-19.6	171.5	0	0	0	0	0	112.4	L196	L196-A198 PolarHBondContact O-N 2.79Å
199	T	50.5	Low	60.5	Low	80 Å²	80	66.6 Å²	66.6	49%	0.491	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-12.1	174.1	48.8	0	0	0	0	113.3	L196 D197 E201 R246	L196-T199 WeakPolarHBondContact CA-OG1 3.27Å; L196-T199 VanDerWaalsContact CG-OG1 3.32Å; L196-T199 WeakPolarHBondContact CG-OG1 3.14Å; L196-T199 CarbonylContact O-C 3.56Å; L196-T199 WeakPolarHBondContact O-CA 3.31Å; L196-T199 PolarHBondContact O-N 2.77Å; L196-T199 PolarHBondContact O-OG1 3.25Å; D197-T199 VanDerWaalsContact C-N 3.3Å; T199-E201 PolarHBondContact O-N 3.18Å; T199-R246 PolarHBondContact O-NH1 2.91Å
200	E	63.3	Low	63.6	Low	70 Å²	70	65.8 Å²	65.8	33%	0.327	34%	0.343	S	S	.	.	S	Bend	trans	-65.5	121.9	175.2	-80.1	-173.7	179.6	0	0	109.7	L196 C202 K357	L196-E200 PolarHBondContact O-N 2.66Å; E200-C202 PolarHBondContact O-N 3.33Å; E200-K357 IonicContact OE1-NZ 2.74Å; E200-K357 PolarHBondContact OE1-NZ 2.81Å; E200-K357 WeakPolarHBondContact OE2-CE 3.42Å; E200-K357 IonicContact OE2-NZ 2.87Å; E200-K357 PolarHBondContact OE2-NZ 2.9Å
201	E	74.5	Confident	66.4	Low	107 Å²	107	61 Å²	61	50%	0.5	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-64.6	127.8	173.7	-171.7	-176.3	144.7	0	0	109.6	T199 C203 R328	T199-E201 PolarHBondContact O-N 3.18Å; E201-C203 PolarHBondContact O-N 3.12Å; E201-R328 IonicContact OE1-CZ 3.74Å; E201-R328 IonicContact OE1-NE 3.31Å; E201-R328 IonicContact OE1-NH2 3.99Å; E201-R328 PolarHBondContact OE1-NH2 2.9Å
202	C	85.5	Confident	69.3	Low	3 Å²	3	55.1 Å²	55.1	2%	0.02	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-61.8	132.6	174.4	175.7	0	0	0	0	110.7	E200 S204 R328 H331 C355	E200-C202 PolarHBondContact O-N 3.33Å; C202-S204 PolarHBondContact SG-N 3.04Å; C202-S204 VanDerWaalsContact SG-N 3.41Å; C202-R328 HydrophobicContact CB-CG 4.45Å; C202-R328 WeakPolarHBondContact CB-O 3.39Å; C202-R328 WeakPolarHBondContact O-CG 3.35Å; C202-R328 PolarHBondContact O-NE 3.28Å; C202-H331 HydrophobicContact CB-CB 3.83Å; C202-H331 VanDerWaalsContact CB-CG 3.49Å; C202-C355 VanDerWaalsContact CA-SG 3.51Å; C202-C355 HydrophobicContact CB-CB 3.57Å; C202-C355 WeakPolarHBondContact CB-SG 3.45Å; C202-C355 WeakPolarHBondContact SG-CB 2.84Å; C202-C355 CovalentContact SG-SG 2.03Å; C202-C355 PolarHBondContact SG-SG 2.85Å
203	C	86.1	Confident	72.5	Confident	46 Å²	46	54.7 Å²	54.7	31%	0.311	29%	0.29	S	S	.	.			trans	-98.7	-4	177.9	64.7	0	0	0	0	113.7	E201 C359	E201-C203 PolarHBondContact O-N 3.12Å; C203-C359 HydrophobicContact CB-CB 4.02Å; C203-C359 WeakPolarHBondContact CB-SG 3.41Å; C203-C359 WeakPolarHBondContact SG-CA 3.28Å; C203-C359 WeakPolarHBondContact SG-CB 3.41Å; C203-C359 PolarHBondContact SG-N 2.89Å; C203-C359 VanDerWaalsContact SG-N 3.39Å; C203-C359 CovalentContact SG-SG 2.04Å; C203-C359 PolarHBondContact SG-SG 2.92Å
204	S	87.3	Confident	75.5	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.007	25%	0.247	C	C	.	.			trans	-74.7	125.7	175.2	-160.4	0	0	0	0	110.5	C202 R328 C359 W361	C202-S204 PolarHBondContact SG-N 3.04Å; C202-S204 VanDerWaalsContact SG-N 3.41Å; S204-R328 WeakPolarHBondContact O-CB 3.4Å; S204-R328 VanDerWaalsContact O-CG 3.27Å; S204-R328 WeakPolarHBondContact O-CG 3.24Å; S204-C359 WeakPolarHBondContact CA-O 3.48Å; S204-C359 VanDerWaalsContact CB-O 3.25Å; S204-C359 WeakPolarHBondContact CB-O 3.4Å; S204-C359 PolarHBondContact OG-O 3.35Å; S204-W361 PolarHBondContact OG-NE1 3.12Å; S204-W361 VanDerWaalsContact OG-NE1 3.15Å
205	C	88.1	Confident	78.5	Confident	19 Å²	19	40.7 Å²	40.7	13%	0.128	22%	0.216	C	C	.	.			trans	-89.9	-18.6	-178.4	-58.1	0	0	0	0	113.1	C436	C205-C436 HydrophobicContact CB-CB 3.88Å; C205-C436 WeakPolarHBondContact CB-SG 3.22Å; C205-C436 VanDerWaalsContact SG-CA 3.52Å; C205-C436 WeakPolarHBondContact SG-CB 3.24Å; C205-C436 CovalentContact SG-SG 2.02Å; C205-C436 PolarHBondContact SG-SG 3Å
206	D	91	Very high	81.3	Confident	52 Å²	52	36.9 Å²	36.9	28%	0.278	20%	0.196	S	C	.	.	S	Bend	trans	-75.1	150	-179	-58.6	-30.7	0	0	0	111.6	W361 V431 P433 S434	D206-W361 VanDerWaalsContact O-CZ2 3.28Å; D206-W361 WeakPolarHBondContact O-CZ2 3.32Å; D206-W361 PolarHBondContact O-NE1 2.97Å; D206-V431 HydrophobicContact CB-CG1 3.52Å; D206-P433 VanDerWaalsContact OD1-CA 3.28Å; D206-P433 WeakPolarHBondContact OD1-CA 3.42Å; D206-S434 PolarHBondContact OD1-N 3.33Å; D206-S434 VanDerWaalsContact OD1-N 3.15Å
207	E	91.4	Very high	83.7	Confident	48 Å²	48	33.8 Å²	33.8	22%	0.224	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	138.1	166.6	-109.4	-170.7	172	0	0	109.7	R303 V326 D327 V431 Y432	E207-R303 IonicContact OE1-CZ 2.67Å; E207-R303 VanDerWaalsContact OE1-CZ 3.27Å; E207-R303 IonicContact OE1-NE 3.22Å; E207-R303 PolarHBondContact OE1-NE 2.83Å; E207-R303 IonicContact OE1-NH2 2.78Å; E207-R303 PolarHBondContact OE1-NH2 2.63Å; E207-R303 IonicContact OE2-NH2 2.89Å; E207-V326 CarbonylContact C-O 3.5Å; E207-V326 WeakPolarHBondContact CA-O 3.45Å; E207-D327 HydrophobicContact CG-CB 3.6Å; E207-V431 CarbonylContact O-C 3.59Å; E207-V431 WeakPolarHBondContact O-CA 3.28Å; E207-Y432 PolarHBondContact N-O 2.59Å; E207-Y432 PolarHBondContact O-N 3.14Å
208	A	94.8	Very high	85.8	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	140	173.6	0	0	0	0	0	111.6	Y210 R325 V326 W361 V431	A208-Y210 HydrophobicContact CB-CD2 4.15Å; A208-Y210 HydrophobicContact CB-CE2 3.65Å; A208-R325 CarbonylContact O-C 3.55Å; A208-R325 WeakPolarHBondContact O-CA 3.5Å; A208-V326 HydrophobicContact CB-CG2 3.81Å; A208-V326 PolarHBondContact N-O 2.84Å; A208-V326 PolarHBondContact O-N 2.97Å; A208-W361 HydrophobicContact CB-CB 4.14Å; A208-W361 HydrophobicContact CB-CD2 3.72Å; A208-W361 HydrophobicContact CB-CE3 4.37Å; A208-W361 HydrophobicContact CB-CG 3.58Å; A208-V431 HydrophobicContact CB-CG2 4.36Å
209	K	95.5	Very high	87.6	Confident	37 Å²	37	30.6 Å²	30.6	16%	0.161	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	128.6	172	179.7	179.9	177.4	-129.4	0	108.8	M323 F324 R325 D429 K430 Y432	K209-M323 HydrophobicContact CD-CE 4.3Å; K209-M323 WeakPolarHBondContact CE-SD 3.35Å; K209-M323 HydrophobicContact CG-CE 4.26Å; K209-M323 VanDerWaalsContact NZ-CE 3.3Å; K209-M323 PolarHBondContact NZ-SD 3.15Å; K209-F324 WeakPolarHBondContact CA-O 3.44Å; K209-R325 HydrophobicContact CB-CG 4.47Å; K209-D429 WeakPolarHBondContact CD-OD2 3.38Å; K209-D429 WeakPolarHBondContact CE-OD2 3.33Å; K209-D429 HydrophobicContact CG-CB 4.4Å; K209-D429 IonicContact NZ-OD2 3.4Å; K209-D429 PolarHBondContact NZ-OD2 3.25Å; K209-D429 WeakPolarHBondContact O-CB 3.45Å; K209-D429 PolarHBondContact O-N 2.97Å; K209-K430 PolarHBondContact N-O 3.2Å; K209-K430 PolarHBondContact O-N 3.36Å; K209-Y432 HydrophobicContact CB-CE2 3.91Å
210	Y	97.4	Very high	88.9	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	148.3	-179.5	-81.1	-95.1	0	0	0	111.1	A208 M323 F324 V326 L354 W361 I362 F426 R427 K428	A208-Y210 HydrophobicContact CB-CD2 4.15Å; A208-Y210 HydrophobicContact CB-CE2 3.65Å; Y210-M323 WeakPolarHBondContact O-CA 3.43Å; Y210-F324 VanDerWaalsContact CB-CE1 3.43Å; Y210-F324 VanDerWaalsContact CB-CZ 3.46Å; Y210-F324 HydrophobicContact CG-CE1 4.48Å; Y210-F324 HydrophobicContact CG-CZ 4.09Å; Y210-F324 PolarHBondContact N-O 2.99Å; Y210-F324 PolarHBondContact O-N 2.51Å; Y210-V326 HydrophobicContact CD2-CG2 3.77Å; Y210-V326 HydrophobicContact CE2-CG2 3.63Å; Y210-L354 HydrophobicContact CD2-CD1 4.32Å; Y210-L354 HydrophobicContact CE1-CD2 4.06Å; Y210-L354 HydrophobicContact CE2-CD1 4.33Å; Y210-L354 HydrophobicContact CG-CD1 4.48Å; Y210-W361 HydrophobicContact CE2-CE3 4.37Å; Y210-W361 WeakPolarHBondContact OH-CB 3.25Å; Y210-I362 VanDerWaalsContact CE1-O 3.27Å; Y210-I362 WeakPolarHBondContact CE1-O 3.44Å; Y210-I362 VanDerWaalsContact CZ-O 3.31Å; Y210-I362 PolarHBondContact OH-N 2.83Å; Y210-I362 VanDerWaalsContact OH-N 3.14Å; Y210-I362 PolarHBondContact OH-O 3.21Å; Y210-F426 HydrophobicContact CD1-CB 4.29Å; Y210-R427 WeakPolarHBondContact CA-O 2.8Å; Y210-K428 HydrophobicContact CD1-CB 4.14Å; Y210-K428 HydrophobicContact CE1-CB 3.65Å; Y210-K428 HydrophobicContact CE1-CG 4.26Å; Y210-K428 HydrophobicContact CE2-CG 4.32Å
211	E	96.6	Very high	89.6	Confident	49 Å²	49	35.1 Å²	35.1	23%	0.229	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	126.5	160.8	-176.9	178.4	-124.4	0	0	107.9	I213 R321 M323 R427	E211-I213 HydrophobicContact CG-CG1 3.97Å; E211-R321 VanDerWaalsContact OE1-CD 3.31Å; E211-R321 WeakPolarHBondContact OE1-CD 3.27Å; E211-R321 IonicContact OE1-NE 2.72Å; E211-M323 HydrophobicContact CB-CE 4.17Å; E211-R427 PolarHBondContact N-O 3.28Å; E211-R427 PolarHBondContact O-N 3.38Å
212	V	96.3	Very high	89.7	Confident	8 Å²	8	32.6 Å²	32.6	5%	0.048	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	130.4	165.3	59.7	0	0	0	0	108.9	I306 R321 A322 F324 L335 L424 T425 F426	V212-I306 HydrophobicContact CG1-CG2 3.95Å; V212-R321 VanDerWaalsContact O-CA 3.25Å; V212-R321 WeakPolarHBondContact O-CA 3.02Å; V212-A322 HydrophobicContact CG1-CB 3.88Å; V212-A322 WeakPolarHBondContact CG1-O 3.36Å; V212-A322 PolarHBondContact N-O 2.7Å; V212-A322 PolarHBondContact O-N 2.86Å; V212-F324 HydrophobicContact CB-CD1 4.43Å; V212-F324 HydrophobicContact CB-CE1 3.96Å; V212-F324 HydrophobicContact CG1-CD1 4.23Å; V212-F324 HydrophobicContact CG1-CE1 4.24Å; V212-L335 HydrophobicContact CG2-CD2 4.05Å; V212-L424 HydrophobicContact CG2-CD1 3.42Å; V212-L424 VanDerWaalsContact CG2-CD1 3.42Å; V212-L424 HydrophobicContact CG2-CG 4.21Å; V212-T425 CarbonylContact C-O 3.49Å; V212-T425 WeakPolarHBondContact CA-O 3.29Å; V212-F426 HydrophobicContact CB-CD1 4.07Å; V212-F426 HydrophobicContact CB-CE1 4.04Å; V212-F426 HydrophobicContact CG2-CD1 4.07Å; V212-F426 HydrophobicContact CG2-CE1 3.74Å; V212-F426 HydrophobicContact CG2-CZ 4.28Å
213	I	97.4	Very high	89.6	Confident	26 Å²	26	33.1 Å²	33.1	13%	0.133	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	118.9	179.6	-51.2	175.2	0	0	0	107.2	E211 I319 R321 L424 T425	E211-I213 HydrophobicContact CG-CG1 3.97Å; I213-I319 HydrophobicContact CG2-CG2 3.39Å; I213-R321 HydrophobicContact CG1-CG 4.21Å; I213-R321 HydrophobicContact CG2-CG 4.28Å; I213-L424 CarbonylContact O-C 3.47Å; I213-L424 WeakPolarHBondContact O-CA 3.43Å; I213-T425 PolarHBondContact N-O 2.82Å; I213-T425 PolarHBondContact O-N 2.93Å
214	F	97.5	Very high	89.2	Confident	3 Å²	3	35.2 Å²	35.2	1%	0.013	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	122.3	173.5	-177.7	-76.5	0	0	0	108.8	F236 I239 L311 I319 T320 V347 L369 A422 L424	F214-F236 HydrophobicContact CE1-CB 4.28Å; F214-F236 AromaticContact CE1-CD1 3.99Å; F214-F236 HydrophobicContact CE1-CD1 3.99Å; F214-F236 HydrophobicContact CE1-CD2 4.07Å; F214-F236 HydrophobicContact CE1-CE1 4.32Å; F214-F236 HydrophobicContact CE1-CE2 4.4Å; F214-F236 AromaticContact CE1-CG 3.84Å; F214-F236 HydrophobicContact CE1-CG 3.84Å; F214-F236 HydrophobicContact CZ-CB 4.42Å; F214-F236 AromaticContact CZ-CD1 3.58Å; F214-F236 HydrophobicContact CZ-CD1 3.58Å; F214-F236 HydrophobicContact CZ-CD2 4.48Å; F214-F236 AromaticContact CZ-CE1 3.85Å; F214-F236 HydrophobicContact CZ-CE1 3.85Å; F214-F236 AromaticContact CZ-CG 3.91Å; F214-F236 HydrophobicContact CZ-CG 3.91Å; F214-F236 HydrophobicContact CZ-CZ 4.43Å; F214-I239 HydrophobicContact CB-CD1 3.48Å; F214-I239 VanDerWaalsContact CB-CD1 3.48Å; F214-I239 HydrophobicContact CD1-CD1 3.96Å; F214-I239 HydrophobicContact CD2-CD1 3.62Å; F214-I239 HydrophobicContact CD2-CG1 4.44Å; F214-I239 HydrophobicContact CE2-CD1 4.29Å; F214-I239 HydrophobicContact CG-CD1 3.42Å; F214-I239 VanDerWaalsContact CG-CD1 3.42Å; F214-L311 HydrophobicContact CD1-CD1 3.73Å; F214-L311 HydrophobicContact CE1-CD1 3.89Å; F214-I319 CarbonylContact O-C 3.54Å; F214-I319 WeakPolarHBondContact O-CA 3.24Å; F214-T320 HydrophobicContact CB-CG2 3.72Å; F214-T320 HydrophobicContact CD1-CG2 4.12Å; F214-T320 HydrophobicContact CG-CG2 4.25Å; F214-T320 PolarHBondContact N-O 3.43Å; F214-T320 PolarHBondContact O-N 3.4Å; F214-V347 HydrophobicContact CE2-CG2 4.2Å; F214-V347 HydrophobicContact CZ-CG2 4.13Å; F214-L369 HydrophobicContact CD2-CD1 4.14Å; F214-L369 HydrophobicContact CE2-CD1 3.67Å; F214-A422 HydrophobicContact CD2-CB 4.48Å; F214-A422 HydrophobicContact CE1-CB 3.78Å; F214-A422 HydrophobicContact CE2-CB 3.73Å; F214-A422 HydrophobicContact CZ-CB 3.31Å; F214-L424 HydrophobicContact CB-CD1 4.38Å; F214-L424 HydrophobicContact CD2-CD1 4.2Å
215	D	94.1	Very high	88.9	Confident	38 Å²	38	39.7 Å²	39.7	20%	0.203	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	116.3	-175.4	178.7	13.1	0	0	0	108.5	I319 A422 K423	D215-I319 HydrophobicContact CB-CG1 4.21Å; D215-A422 CarbonylContact O-C 3.59Å; D215-A422 WeakPolarHBondContact O-CA 3.43Å; D215-A422 WeakPolarHBondContact O-CB 3.17Å; D215-K423 HydrophobicContact CB-CB 4.15Å; D215-K423 PolarHBondContact N-O 3.28Å; D215-K423 PolarHBondContact O-N 3.16Å
216	G	91.7	Very high	88.4	Confident	2 Å²	2	42.1 Å²	42.1	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	129.8	-178.4	0	0	0	0	0	111.6	V316 Q317 G318	G216-V316 WeakPolarHBondContact CA-O 3.16Å; G216-Q317 WeakPolarHBondContact O-CA 3.28Å; G216-Q317 WeakPolarHBondContact O-CB 3.08Å; G216-G318 PolarHBondContact N-O 3.46Å
217	L	88.2	Confident	88	Confident	47 Å²	47	40.4 Å²	40.4	25%	0.246	20%	0.198	C	C	.	.			trans	-116.5	-4.2	178.5	-56.2	179.2	0	0	0	112.4	S219 T222 Y368 P420 F421 K423	L217-S219 PolarHBondContact O-N 2.75Å; L217-T222 PolarHBondContact O-OG1 3.5Å; L217-Y368 HydrophobicContact CD1-CD1 4.09Å; L217-Y368 HydrophobicContact CD1-CE1 4.14Å; L217-P420 HydrophobicContact CD1-CB 4.4Å; L217-P420 HydrophobicContact CD1-CG 3.95Å; L217-F421 CarbonylContact C-O 3.46Å; L217-F421 WeakPolarHBondContact CA-O 3.41Å; L217-F421 PolarHBondContact N-O 2.83Å; L217-K423 HydrophobicContact CD1-CB 3.98Å; L217-K423 HydrophobicContact CG-CB 4.48Å
218	W	88.3	Confident	87.5	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.188	C	C	.	.			trans	-73.8	118.6	-179.7	-175.2	30.4	0	0	0	111.3	H223 Y227 P228 T234 F236 V316 L339 G340 Y382 F421	W218-H223 AromaticContact CD1-CG 3.8Å; W218-H223 AromaticContact CD1-ND1 3.56Å; W218-Y227 AromaticContact CD1-CE2 3.83Å; W218-Y227 HydrophobicContact CD2-CE2 4.48Å; W218-Y227 AromaticContact CE2-CE2 3.91Å; W218-Y227 HydrophobicContact CG-CE2 4.43Å; W218-Y227 HydrophobicContact CZ2-CE2 4.49Å; W218-Y227 AromaticContact NE1-CD2 3.68Å; W218-Y227 AromaticContact NE1-CE2 3.45Å; W218-P228 HydrophobicContact CH2-CG 4.36Å; W218-P228 HydrophobicContact CZ2-CG 4.12Å; W218-T234 HydrophobicContact CD2-CG2 4.18Å; W218-T234 HydrophobicContact CE3-CG2 3.8Å; W218-T234 HydrophobicContact CH2-CG2 3.57Å; W218-T234 HydrophobicContact CZ2-CG2 3.94Å; W218-T234 HydrophobicContact CZ3-CG2 3.48Å; W218-T234 VanDerWaalsContact CZ3-CG2 3.48Å; W218-F236 HydrophobicContact CB-CE2 4.02Å; W218-F236 HydrophobicContact CB-CZ 3.74Å; W218-F236 HydrophobicContact CE3-CE2 4.4Å; W218-F236 HydrophobicContact CE3-CZ 4.28Å; W218-V316 HydrophobicContact CB-CG1 4.3Å; W218-V316 HydrophobicContact CE3-CG1 4.24Å; W218-V316 WeakPolarHBondContact O-CG1 3.28Å; W218-L339 HydrophobicContact CE3-CD2 4.2Å; W218-L339 HydrophobicContact CZ3-CB 4.35Å; W218-L339 HydrophobicContact CZ3-CD2 4.36Å; W218-G340 WeakPolarHBondContact CH2-O 3.49Å; W218-G340 VanDerWaalsContact CZ3-O 3.29Å; W218-G340 WeakPolarHBondContact CZ3-O 3.04Å; W218-Y382 HydrophobicContact CH2-CD1 4.23Å; W218-Y382 AromaticContact CH2-CE1 3.95Å; W218-Y382 HydrophobicContact CH2-CE1 3.95Å; W218-Y382 HydrophobicContact CZ2-CD1 4.02Å; W218-Y382 AromaticContact CZ2-CE1 3.44Å; W218-Y382 HydrophobicContact CZ2-CE1 3.44Å; W218-Y382 VanDerWaalsContact CZ2-CE1 3.44Å; W218-Y382 HydrophobicContact CZ2-CE2 4.33Å; W218-Y382 AromaticContact CZ2-CZ 3.63Å; W218-F421 HydrophobicContact CB-CD1 3.76Å; W218-F421 HydrophobicContact CB-CE1 4.28Å; W218-F421 AromaticContact CD1-CD1 3.74Å; W218-F421 AromaticContact CD1-CE1 3.35Å; W218-F421 AromaticContact CD2-CD1 3.86Å; W218-F421 HydrophobicContact CD2-CD1 3.86Å; W218-F421 AromaticContact CD2-CE1 3.76Å; W218-F421 HydrophobicContact CD2-CE1 3.76Å; W218-F421 AromaticContact CE2-CE1 3.69Å; W218-F421 HydrophobicContact CE3-CD1 4.44Å; W218-F421 AromaticContact CG-CD1 3.52Å; W218-F421 HydrophobicContact CG-CD1 3.52Å; W218-F421 AromaticContact CG-CE1 3.57Å; W218-F421 HydrophobicContact CG-CE1 3.57Å; W218-F421 HydrophobicContact CZ2-CE1 4.45Å; W218-F421 PolarHBondContact N-O 3.48Å; W218-F421 AromaticContact NE1-CE1 3.43Å
219	S	83.5	Confident	86.4	Confident	7 Å²	7	41.2 Å²	41.2	5%	0.049	21%	0.209	C	C	.	.			trans	-151.6	168.6	177.6	77.2	0	0	0	0	111.2	L217 Q221 T222 H223 Q317	L217-S219 PolarHBondContact O-N 2.75Å; S219-Q221 PolarHBondContact O-N 2.87Å; S219-Q221 PolarHBondContact OG-N 2.73Å; S219-Q221 PolarHBondContact OG-OE1 3.01Å; S219-T222 PolarHBondContact N-OG1 2.96Å; S219-T222 PolarHBondContact O-N 3.16Å; S219-T222 PolarHBondContact O-OG1 2.72Å; S219-T222 PolarHBondContact OG-N 2.93Å; S219-T222 PolarHBondContact OG-OG1 2.96Å; S219-H223 PolarHBondContact O-N 2.87Å; S219-Q317 VanDerWaalsContact CB-NE2 3.32Å
220	R	79.3	Confident	85.4	Confident	95 Å²	95	41.6 Å²	41.6	36%	0.358	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-25	173.5	-171.1	179.3	-67.8	-74	0.9	112.4	P224 Y227 P228 E231	R220-P224 WeakPolarHBondContact O-CA 3.47Å; R220-P224 WeakPolarHBondContact O-CB 3.37Å; R220-Y227 HydrophobicContact CB-CD1 3.95Å; R220-Y227 HydrophobicContact CB-CD2 4.31Å; R220-Y227 HydrophobicContact CB-CE1 4.16Å; R220-Y227 HydrophobicContact CB-CG 4Å; R220-Y227 HydrophobicContact CG-CD1 4.29Å; R220-Y227 HydrophobicContact CG-CG 4.26Å; R220-Y227 VanDerWaalsContact N-CE2 3.3Å; R220-P228 PolarHBondContact NH2-O 3.28Å; R220-E231 IonicContact CZ-OE1 2.62Å; R220-E231 IonicContact NE-OE1 3.01Å; R220-E231 PolarHBondContact NE-OE1 3.24Å; R220-E231 VanDerWaalsContact NE-OE1 3.1Å; R220-E231 IonicContact NH2-OE1 3.87Å; R220-E231 PolarHBondContact NH2-OE1 3.1Å
221	Q	76.7	Confident	84.5	Confident	150 Å²	150	44.5 Å²	44.5	70%	0.701	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-41.9	177.6	-62.2	77.8	23.2	0	0	111.8	S219	S219-Q221 PolarHBondContact O-N 2.87Å; S219-Q221 PolarHBondContact OG-N 2.73Å; S219-Q221 PolarHBondContact OG-OE1 3.01Å
222	T	76.6	Confident	83.4	Confident	54 Å²	54	47.1 Å²	47.1	33%	0.331	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-34.2	-179.9	53.1	0	0	0	0	111.9	L217 S219	L217-T222 PolarHBondContact O-OG1 3.5Å; S219-T222 PolarHBondContact N-OG1 2.96Å; S219-T222 PolarHBondContact O-N 3.16Å; S219-T222 PolarHBondContact O-OG1 2.72Å; S219-T222 PolarHBondContact OG-N 2.93Å; S219-T222 PolarHBondContact OG-OG1 2.96Å
223	H	84.9	Confident	82.7	Confident	13 Å²	13	46.8 Å²	46.8	6%	0.06	24%	0.236	C	C	.	.	S	Bend	trans	-130.8	70.7	-177.2	-56.2	82.2	0	0	0	110.1	W218 S219 R225 Y227 P419 F421	W218-H223 AromaticContact CD1-CG 3.8Å; W218-H223 AromaticContact CD1-ND1 3.56Å; S219-H223 PolarHBondContact O-N 2.87Å; H223-R225 VanDerWaalsContact C-N 3.31Å; H223-R225 PolarHBondContact O-N 2.98Å; H223-Y227 WeakPolarHBondContact O-CB 3.24Å; H223-Y227 WeakPolarHBondContact O-CD2 3.28Å; H223-P419 PolarHBondContact NE2-O 2.9Å; H223-F421 AromaticContact CD2-CE2 3.3Å; H223-F421 WeakPolarHBondContact CD2-CE2 3.37Å; H223-F421 AromaticContact CD2-CZ 3.29Å; H223-F421 WeakPolarHBondContact CD2-CZ 3.41Å; H223-F421 AromaticContact CE1-CD2 3.94Å; H223-F421 AromaticContact CE1-CE2 3.85Å; H223-F421 AromaticContact CG-CZ 3.8Å; H223-F421 AromaticContact NE2-CD2 3.46Å; H223-F421 WeakPolarHBondContact NE2-CD2 3.48Å; H223-F421 AromaticContact NE2-CE2 3.06Å; H223-F421 WeakPolarHBondContact NE2-CE2 3.14Å; H223-F421 AromaticContact NE2-CZ 3.5Å; H223-F421 WeakPolarHBondContact NE2-CZ 3.42Å
224	P	77.4	Confident	82.2	Confident	91 Å²	91	45.6 Å²	45.6	59%	0.591	23%	0.23	S	C	*	.			trans	-70.6	-25.2	-172.5	26.5	-34.7	0	0	0	114	R220 D226	R220-P224 WeakPolarHBondContact O-CA 3.47Å; R220-P224 WeakPolarHBondContact O-CB 3.37Å; P224-D226 PolarHBondContact O-N 3.42Å
225	R	79.6	Confident	82.1	Confident	95 Å²	95	45.5 Å²	45.5	36%	0.358	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	120.3	-174.8	-173.6	171.6	-160.5	-141.7	-11.4	111	H223 Y227 P406 S408 P409 Y411	H223-R225 VanDerWaalsContact C-N 3.31Å; H223-R225 PolarHBondContact O-N 2.98Å; R225-Y227 PolarHBondContact O-N 2.88Å; R225-P406 PolarHBondContact NH2-O 3.05Å; R225-S408 PolarHBondContact NH1-O 3.4Å; R225-P409 WeakPolarHBondContact CD-O 3.39Å; R225-Y411 PolarHBondContact NH1-O 3.36Å
226	D	78.8	Confident	82.2	Confident	70 Å²	70	43.7 Å²	43.7	37%	0.374	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	24.9	178.8	-56.5	-42.4	0	0	0	114	P224 Y382 P409	P224-D226 PolarHBondContact O-N 3.42Å; D226-Y382 VanDerWaalsContact O-CD2 3.29Å; D226-Y382 WeakPolarHBondContact O-CD2 3.3Å; D226-P409 HydrophobicContact CB-CB 4.25Å; D226-P409 HydrophobicContact CB-CG 4.23Å
227	Y	83.3	Confident	82.3	Confident	16 Å²	16	43.7 Å²	43.7	6%	0.063	22%	0.22	C	C	.	.			trans	-54.7	129.5	177.6	-171.1	-87.5	0	0	0	109.1	W218 R220 H223 R225 S229 E231	W218-Y227 AromaticContact CD1-CE2 3.83Å; W218-Y227 HydrophobicContact CD2-CE2 4.48Å; W218-Y227 AromaticContact CE2-CE2 3.91Å; W218-Y227 HydrophobicContact CG-CE2 4.43Å; W218-Y227 HydrophobicContact CZ2-CE2 4.49Å; W218-Y227 AromaticContact NE1-CD2 3.68Å; W218-Y227 AromaticContact NE1-CE2 3.45Å; R220-Y227 HydrophobicContact CB-CD1 3.95Å; R220-Y227 HydrophobicContact CB-CD2 4.31Å; R220-Y227 HydrophobicContact CB-CE1 4.16Å; R220-Y227 HydrophobicContact CB-CG 4Å; R220-Y227 HydrophobicContact CG-CD1 4.29Å; R220-Y227 HydrophobicContact CG-CG 4.26Å; R220-Y227 VanDerWaalsContact N-CE2 3.3Å; H223-Y227 WeakPolarHBondContact O-CB 3.24Å; H223-Y227 WeakPolarHBondContact O-CD2 3.28Å; R225-Y227 PolarHBondContact O-N 2.88Å; Y227-S229 PolarHBondContact O-N 3.02Å; Y227-E231 HydrophobicContact CE1-CG 4.47Å
228	P	79.8	Confident	82.6	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.013	21%	0.211	C	C	.	.			trans	-45.4	124.9	-169.7	-29.9	33.2	0	0	0	112.9	W218 R220 L230 P341 Y382	W218-P228 HydrophobicContact CH2-CG 4.36Å; W218-P228 HydrophobicContact CZ2-CG 4.12Å; R220-P228 PolarHBondContact NH2-O 3.28Å; P228-L230 VanDerWaalsContact C-N 3.32Å; P228-P341 HydrophobicContact CB-CG 3.98Å; P228-P341 HydrophobicContact CG-CG 3.87Å; P228-Y382 HydrophobicContact CG-CD2 4.08Å; P228-Y382 HydrophobicContact CG-CG 4.01Å
229	S	72.6	Confident	83	Confident	62 Å²	62	42.4 Å²	42.4	43%	0.434	21%	0.213	S	C	.	.	S	Bend	trans	-66.3	-38.3	178.7	58.9	0	0	0	0	111.1	Y227 E231 N526	Y227-S229 PolarHBondContact O-N 3.02Å; S229-E231 VanDerWaalsContact C-N 3.33Å; S229-E231 PolarHBondContact O-N 3.11Å; S229-E231 VanDerWaalsContact O-N 3.11Å; S229-N526 VanDerWaalsContact OG-CG 3.24Å; S229-N526 PolarHBondContact OG-ND2 3.01Å; S229-N526 PolarHBondContact OG-OD1 3.38Å
230	L	74	Confident	83.6	Confident	46 Å²	46	42.1 Å²	42.1	24%	0.241	21%	0.211	C	C	.	.	S	Bend	trans	-82.5	76.7	172.6	-60.3	-173.5	0	0	0	109.9	P228 H232 L233 M383 F527	P228-L230 VanDerWaalsContact C-N 3.32Å; L230-H232 PolarHBondContact O-N 3.38Å; L230-H232 VanDerWaalsContact O-N 3.09Å; L230-L233 HydrophobicContact CB-CD1 3.92Å; L230-L233 HydrophobicContact CB-CG 4.12Å; L230-L233 HydrophobicContact CD1-CD1 3.84Å; L230-L233 WeakPolarHBondContact O-CB 3.39Å; L230-L233 PolarHBondContact O-N 3.19Å; L230-M383 HydrophobicContact CB-CE 4.44Å; L230-M383 HydrophobicContact CD1-CE 3.79Å; L230-M383 HydrophobicContact CG-CE 4.12Å; L230-F527 HydrophobicContact CD1-CE2 4.38Å; L230-F527 HydrophobicContact CD1-CZ 3.71Å
231	E	77.3	Confident	84.4	Confident	61 Å²	61	37.6 Å²	37.6	29%	0.285	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-55.9	-32.7	-173.7	-63	-172.8	164.1	0	0	113.3	R220 Y227 S229 L233 T234 Y313	R220-E231 IonicContact CZ-OE1 2.62Å; R220-E231 IonicContact NE-OE1 3.01Å; R220-E231 PolarHBondContact NE-OE1 3.24Å; R220-E231 VanDerWaalsContact NE-OE1 3.1Å; R220-E231 IonicContact NH2-OE1 3.87Å; R220-E231 PolarHBondContact NH2-OE1 3.1Å; Y227-E231 HydrophobicContact CE1-CG 4.47Å; S229-E231 VanDerWaalsContact C-N 3.33Å; S229-E231 PolarHBondContact O-N 3.11Å; S229-E231 VanDerWaalsContact O-N 3.11Å; E231-L233 PolarHBondContact O-N 2.89Å; E231-L233 VanDerWaalsContact O-N 3.1Å; E231-T234 VanDerWaalsContact O-CB 3.23Å; E231-T234 WeakPolarHBondContact O-CB 3.46Å; E231-T234 PolarHBondContact O-N 2.74Å; E231-T234 PolarHBondContact O-OG1 2.03Å; E231-T234 VanDerWaalsContact O-OG1 3.06Å; E231-Y313 HydrophobicContact CB-CD2 3.91Å; E231-Y313 HydrophobicContact CB-CE2 3.83Å; E231-Y313 HydrophobicContact CB-CG 4.34Å; E231-Y313 WeakPolarHBondContact O-CB 3.41Å
232	H	73.4	Confident	85.2	Confident	104 Å²	104	30.4 Å²	30.4	48%	0.481	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-61.8	-16.1	176.5	69	-85.7	0	0	0	114.8	L230	L230-H232 PolarHBondContact O-N 3.38Å; L230-H232 VanDerWaalsContact O-N 3.09Å
233	L	81.6	Confident	86.1	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-89.6	-12.1	172.6	-60.8	-179.1	0	0	0	112.6	L230 E231 H235 G340 P341 M383 I486	L230-L233 HydrophobicContact CB-CD1 3.92Å; L230-L233 HydrophobicContact CB-CG 4.12Å; L230-L233 HydrophobicContact CD1-CD1 3.84Å; L230-L233 WeakPolarHBondContact O-CB 3.39Å; L230-L233 PolarHBondContact O-N 3.19Å; E231-L233 PolarHBondContact O-N 2.89Å; E231-L233 VanDerWaalsContact O-N 3.1Å; L233-H235 PolarHBondContact O-N 2.97Å; L233-H235 PolarHBondContact O-ND1 2.62Å; L233-G340 CarbonylContact O-C 3.49Å; L233-P341 HydrophobicContact CB-CG 4.34Å; L233-P341 WeakPolarHBondContact O-CD 3.46Å; L233-M383 HydrophobicContact CD1-CE 4.41Å; L233-I486 HydrophobicContact CD2-CG2 3.86Å
234	T	88.5	Confident	86.3	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.142	C	C	.	.			trans	-74.4	121.6	-176.7	-45.9	0	0	0	0	110.3	W218 E231 Y313 V316 G340	W218-T234 HydrophobicContact CD2-CG2 4.18Å; W218-T234 HydrophobicContact CE3-CG2 3.8Å; W218-T234 HydrophobicContact CH2-CG2 3.57Å; W218-T234 HydrophobicContact CZ2-CG2 3.94Å; W218-T234 HydrophobicContact CZ3-CG2 3.48Å; W218-T234 VanDerWaalsContact CZ3-CG2 3.48Å; E231-T234 VanDerWaalsContact O-CB 3.23Å; E231-T234 WeakPolarHBondContact O-CB 3.46Å; E231-T234 PolarHBondContact O-N 2.74Å; E231-T234 PolarHBondContact O-OG1 2.03Å; E231-T234 VanDerWaalsContact O-OG1 3.06Å; T234-Y313 WeakPolarHBondContact O-CB 3.41Å; T234-Y313 PolarHBondContact O-N 3.3Å; T234-V316 HydrophobicContact CG2-CG2 4.18Å; T234-V316 WeakPolarHBondContact O-CG2 3.46Å; T234-G340 CarbonylContact C-O 3.44Å; T234-G340 WeakPolarHBondContact CA-O 3.49Å
235	H	93.6	Very high	86.7	Confident	1 Å²	1	22.9 Å²	22.9	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	163.5	-179.4	67.7	-75	0	0	0	113.3	L233 L311 W312 G340	L233-H235 PolarHBondContact O-N 2.97Å; L233-H235 PolarHBondContact O-ND1 2.62Å; H235-L311 CarbonylContact C-O 3.55Å; H235-L311 WeakPolarHBondContact CA-O 3.49Å; H235-L311 WeakPolarHBondContact CB-O 3.2Å; H235-W312 HydrophobicContact CB-CB 4.06Å; H235-W312 HydrophobicContact CB-CD2 3.37Å; H235-W312 HydrophobicContact CB-CE3 3.44Å; H235-W312 VanDerWaalsContact CB-CE3 3.44Å; H235-W312 HydrophobicContact CB-CG 3.66Å; H235-W312 HydrophobicContact CB-CH2 4.48Å; H235-W312 HydrophobicContact CB-CZ2 4.42Å; H235-W312 HydrophobicContact CB-CZ3 4.01Å; H235-W312 AromaticContact CD2-CD2 3.78Å; H235-W312 AromaticContact CD2-CE2 3.36Å; H235-W312 AromaticContact CD2-CE3 3.94Å; H235-W312 AromaticContact CD2-CH2 3.37Å; H235-W312 WeakPolarHBondContact CD2-CH2 3.08Å; H235-W312 AromaticContact CD2-CZ2 3.16Å; H235-W312 WeakPolarHBondContact CD2-CZ2 3.28Å; H235-W312 AromaticContact CD2-CZ3 3.74Å; H235-W312 AromaticContact CD2-NE1 3.99Å; H235-W312 AromaticContact CE1-CH2 3.25Å; H235-W312 WeakPolarHBondContact CE1-CH2 3.47Å; H235-W312 AromaticContact CE1-CZ2 3.88Å; H235-W312 AromaticContact CE1-CZ3 3.45Å; H235-W312 VanDerWaalsContact CE1-CZ3 3.45Å; H235-W312 WeakPolarHBondContact CE1-CZ3 3.37Å; H235-W312 AromaticContact CG-CD2 3.55Å; H235-W312 AromaticContact CG-CE2 3.67Å; H235-W312 AromaticContact CG-CE3 3.42Å; H235-W312 VanDerWaalsContact CG-CE3 3.42Å; H235-W312 AromaticContact CG-CH2 3.6Å; H235-W312 AromaticContact CG-CZ2 3.71Å; H235-W312 AromaticContact CG-CZ3 3.43Å; H235-W312 VanDerWaalsContact CG-CZ3 3.43Å; H235-W312 AromaticContact ND1-CE3 3.64Å; H235-W312 AromaticContact ND1-CH2 3.53Å; H235-W312 AromaticContact ND1-CZ3 3.24Å; H235-W312 WeakPolarHBondContact ND1-CZ3 3.32Å; H235-W312 AromaticContact NE2-CH2 3.15Å; H235-W312 WeakPolarHBondContact NE2-CH2 3.2Å; H235-W312 AromaticContact NE2-CZ2 3.3Å; H235-W312 VanDerWaalsContact NE2-CZ2 3.3Å; H235-W312 WeakPolarHBondContact NE2-CZ2 3.5Å; H235-W312 AromaticContact NE2-CZ3 3.76Å; H235-G340 PolarHBondContact N-O 3.38Å; H235-G340 PolarHBondContact O-N 3.33Å
236	F	96.7	Very high	86.7	Confident	1 Å²	1	24.3 Å²	24.3	0%	0.004	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	129.4	154.1	-65.1	-85.1	0	0	0	108.2	F214 W218 G310 L311 V316 M338 L339 V347 F421 A422	F214-F236 HydrophobicContact CE1-CB 4.28Å; F214-F236 AromaticContact CE1-CD1 3.99Å; F214-F236 HydrophobicContact CE1-CD1 3.99Å; F214-F236 HydrophobicContact CE1-CD2 4.07Å; F214-F236 HydrophobicContact CE1-CE1 4.32Å; F214-F236 HydrophobicContact CE1-CE2 4.4Å; F214-F236 AromaticContact CE1-CG 3.84Å; F214-F236 HydrophobicContact CE1-CG 3.84Å; F214-F236 HydrophobicContact CZ-CB 4.42Å; F214-F236 AromaticContact CZ-CD1 3.58Å; F214-F236 HydrophobicContact CZ-CD1 3.58Å; F214-F236 HydrophobicContact CZ-CD2 4.48Å; F214-F236 AromaticContact CZ-CE1 3.85Å; F214-F236 HydrophobicContact CZ-CE1 3.85Å; F214-F236 AromaticContact CZ-CG 3.91Å; F214-F236 HydrophobicContact CZ-CG 3.91Å; F214-F236 HydrophobicContact CZ-CZ 4.43Å; W218-F236 HydrophobicContact CB-CE2 4.02Å; W218-F236 HydrophobicContact CB-CZ 3.74Å; W218-F236 HydrophobicContact CE3-CE2 4.4Å; W218-F236 HydrophobicContact CE3-CZ 4.28Å; F236-G310 CarbonylContact O-C 3.37Å; F236-G310 WeakPolarHBondContact O-CA 3.41Å; F236-L311 HydrophobicContact CB-CB 4.27Å; F236-L311 HydrophobicContact CD2-CB 4.03Å; F236-L311 HydrophobicContact CD2-CD1 4.47Å; F236-L311 PolarHBondContact N-O 2.72Å; F236-L311 PolarHBondContact O-N 2.03Å; F236-V316 HydrophobicContact CD2-CG1 3.89Å; F236-V316 HydrophobicContact CE2-CG1 3.6Å; F236-M338 WeakPolarHBondContact CA-O 3.28Å; F236-L339 HydrophobicContact CD1-CD2 3.67Å; F236-L339 HydrophobicContact CE1-CD2 3.21Å; F236-L339 HydrophobicContact CZ-CD2 4.03Å; F236-V347 HydrophobicContact CD1-CG2 3.9Å; F236-V347 HydrophobicContact CE1-CG2 3.84Å; F236-F421 HydrophobicContact CE1-CB 4.46Å; F236-F421 HydrophobicContact CZ-CB 4.4Å; F236-F421 VanDerWaalsContact CZ-O 3.3Å; F236-F421 WeakPolarHBondContact CZ-O 3.2Å; F236-A422 HydrophobicContact CE1-CB 4.26Å; F236-A422 HydrophobicContact CZ-CB 4.26Å
237	S	94.7	Very high	86.7	Confident	2 Å²	2	26.8 Å²	26.8	1%	0.014	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-61	168.4	174.7	75	0	0	0	0	111	I239 G310 S337 M338	S237-I239 PolarHBondContact O-N 3.26Å; S237-G310 VanDerWaalsContact O-CA 3.32Å; S237-G310 WeakPolarHBondContact O-CA 3.24Å; S237-S337 PolarHBondContact N-OG 3.23Å; S237-S337 PolarHBondContact O-OG 2.93Å; S237-M338 PolarHBondContact N-O 3.25Å; S237-M338 PolarHBondContact OG-N 3.38Å
238	D	94.5	Very high	86.7	Confident	13 Å²	13	26.9 Å²	26.9	7%	0.07	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-52.3	134.6	168.2	-69.1	-16.9	0	0	0	109.6	T270 G310 Q507	D238-T270 HydrophobicContact CB-CG2 3.82Å; D238-T270 WeakPolarHBondContact O-CG2 3.46Å; D238-G310 PolarHBondContact OD1-N 3.42Å; D238-Q507 PolarHBondContact OD2-NE2 2.72Å; D238-Q507 PolarHBondContact OD2-OE1 2.75Å
239	I	96.1	Very high	87	Confident	7 Å²	7	30 Å²	30	4%	0.036	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	128.4	-176.9	-57.1	165.3	0	0	0	107.2	F214 S237 K307 A308 T320 L335	F214-I239 HydrophobicContact CB-CD1 3.48Å; F214-I239 VanDerWaalsContact CB-CD1 3.48Å; F214-I239 HydrophobicContact CD1-CD1 3.96Å; F214-I239 HydrophobicContact CD2-CD1 3.62Å; F214-I239 HydrophobicContact CD2-CG1 4.44Å; F214-I239 HydrophobicContact CE2-CD1 4.29Å; F214-I239 HydrophobicContact CG-CD1 3.42Å; F214-I239 VanDerWaalsContact CG-CD1 3.42Å; S237-I239 PolarHBondContact O-N 3.26Å; I239-K307 WeakPolarHBondContact O-CA 3.28Å; I239-A308 HydrophobicContact CB-CB 4.11Å; I239-A308 HydrophobicContact CD1-CB 4.03Å; I239-A308 HydrophobicContact CG1-CB 4.5Å; I239-A308 PolarHBondContact N-O 3.19Å; I239-A308 PolarHBondContact O-N 2.79Å; I239-A308 VanDerWaalsContact O-N 3.11Å; I239-T320 HydrophobicContact CD1-CG2 3.49Å; I239-T320 VanDerWaalsContact CD1-CG2 3.49Å; I239-L335 HydrophobicContact CG2-CB 4.21Å; I239-L335 HydrophobicContact CG2-CD1 4.18Å
240	I	96.5	Very high	87.8	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	140.3	173.7	-174.1	64.4	0	0	0	109.1	M250 L264 T270 Y273 E274 I277 I305 I306 K307 L335 A336	I240-M250 HydrophobicContact CG1-CE 4.36Å; I240-M250 HydrophobicContact CG2-CE 3.99Å; I240-L264 HydrophobicContact CG2-CD1 4.02Å; I240-L264 HydrophobicContact CG2-CD2 3.6Å; I240-L264 HydrophobicContact CG2-CG 4.41Å; I240-T270 HydrophobicContact CB-CG2 3.89Å; I240-T270 HydrophobicContact CG2-CG2 4.12Å; I240-Y273 HydrophobicContact CG2-CD2 4.24Å; I240-Y273 HydrophobicContact CG2-CG 4.44Å; I240-E274 HydrophobicContact CD1-CB 4.34Å; I240-I277 HydrophobicContact CD1-CD1 4.24Å; I240-I277 HydrophobicContact CG1-CD1 3.99Å; I240-I305 HydrophobicContact CD1-CG2 3.79Å; I240-I306 CarbonylContact C-O 3.56Å; I240-I306 WeakPolarHBondContact CA-O 3.31Å; I240-K307 HydrophobicContact CD1-CD 4.48Å; I240-K307 HydrophobicContact CD1-CG 3.96Å; I240-L335 CarbonylContact O-C 3.52Å; I240-L335 VanDerWaalsContact O-CA 3.24Å; I240-L335 WeakPolarHBondContact O-CA 3.35Å; I240-A336 PolarHBondContact N-O 2.93Å; I240-A336 VanDerWaalsContact N-O 3.12Å; I240-A336 PolarHBondContact O-N 2.95Å
241	G	95.7	Very high	88.6	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	-176.4	179.6	0	0	0	0	0	112.5	I305 I306 S334	G241-I305 CarbonylContact O-C 3.53Å; G241-I306 PolarHBondContact N-O 2.79Å; G241-I306 PolarHBondContact O-N 2.87Å; G241-S334 CarbonylContact C-O 3.58Å; G241-S334 WeakPolarHBondContact CA-O 3.45Å
242	A	94.4	Very high	88.8	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	148.1	176.1	0	0	0	0	0	111.5	H244 Y248 I277 V302 T304 V333 S334	A242-H244 PolarHBondContact O-CD2 3.21Å; A242-Y248 HydrophobicContact CB-CE1 4.49Å; A242-I277 HydrophobicContact CB-CG2 4.34Å; A242-V302 HydrophobicContact CB-CG1 3.97Å; A242-T304 CarbonylContact C-O 3.59Å; A242-T304 VanDerWaalsContact CA-O 3.27Å; A242-T304 WeakPolarHBondContact CA-O 3.36Å; A242-V333 WeakPolarHBondContact O-CA 3.32Å; A242-S334 PolarHBondContact N-O 2.89Å; A242-S334 PolarHBondContact O-N 2.9Å
243	S	93.8	Very high	88.9	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	128	151.6	52.4	0	0	0	0	109.4	R303 T304 R325 L332	S243-R303 PolarHBondContact O-N 3.11Å; S243-T304 PolarHBondContact N-O 2.9Å; S243-T304 WeakPolarHBondContact OG-CB 3.33Å; S243-T304 PolarHBondContact OG-N 2.85Å; S243-T304 VanDerWaalsContact OG-N 3.13Å; S243-R325 VanDerWaalsContact CB-O 3.23Å; S243-R325 WeakPolarHBondContact CB-O 3.48Å; S243-R325 PolarHBondContact OG-O 3.3Å; S243-L332 CarbonylContact C-O 3.52Å; S243-L332 VanDerWaalsContact CA-O 3.26Å; S243-L332 WeakPolarHBondContact CA-O 3.37Å
244	H	90.4	Very high	88.7	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	168.8	-166.2	62.2	85.6	0	0	0	113.1	A242 Y248 E301 V302 H330 L332 S334	A242-H244 PolarHBondContact O-CD2 3.21Å; H244-Y248 HydrophobicContact CB-CD1 3.61Å; H244-Y248 HydrophobicContact CB-CG 4.41Å; H244-Y248 PolarHBondContact CE1-O 3.5Å; H244-Y248 AromaticContact CG-CD1 3.69Å; H244-Y248 PolarHBondContact ND1-O 3.01Å; H244-E301 CarbonylContact C-O 3.56Å; H244-E301 WeakPolarHBondContact CA-O 3.14Å; H244-E301 VanDerWaalsContact CB-O 3.24Å; H244-E301 WeakPolarHBondContact CB-O 3.32Å; H244-V302 HydrophobicContact CB-CG2 4.21Å; H244-H330 CarbonylContact O-C 3.56Å; H244-H330 VanDerWaalsContact O-CA 3.31Å; H244-H330 WeakPolarHBondContact O-CA 3.36Å; H244-L332 PolarHBondContact N-O 2.77Å; H244-L332 WeakPolarHBondContact O-CB 3.37Å; H244-L332 PolarHBondContact O-N 2.82Å; H244-L332 VanDerWaalsContact O-N 3.15Å; H244-S334 WeakPolarHBondContact NE2-CB 3.34Å; H244-S334 PolarHBondContact NE2-OG 2.83Å
245	S	84.9	Confident	88.4	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.			trans	-78.6	169.5	174.7	88	0	0	0	0	111.5	R247 Y248 E301 Y329	S245-R247 PolarHBondContact O-N 3.25Å; S245-R247 PolarHBondContact OG-N 3.33Å; S245-Y248 PolarHBondContact O-N 3.02Å; S245-E301 VanDerWaalsContact CB-OE2 3.28Å; S245-E301 WeakPolarHBondContact CB-OE2 3.14Å; S245-E301 PolarHBondContact N-O 2.8Å; S245-E301 PolarHBondContact OG-OE2 3.09Å; S245-Y329 WeakPolarHBondContact CA-O 3.43Å; S245-Y329 VanDerWaalsContact CB-CE1 3.5Å
246	R	80.2	Confident	88.1	Confident	125 Å²	125	32.4 Å²	32.4	47%	0.472	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-16.2	171.8	66.8	-179.7	177.3	-164.5	-5.5	115.1	T199 L332	T199-R246 PolarHBondContact O-NH1 2.91Å; R246-L332 HydrophobicContact CB-CD1 4.16Å
247	R	79	Confident	87.8	Confident	121 Å²	121	32.6 Å²	32.6	46%	0.457	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-22.6	-176.9	-62.1	-176.4	65	-160.8	5.8	112.5	S245 Y296 E301	S245-R247 PolarHBondContact O-N 3.25Å; S245-R247 PolarHBondContact OG-N 3.33Å; R247-Y296 PolarHBondContact NH2-OH 3.04Å; R247-E301 WeakPolarHBondContact CD-OE1 3.04Å; R247-E301 IonicContact CZ-OE1 2.92Å; R247-E301 IonicContact NE-OE1 2.78Å; R247-E301 IonicContact NH1-OE1 3.13Å; R247-E301 PolarHBondContact NH1-OE1 2.95Å
248	Y	83.6	Confident	87.7	Confident	18 Å²	18	34.3 Å²	34.3	7%	0.071	17%	0.172	C	C	.	.			trans	-96.9	130.2	175.1	178.5	-113.4	0	0	0	109.9	A242 H244 S245 M250 I277 Q280 V302	A242-Y248 HydrophobicContact CB-CE1 4.49Å; H244-Y248 HydrophobicContact CB-CD1 3.61Å; H244-Y248 HydrophobicContact CB-CG 4.41Å; H244-Y248 PolarHBondContact CE1-O 3.5Å; H244-Y248 AromaticContact CG-CD1 3.69Å; H244-Y248 PolarHBondContact ND1-O 3.01Å; S245-Y248 PolarHBondContact O-N 3.02Å; Y248-M250 HydrophobicContact CE1-CB 3.99Å; Y248-I277 VanDerWaalsContact OH-CG1 3.24Å; Y248-I277 WeakPolarHBondContact OH-CG1 3.45Å; Y248-Q280 HydrophobicContact CD2-CB 4.19Å; Y248-Q280 HydrophobicContact CD2-CG 3.7Å; Y248-Q280 HydrophobicContact CE2-CB 4.3Å; Y248-Q280 HydrophobicContact CE2-CG 3.53Å; Y248-V302 HydrophobicContact CD1-CG2 3.81Å; Y248-V302 HydrophobicContact CE1-CG2 4Å; Y248-V302 HydrophobicContact CG-CG2 4.28Å
249	I	85.3	Confident	87.6	Confident	67 Å²	67	38.3 Å²	38.3	34%	0.344	19%	0.193	S	C	.	.			trans	-122.9	113.2	175.1	-60.1	172.8	0	0	0	105.8	Y190 A252	Y190-I249 HydrophobicContact CE2-CD1 3.96Å; I249-A252 HydrophobicContact CG2-CB 4Å
250	M	89.1	Confident	87.5	Confident	10 Å²	10	38 Å²	38	5%	0.049	19%	0.191	C	C	.	.	S	Bend	trans	-66.6	-55.4	177.9	-173.9	-179.6	172.8	0	0	109.9	I240 Y248 Y273 I277	I240-M250 HydrophobicContact CG1-CE 4.36Å; I240-M250 HydrophobicContact CG2-CE 3.99Å; Y248-M250 HydrophobicContact CE1-CB 3.99Å; M250-Y273 VanDerWaalsContact C-OH 3.3Å; M250-Y273 HydrophobicContact CE-CD1 3.91Å; M250-Y273 HydrophobicContact CE-CD2 4.15Å; M250-Y273 HydrophobicContact CE-CE1 3.54Å; M250-Y273 HydrophobicContact CE-CE2 3.77Å; M250-Y273 HydrophobicContact CE-CG 4.22Å; M250-Y273 VanDerWaalsContact CE-CZ 3.47Å; M250-Y273 HydrophobicContact CG-CE1 3.47Å; M250-Y273 VanDerWaalsContact CG-CE1 3.47Å; M250-Y273 VanDerWaalsContact CG-OH 3.24Å; M250-Y273 WeakPolarHBondContact CG-OH 3.5Å; M250-Y273 PolarHBondContact O-OH 3.06Å; M250-Y273 HydrophobicContact SD-CE1 4.36Å; M250-I277 HydrophobicContact CE-CD1 4.28Å
251	W	92	Very high	87.4	Confident	9 Å²	9	38 Å²	38	3%	0.034	19%	0.191	C	C	.	.			trans	-154.2	162.2	171.3	61.5	-88.2	0	0	0	108.3	Y253 L335 S350 F372 I395	W251-Y253 AromaticContact CH2-CE2 3.96Å; W251-Y253 HydrophobicContact CH2-CE2 3.96Å; W251-Y253 AromaticContact CZ3-CD2 3.98Å; W251-Y253 HydrophobicContact CZ3-CD2 3.98Å; W251-Y253 AromaticContact CZ3-CE2 3.72Å; W251-Y253 HydrophobicContact CZ3-CE2 3.72Å; W251-L335 PolarHBondContact NE1-O 2.96Å; W251-S350 VanDerWaalsContact O-CB 3.28Å; W251-S350 WeakPolarHBondContact O-CB 3.38Å; W251-S350 PolarHBondContact O-OG 3.27Å; W251-F372 HydrophobicContact CD2-CZ 4.14Å; W251-F372 HydrophobicContact CE3-CE1 4.48Å; W251-F372 HydrophobicContact CE3-CE2 4.22Å; W251-F372 AromaticContact CE3-CZ 3.96Å; W251-F372 HydrophobicContact CE3-CZ 3.96Å; W251-F372 HydrophobicContact CH2-CD1 4.06Å; W251-F372 AromaticContact CH2-CE1 3.35Å; W251-F372 HydrophobicContact CH2-CE1 3.35Å; W251-F372 HydrophobicContact CH2-CE2 4.47Å; W251-F372 AromaticContact CH2-CZ 3.59Å; W251-F372 HydrophobicContact CH2-CZ 3.59Å; W251-F372 AromaticContact CZ2-CE1 3.76Å; W251-F372 HydrophobicContact CZ2-CE1 3.76Å; W251-F372 AromaticContact CZ2-CZ 3.77Å; W251-F372 HydrophobicContact CZ2-CZ 3.77Å; W251-F372 HydrophobicContact CZ3-CD1 4.25Å; W251-F372 AromaticContact CZ3-CE1 3.76Å; W251-F372 HydrophobicContact CZ3-CE1 3.76Å; W251-F372 HydrophobicContact CZ3-CE2 4.14Å; W251-F372 AromaticContact CZ3-CZ 3.69Å; W251-F372 HydrophobicContact CZ3-CZ 3.69Å; W251-I395 HydrophobicContact CB-CD1 4.18Å
252	A	81.1	Confident	87.3	Confident	13 Å²	13	41 Å²	41	11%	0.107	20%	0.204	C	C	.	.			trans	-151.2	154.2	175.4	0	0	0	0	0	110.5	I249 G255	I249-A252 HydrophobicContact CG2-CB 4Å; A252-G255 PolarHBondContact O-N 2.8Å; A252-G255 VanDerWaalsContact O-N 3.08Å
253	Y	76.1	Confident	87.2	Confident	56 Å²	56	44.2 Å²	44.2	22%	0.22	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	138.6	172.3	-68.3	-88.9	0	0	0	110.5	I181 T185 W251 G255 F372 A397	I181-Y253 HydrophobicContact CG2-CE1 4.41Å; T185-Y253 HydrophobicContact CG2-CD1 4.03Å; T185-Y253 HydrophobicContact CG2-CD2 3.11Å; T185-Y253 HydrophobicContact CG2-CE1 4.2Å; T185-Y253 HydrophobicContact CG2-CE2 3.33Å; T185-Y253 HydrophobicContact CG2-CG 3.47Å; T185-Y253 VanDerWaalsContact CG2-CG 3.47Å; W251-Y253 AromaticContact CH2-CE2 3.96Å; W251-Y253 HydrophobicContact CH2-CE2 3.96Å; W251-Y253 AromaticContact CZ3-CD2 3.98Å; W251-Y253 HydrophobicContact CZ3-CD2 3.98Å; W251-Y253 AromaticContact CZ3-CE2 3.72Å; W251-Y253 HydrophobicContact CZ3-CE2 3.72Å; Y253-G255 PolarHBondContact O-N 3.46Å; Y253-G255 VanDerWaalsContact O-N 3.12Å; Y253-F372 HydrophobicContact CE1-CB 4.11Å; Y253-F372 HydrophobicContact CE1-CG 4.49Å; Y253-A397 HydrophobicContact CD1-CB 4.4Å; Y253-A397 HydrophobicContact CE1-CB 3.95Å
254	G	76.9	Confident	87.3	Confident	53 Å²	53	44.2 Å²	44.2	55%	0.546	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	-8.6	-173.1	0	0	0	0	0	114.7	I395	G254-I395 PolarHBondContact N-O 2.68Å
255	G	81.3	Confident	87.5	Confident	26 Å²	26	44.2 Å²	44.2	27%	0.268	22%	0.22	S	C	.	.	S	Bend	trans	-77.8	170	169.3	0	0	0	0	0	112	A252 Y253 P394 I395	A252-G255 PolarHBondContact O-N 2.8Å; A252-G255 VanDerWaalsContact O-N 3.08Å; Y253-G255 PolarHBondContact O-N 3.46Å; Y253-G255 VanDerWaalsContact O-N 3.12Å; G255-P394 CarbonylContact O-C 3.34Å; G255-P394 WeakPolarHBondContact O-CA 3.01Å; G255-I395 WeakPolarHBondContact O-CG1 3.45Å; G255-I395 PolarHBondContact O-N 2.66Å
256	Y	87.9	Confident	87.9	Confident	159 Å²	159	44.9 Å²	44.9	62%	0.624	22%	0.223	S	C	*	.	B	Isolated β-bridge	trans	-98.6	143.4	175.7	-64.9	-87.5	0	0	0	110.7	S258 R392 P394	Y256-S258 PolarHBondContact O-N 3.26Å; Y256-R392 WeakPolarHBondContact CE1-O 3.41Å; Y256-P394 HydrophobicContact CE1-CG 3.83Å
257	A	91.3	Very high	88.3	Confident	6 Å²	6	41 Å²	41	5%	0.05	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-64.4	130.1	175.9	0	0	0	0	0	112	M261 A374 V376 R392	A257-M261 HydrophobicContact CB-CB 3.96Å; A257-M261 HydrophobicContact CB-CG 3.69Å; A257-A374 WeakPolarHBondContact CB-O 3.34Å; A257-V376 HydrophobicContact CB-CG1 3.67Å; A257-R392 PolarHBondContact O-NH1 2.99Å
258	S	92.5	Very high	88.9	Confident	38 Å²	38	35.6 Å²	35.6	27%	0.266	19%	0.19	S	C	.	.			trans	-67.6	174.4	167.1	71.5	0	0	0	0	111.8	Y256 G260 M261 K262 E276 R392	Y256-S258 PolarHBondContact O-N 3.26Å; S258-G260 VanDerWaalsContact C-N 3.31Å; S258-M261 PolarHBondContact O-N 2.96Å; S258-M261 PolarHBondContact OG-N 2.94Å; S258-K262 WeakPolarHBondContact O-CB 3.22Å; S258-K262 PolarHBondContact O-N 2.95Å; S258-E276 VanDerWaalsContact CB-OE2 3.28Å; S258-E276 WeakPolarHBondContact CB-OE2 3.31Å; S258-E276 PolarHBondContact OG-OE2 3.28Å; S258-R392 VanDerWaalsContact C-NH1 3.32Å; S258-R392 PolarHBondContact O-NH1 3.28Å
259	D	91.6	Very high	89.3	Confident	96 Å²	96	35 Å²	35	51%	0.513	19%	0.189	S	C	.	.	H	α-helix	trans	-67.5	-35.4	177.2	-68.5	-17.8	0	0	0	111.3	K262 E263 E276 R392	D259-K262 WeakPolarHBondContact O-CB 3.41Å; D259-K262 PolarHBondContact O-N 2.87Å; D259-E263 WeakPolarHBondContact O-CG 3.23Å; D259-E263 PolarHBondContact O-N 3.26Å; D259-E276 PolarHBondContact N-OE1 2.86Å; D259-E276 VanDerWaalsContact N-OE1 3.13Å; D259-R392 IonicContact OD1-CZ 2.67Å; D259-R392 VanDerWaalsContact OD1-CZ 3.25Å; D259-R392 IonicContact OD1-NH1 3.71Å; D259-R392 PolarHBondContact OD1-NH1 3.43Å; D259-R392 IonicContact OD1-NH2 3.05Å; D259-R392 PolarHBondContact OD1-NH2 3.19Å
260	G	93.3	Very high	89.6	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65.3	-43	171.7	0	0	0	0	0	112.4	S258 K262 E263 L264 Y273 E276	S258-G260 VanDerWaalsContact C-N 3.31Å; G260-K262 VanDerWaalsContact C-N 3.33Å; G260-E263 PolarHBondContact O-N 2.74Å; G260-L264 WeakPolarHBondContact O-CB 3.23Å; G260-L264 PolarHBondContact O-N 3.07Å; G260-Y273 VanDerWaalsContact O-CD2 3.32Å; G260-Y273 WeakPolarHBondContact O-CD2 3.28Å; G260-E276 WeakPolarHBondContact CA-OE2 3.45Å; G260-E276 PolarHBondContact N-OE1 2.94Å; G260-E276 PolarHBondContact N-OE2 2.83Å
261	M	95.1	Very high	89.6	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.2	-38.9	174.4	-176.5	63.7	-168.4	0	0	111.8	A257 S258 L264 A265 Y273 V346 F372 A374	A257-M261 HydrophobicContact CB-CB 3.96Å; A257-M261 HydrophobicContact CB-CG 3.69Å; S258-M261 PolarHBondContact O-N 2.96Å; S258-M261 PolarHBondContact OG-N 2.94Å; M261-L264 PolarHBondContact O-N 3.1Å; M261-L264 HydrophobicContact SD-CD2 4.42Å; M261-A265 VanDerWaalsContact O-CB 3.26Å; M261-A265 WeakPolarHBondContact O-CB 3.18Å; M261-A265 PolarHBondContact O-N 3.11Å; M261-Y273 HydrophobicContact CB-CD2 4.4Å; M261-Y273 HydrophobicContact CB-CE2 3.63Å; M261-Y273 HydrophobicContact CG-CE2 4.27Å; M261-Y273 HydrophobicContact SD-CE2 3.72Å; M261-V346 HydrophobicContact CE-CB 4.02Å; M261-V346 HydrophobicContact CE-CG1 3.99Å; M261-V346 HydrophobicContact CE-CG2 3.76Å; M261-F372 HydrophobicContact CE-CE2 3.52Å; M261-F372 HydrophobicContact CE-CZ 4.05Å; M261-A374 HydrophobicContact CE-CB 3.87Å
262	K	93.9	Very high	89.6	Confident	63 Å²	63	35.9 Å²	35.9	27%	0.274	20%	0.197	S	C	.	.	H	α-helix	trans	-60.2	-52.6	174	179.2	-175.2	178.1	-163.8	0	111.6	S258 D259 G260 L264 A265 E266 V376	S258-K262 WeakPolarHBondContact O-CB 3.22Å; S258-K262 PolarHBondContact O-N 2.95Å; D259-K262 WeakPolarHBondContact O-CB 3.41Å; D259-K262 PolarHBondContact O-N 2.87Å; G260-K262 VanDerWaalsContact C-N 3.33Å; K262-L264 PolarHBondContact O-N 2.89Å; K262-A265 PolarHBondContact O-N 3.12Å; K262-E266 VanDerWaalsContact CE-CD 3.44Å; K262-E266 WeakPolarHBondContact CE-OE1 3.48Å; K262-E266 WeakPolarHBondContact CE-OE2 3.24Å; K262-E266 HydrophobicContact CG-CG 4.32Å; K262-E266 WeakPolarHBondContact CG-OE1 3.26Å; K262-E266 IonicContact NZ-OE1 2.66Å; K262-E266 WeakPolarHBondContact O-CB 3.41Å; K262-E266 WeakPolarHBondContact O-CG 3.43Å; K262-E266 PolarHBondContact O-N 2.79Å; K262-V376 HydrophobicContact CB-CG1 4.03Å; K262-V376 HydrophobicContact CG-CB 4.06Å; K262-V376 HydrophobicContact CG-CG1 4.04Å; K262-V376 HydrophobicContact CG-CG2 4.27Å
263	E	92.6	Very high	90.2	Very high	69 Å²	69	35.3 Å²	35.3	32%	0.322	19%	0.192	S	C	.	.	H	α-helix	trans	-61.4	-33.7	179.5	-75.1	-70.8	156	0	0	112.7	D259 G260 W267 G268 S269 A272	D259-E263 WeakPolarHBondContact O-CG 3.23Å; D259-E263 PolarHBondContact O-N 3.26Å; G260-E263 PolarHBondContact O-N 2.74Å; E263-W267 WeakPolarHBondContact O-CB 3.36Å; E263-W267 PolarHBondContact O-N 2.9Å; E263-G268 PolarHBondContact O-N 2.78Å; E263-S269 WeakPolarHBondContact O-CB 3.43Å; E263-S269 PolarHBondContact O-N 2.77Å; E263-S269 VanDerWaalsContact O-N 3.12Å; E263-A272 HydrophobicContact CB-CB 3.99Å; E263-A272 HydrophobicContact CG-CB 3.9Å
264	L	95.3	Very high	90.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-69.2	-50.2	172.8	-179	69.1	0	0	0	111.4	I240 G260 M261 K262 G268 S269 T270 Y273 A336 M338	I240-L264 HydrophobicContact CG2-CD1 4.02Å; I240-L264 HydrophobicContact CG2-CD2 3.6Å; I240-L264 HydrophobicContact CG2-CG 4.41Å; G260-L264 WeakPolarHBondContact O-CB 3.23Å; G260-L264 PolarHBondContact O-N 3.07Å; M261-L264 PolarHBondContact O-N 3.1Å; M261-L264 HydrophobicContact SD-CD2 4.42Å; K262-L264 PolarHBondContact O-N 2.89Å; L264-G268 WeakPolarHBondContact O-CA 3.34Å; L264-G268 PolarHBondContact O-N 2.89Å; L264-S269 WeakPolarHBondContact CA-O 3.37Å; L264-S269 PolarHBondContact N-O 3.39Å; L264-T270 HydrophobicContact CD1-CG2 4Å; L264-Y273 HydrophobicContact CB-CD2 4.14Å; L264-Y273 HydrophobicContact CD2-CD2 4Å; L264-Y273 HydrophobicContact CD2-CE2 4.2Å; L264-A336 HydrophobicContact CD2-CB 3.67Å; L264-M338 WeakPolarHBondContact O-CB 3.41Å
265	A	95.3	Very high	91.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-68.4	-40.5	-174.1	0	0	0	0	0	112.9	M261 K262 M338 D344 V346 A374 V376	M261-A265 VanDerWaalsContact O-CB 3.26Å; M261-A265 WeakPolarHBondContact O-CB 3.18Å; M261-A265 PolarHBondContact O-N 3.11Å; K262-A265 PolarHBondContact O-N 3.12Å; A265-M338 WeakPolarHBondContact O-CE 3.48Å; A265-M338 VanDerWaalsContact O-CG 3.32Å; A265-M338 WeakPolarHBondContact O-CG 3.21Å; A265-M338 VanDerWaalsContact O-SD 3.4Å; A265-D344 HydrophobicContact CB-CB 4.13Å; A265-V346 HydrophobicContact CB-CG2 3.64Å; A265-A374 HydrophobicContact CB-CB 3.59Å; A265-V376 HydrophobicContact CB-CG2 4.15Å
266	E	91.7	Very high	91.8	Very high	13 Å²	13	37.5 Å²	37.5	6%	0.061	18%	0.183	C	C	.	.	H	α-helix	trans	-78.3	-39.8	-179.1	-67.4	178.2	178.9	0	0	112.1	K262 M338 V376	K262-E266 VanDerWaalsContact CE-CD 3.44Å; K262-E266 WeakPolarHBondContact CE-OE1 3.48Å; K262-E266 WeakPolarHBondContact CE-OE2 3.24Å; K262-E266 HydrophobicContact CG-CG 4.32Å; K262-E266 WeakPolarHBondContact CG-OE1 3.26Å; K262-E266 IonicContact NZ-OE1 2.66Å; K262-E266 WeakPolarHBondContact O-CB 3.41Å; K262-E266 WeakPolarHBondContact O-CG 3.43Å; K262-E266 PolarHBondContact O-N 2.79Å; E266-M338 WeakPolarHBondContact O-CE 3.31Å; E266-V376 HydrophobicContact CG-CG2 3.83Å
267	W	89.5	Confident	91.9	Very high	44 Å²	44	30 Å²	30	17%	0.167	15%	0.153	C	C	.	.	H	α-helix	trans	-123.9	-10.4	-165.4	-48.5	112.9	0	0	0	115.1	E263 S269 Q512 F513 N515	E263-W267 WeakPolarHBondContact O-CB 3.36Å; E263-W267 PolarHBondContact O-N 2.9Å; W267-S269 PolarHBondContact O-N 2.8Å; W267-Q512 HydrophobicContact CB-CG 4.3Å; W267-Q512 WeakPolarHBondContact O-CG 3.45Å; W267-F513 HydrophobicContact CE3-CD1 4.37Å; W267-F513 VanDerWaalsContact O-CB 3.3Å; W267-F513 WeakPolarHBondContact O-CB 2.93Å; W267-F513 PolarHBondContact O-N 3.08Å; W267-N515 HydrophobicContact CH2-CB 3.9Å; W267-N515 WeakPolarHBondContact CH2-ND2 3.38Å; W267-N515 HydrophobicContact CZ3-CB 3.86Å; W267-N515 VanDerWaalsContact CZ3-ND2 3.26Å; W267-N515 WeakPolarHBondContact CZ3-ND2 3.46Å
268	G	91.9	Very high	91.6	Very high	7 Å²	7	34.5 Å²	34.5	7%	0.072	17%	0.169	C	C	.	.			trans	71.7	20.4	-171.4	0	0	0	0	0	112.8	E263 L264 M338	E263-G268 PolarHBondContact O-N 2.78Å; L264-G268 WeakPolarHBondContact O-CA 3.34Å; L264-G268 PolarHBondContact O-N 2.89Å; G268-M338 PolarHBondContact N-SD 3.46Å
269	S	91.7	Very high	90.9	Very high	7 Å²	7	37.3 Å²	37.3	5%	0.049	18%	0.178	C	C	.	.			trans	-81.8	120.6	-179.8	-170.2	0	0	0	0	111.2	E263 L264 W267	E263-S269 WeakPolarHBondContact O-CB 3.43Å; E263-S269 PolarHBondContact O-N 2.77Å; E263-S269 VanDerWaalsContact O-N 3.12Å; L264-S269 WeakPolarHBondContact CA-O 3.37Å; L264-S269 PolarHBondContact N-O 3.39Å; W267-S269 PolarHBondContact O-N 2.8Å
270	T	92.3	Very high	89.8	Confident	3 Å²	3	36.5 Å²	36.5	2%	0.018	17%	0.172	C	C	.	.			trans	-91.2	-10.1	176.7	58.1	0	0	0	0	113.4	D238 I240 L264 E274	D238-T270 HydrophobicContact CB-CG2 3.82Å; D238-T270 WeakPolarHBondContact O-CG2 3.46Å; I240-T270 HydrophobicContact CB-CG2 3.89Å; I240-T270 HydrophobicContact CG2-CG2 4.12Å; L264-T270 HydrophobicContact CD1-CG2 4Å; T270-E274 VanDerWaalsContact O-CB 3.24Å; T270-E274 WeakPolarHBondContact O-CB 3.45Å; T270-E274 PolarHBondContact O-N 2.8Å
271	Q	89.4	Confident	88.2	Confident	71 Å²	71	38 Å²	38	33%	0.332	18%	0.181	S	C	.	.	H	α-helix	trans	-66	-49.5	-170.3	-78	166.5	86.2	0	0	113.5	Y273 E274 Q275 R489	Q271-Y273 VanDerWaalsContact C-N 3.34Å; Q271-E274 PolarHBondContact O-N 2.72Å; Q271-Q275 PolarHBondContact O-N 2.87Å; Q271-R489 VanDerWaalsContact NE2-CZ 3.33Å
272	A	91.5	Very high	86	Confident	30 Å²	30	40.6 Å²	40.6	25%	0.248	21%	0.207	C	C	.	.	H	α-helix	trans	-63	-44.4	-179.6	0	0	0	0	0	110.5	E263 E274 Q275 E276	E263-A272 HydrophobicContact CB-CB 3.99Å; E263-A272 HydrophobicContact CG-CB 3.9Å; A272-E274 PolarHBondContact O-N 2.54Å; A272-Q275 WeakPolarHBondContact O-CB 3.47Å; A272-Q275 PolarHBondContact O-N 2.82Å; A272-Q275 VanDerWaalsContact O-N 3.17Å; A272-E276 WeakPolarHBondContact O-CG 3.02Å; A272-E276 PolarHBondContact O-N 2.8Å
273	Y	93	Very high	83.6	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.6	-41	177	-141.2	-36.3	0	0	0	112.5	I240 M250 G260 M261 L264 Q271 Q275 E276 I277	I240-Y273 HydrophobicContact CG2-CD2 4.24Å; I240-Y273 HydrophobicContact CG2-CG 4.44Å; M250-Y273 VanDerWaalsContact C-OH 3.3Å; M250-Y273 HydrophobicContact CE-CD1 3.91Å; M250-Y273 HydrophobicContact CE-CD2 4.15Å; M250-Y273 HydrophobicContact CE-CE1 3.54Å; M250-Y273 HydrophobicContact CE-CE2 3.77Å; M250-Y273 HydrophobicContact CE-CG 4.22Å; M250-Y273 VanDerWaalsContact CE-CZ 3.47Å; M250-Y273 HydrophobicContact CG-CE1 3.47Å; M250-Y273 VanDerWaalsContact CG-CE1 3.47Å; M250-Y273 VanDerWaalsContact CG-OH 3.24Å; M250-Y273 WeakPolarHBondContact CG-OH 3.5Å; M250-Y273 PolarHBondContact O-OH 3.06Å; M250-Y273 HydrophobicContact SD-CE1 4.36Å; G260-Y273 VanDerWaalsContact O-CD2 3.32Å; G260-Y273 WeakPolarHBondContact O-CD2 3.28Å; M261-Y273 HydrophobicContact CB-CD2 4.4Å; M261-Y273 HydrophobicContact CB-CE2 3.63Å; M261-Y273 HydrophobicContact CG-CE2 4.27Å; M261-Y273 HydrophobicContact SD-CE2 3.72Å; L264-Y273 HydrophobicContact CB-CD2 4.14Å; L264-Y273 HydrophobicContact CD2-CD2 4Å; L264-Y273 HydrophobicContact CD2-CE2 4.2Å; Q271-Y273 VanDerWaalsContact C-N 3.34Å; Y273-Q275 VanDerWaalsContact C-N 3.26Å; Y273-Q275 PolarHBondContact O-N 3.27Å; Y273-E276 PolarHBondContact O-N 3Å; Y273-I277 HydrophobicContact CD1-CD1 3.98Å; Y273-I277 HydrophobicContact CD1-CG1 4.07Å; Y273-I277 HydrophobicContact CE1-CG1 4.48Å; Y273-I277 VanDerWaalsContact O-CG1 3.28Å; Y273-I277 WeakPolarHBondContact O-CG1 3.47Å; Y273-I277 PolarHBondContact O-N 3.35Å
274	E	91.7	Very high	81.1	Confident	22 Å²	22	44.9 Å²	44.9	10%	0.103	24%	0.236	C	C	.	.	H	α-helix	trans	-61.9	-36.9	175.7	-168	-175.1	163	0	0	111.6	I240 T270 Q271 A272 R278 I305 K307	I240-E274 HydrophobicContact CD1-CB 4.34Å; T270-E274 VanDerWaalsContact O-CB 3.24Å; T270-E274 WeakPolarHBondContact O-CB 3.45Å; T270-E274 PolarHBondContact O-N 2.8Å; Q271-E274 PolarHBondContact O-N 2.72Å; A272-E274 PolarHBondContact O-N 2.54Å; E274-R278 VanDerWaalsContact CG-NH1 3.27Å; E274-R278 WeakPolarHBondContact O-CG 3.25Å; E274-R278 PolarHBondContact O-N 2.83Å; E274-R278 VanDerWaalsContact O-N 3.09Å; E274-R278 IonicContact OE1-CZ 3.68Å; E274-R278 IonicContact OE1-NH1 2.63Å; E274-R278 PolarHBondContact OE1-NH1 2.95Å; E274-R278 IonicContact OE1-NH2 3.91Å; E274-R278 PolarHBondContact OE1-NH2 2.85Å; E274-I305 HydrophobicContact CG-CG2 4.37Å; E274-K307 IonicContact OE1-NZ 2.89Å; E274-K307 IonicContact OE2-NZ 2.96Å; E274-K307 PolarHBondContact OE2-NZ 2.97Å
275	Q	88.1	Confident	78.5	Confident	117 Å²	117	49 Å²	49	55%	0.547	26%	0.257	S	S	.	.	H	α-helix	trans	-67.3	-45.5	173.1	-178.2	174.1	-16.8	0	0	111.7	Q271 A272 Y273 I277 R278 E279	Q271-Q275 PolarHBondContact O-N 2.87Å; A272-Q275 WeakPolarHBondContact O-CB 3.47Å; A272-Q275 PolarHBondContact O-N 2.82Å; A272-Q275 VanDerWaalsContact O-N 3.17Å; Y273-Q275 VanDerWaalsContact C-N 3.26Å; Y273-Q275 PolarHBondContact O-N 3.27Å; Q275-I277 VanDerWaalsContact C-N 3.32Å; Q275-I277 PolarHBondContact O-N 3.13Å; Q275-R278 CarbonylContact O-C 3.57Å; Q275-R278 PolarHBondContact O-N 2.64Å; Q275-R278 VanDerWaalsContact O-N 3.1Å; Q275-E279 HydrophobicContact CG-CG 4.37Å; Q275-E279 WeakPolarHBondContact CG-OE1 3.38Å; Q275-E279 PolarHBondContact NE2-OE1 3.21Å; Q275-E279 WeakPolarHBondContact O-CG 3.48Å; Q275-E279 PolarHBondContact O-N 3.34Å
276	E	89.1	Confident	75.8	Confident	43 Å²	43	57.2 Å²	57.2	20%	0.201	30%	0.296	C	S	.	.	H	α-helix	trans	-56.7	-45.1	175.7	-71.5	-176.4	168.4	0	0	112	S258 D259 G260 A272 Y273 R278 E279 Q280	S258-E276 VanDerWaalsContact CB-OE2 3.28Å; S258-E276 WeakPolarHBondContact CB-OE2 3.31Å; S258-E276 PolarHBondContact OG-OE2 3.28Å; D259-E276 PolarHBondContact N-OE1 2.86Å; D259-E276 VanDerWaalsContact N-OE1 3.13Å; G260-E276 WeakPolarHBondContact CA-OE2 3.45Å; G260-E276 PolarHBondContact N-OE1 2.94Å; G260-E276 PolarHBondContact N-OE2 2.83Å; A272-E276 WeakPolarHBondContact O-CG 3.02Å; A272-E276 PolarHBondContact O-N 2.8Å; Y273-E276 PolarHBondContact O-N 3Å; E276-R278 VanDerWaalsContact C-N 3.33Å; E276-R278 PolarHBondContact O-N 3.37Å; E276-E279 PolarHBondContact O-N 2.9Å; E276-Q280 PolarHBondContact O-N 2.86Å
277	I	89	Confident	73.3	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-61.1	-43.5	176.6	-67.5	163.1	0	0	0	110.4	I240 A242 Y248 M250 Y273 Q275 E279 Q280 V302 I305	I240-I277 HydrophobicContact CD1-CD1 4.24Å; I240-I277 HydrophobicContact CG1-CD1 3.99Å; A242-I277 HydrophobicContact CB-CG2 4.34Å; Y248-I277 VanDerWaalsContact OH-CG1 3.24Å; Y248-I277 WeakPolarHBondContact OH-CG1 3.45Å; M250-I277 HydrophobicContact CE-CD1 4.28Å; Y273-I277 HydrophobicContact CD1-CD1 3.98Å; Y273-I277 HydrophobicContact CD1-CG1 4.07Å; Y273-I277 HydrophobicContact CE1-CG1 4.48Å; Y273-I277 VanDerWaalsContact O-CG1 3.28Å; Y273-I277 WeakPolarHBondContact O-CG1 3.47Å; Y273-I277 PolarHBondContact O-N 3.35Å; Q275-I277 VanDerWaalsContact C-N 3.32Å; Q275-I277 PolarHBondContact O-N 3.13Å; I277-E279 VanDerWaalsContact C-N 3.35Å; I277-Q280 PolarHBondContact O-N 3.05Å; I277-V302 HydrophobicContact CG2-CB 4.37Å; I277-V302 HydrophobicContact CG2-CG1 3.83Å; I277-V302 HydrophobicContact CG2-CG2 3.97Å; I277-I305 HydrophobicContact CB-CD1 4.47Å; I277-I305 HydrophobicContact CD1-CG2 4.44Å; I277-I305 HydrophobicContact CG2-CD1 3.84Å; I277-I305 HydrophobicContact CG2-CG1 3.76Å
278	R	84.6	Confident	70.7	Confident	101 Å²	101	66.4 Å²	66.4	38%	0.381	35%	0.347	S	S	.	.	H	α-helix	trans	-68.3	-31.8	177.7	-77.5	-169.3	179.2	105.8	8.1	113.1	E274 Q275 E276 Q280 V281 I305	E274-R278 VanDerWaalsContact CG-NH1 3.27Å; E274-R278 WeakPolarHBondContact O-CG 3.25Å; E274-R278 PolarHBondContact O-N 2.83Å; E274-R278 VanDerWaalsContact O-N 3.09Å; E274-R278 IonicContact OE1-CZ 3.68Å; E274-R278 IonicContact OE1-NH1 2.63Å; E274-R278 PolarHBondContact OE1-NH1 2.95Å; E274-R278 IonicContact OE1-NH2 3.91Å; E274-R278 PolarHBondContact OE1-NH2 2.85Å; Q275-R278 CarbonylContact O-C 3.57Å; Q275-R278 PolarHBondContact O-N 2.64Å; Q275-R278 VanDerWaalsContact O-N 3.1Å; E276-R278 VanDerWaalsContact C-N 3.33Å; E276-R278 PolarHBondContact O-N 3.37Å; R278-Q280 PolarHBondContact O-N 3.35Å; R278-V281 WeakPolarHBondContact O-CB 3.33Å; R278-V281 PolarHBondContact O-N 3.4Å; R278-I305 HydrophobicContact CG-CD1 3.58Å
279	E	79.1	Confident	68.1	Low	98 Å²	98	75 Å²	75	46%	0.458	39%	0.386	S	S	.	.	H	α-helix	trans	-64.9	-32.8	176.9	-75.7	172.4	-172.8	0	0	111	Q275 E276 I277 V281 G282 V283	Q275-E279 HydrophobicContact CG-CG 4.37Å; Q275-E279 WeakPolarHBondContact CG-OE1 3.38Å; Q275-E279 PolarHBondContact NE2-OE1 3.21Å; Q275-E279 WeakPolarHBondContact O-CG 3.48Å; Q275-E279 PolarHBondContact O-N 3.34Å; E276-E279 PolarHBondContact O-N 2.9Å; I277-E279 VanDerWaalsContact C-N 3.35Å; E279-V281 PolarHBondContact O-N 2.78Å; E279-G282 PolarHBondContact O-N 3.12Å; E279-V283 WeakPolarHBondContact O-CG2 3.34Å; E279-V283 PolarHBondContact O-N 3.02Å; E279-V283 VanDerWaalsContact O-N 3.12Å
280	Q	68.6	Low	65.6	Low	79 Å²	79	82 Å²	82	37%	0.369	42%	0.421	S	S	.	.	H	α-helix	trans	-69.2	-9.9	172.8	-57.8	-56.8	-45.2	0	0	114.6	Y248 E276 I277 R278	Y248-Q280 HydrophobicContact CD2-CB 4.19Å; Y248-Q280 HydrophobicContact CD2-CG 3.7Å; Y248-Q280 HydrophobicContact CE2-CB 4.3Å; Y248-Q280 HydrophobicContact CE2-CG 3.53Å; E276-Q280 PolarHBondContact O-N 2.86Å; I277-Q280 PolarHBondContact O-N 3.05Å; R278-Q280 PolarHBondContact O-N 3.35Å
281	V	58.6	Low	63.1	Low	32 Å²	32	86.3 Å²	86.3	19%	0.194	45%	0.45	C	S	.	.	H	α-helix	trans	-84	-26.8	171.6	-178.5	0	0	0	0	110.7	R278 E279 S300 V302 T453	R278-V281 WeakPolarHBondContact O-CB 3.33Å; R278-V281 PolarHBondContact O-N 3.4Å; E279-V281 PolarHBondContact O-N 2.78Å; V281-S300 WeakPolarHBondContact CG1-OG 2.96Å; V281-V302 HydrophobicContact CG2-CB 4.3Å; V281-T453 HydrophobicContact CB-CG2 4.44Å; V281-T453 HydrophobicContact CG1-CG2 4.14Å; V281-T453 HydrophobicContact CG2-CG2 3.42Å; V281-T453 VanDerWaalsContact CG2-CG2 3.42Å
282	G	49.5	Very low	60.4	Low	53 Å²	53	90.4 Å²	90.4	55%	0.546	47%	0.473	S	S	.	.	H	α-helix	trans	-120.4	6.8	-166.4	0	0	0	0	0	116.3	E279 L284	E279-G282 PolarHBondContact O-N 3.12Å; G282-L284 PolarHBondContact O-N 2.68Å
283	V	44	Very low	57.9	Low	62 Å²	62	100.8 Å²	100.8	38%	0.376	51%	0.505	S	S	.	.			trans	-60.3	108.1	-178.4	-174.8	0	0	0	0	110.6	E279 I285 Q298	E279-V283 WeakPolarHBondContact O-CG2 3.34Å; E279-V283 PolarHBondContact O-N 3.02Å; E279-V283 VanDerWaalsContact O-N 3.12Å; V283-I285 HydrophobicContact CG1-CG1 4.14Å; V283-Q298 PolarHBondContact O-OE1 3.27Å
284	L	40	Very low	55.2	Low	160 Å²	160	103 Å²	103	84%	0.838	53%	0.528	S	S	*	.			trans	-78.8	99.6	156.6	-82	147.5	0	0	0	107.2	G282 Q286	G282-L284 PolarHBondContact O-N 2.68Å; L284-Q286 VanDerWaalsContact C-N 3.3Å; L284-Q286 PolarHBondContact O-N 3.47Å
285	I	39.6	Very low	52.6	Low	86 Å²	86	106.1 Å²	106.1	44%	0.441	56%	0.558	S	S	.	*			trans	-65.4	100.1	161.9	-72.1	166.9	0	0	0	107.4	V283 F287 A288 Q298	V283-I285 HydrophobicContact CG1-CG1 4.14Å; I285-F287 HydrophobicContact CG2-CB 4.11Å; I285-F287 PolarHBondContact O-N 3.34Å; I285-F287 VanDerWaalsContact O-N 3.1Å; I285-A288 HydrophobicContact CG2-CB 4.32Å; I285-Q298 HydrophobicContact CD1-CG 4.44Å; I285-Q298 VanDerWaalsContact CD1-OE1 3.32Å; I285-Q298 VanDerWaalsContact N-OE1 3.08Å
286	Q	39.8	Very low	50.2	Low	174 Å²	174	107.6 Å²	107.6	81%	0.813	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	4.9	175.5	-146.5	170.4	-0.1	0	0	112.9	L284	L284-Q286 VanDerWaalsContact C-N 3.3Å; L284-Q286 PolarHBondContact O-N 3.47Å
287	F	38	Very low	48	Very low	193 Å²	193	109.5 Å²	109.5	85%	0.846	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.5	1.1	-174.9	-85.5	-80.8	0	0	0	116.2	I285 Q289	I285-F287 HydrophobicContact CG2-CB 4.11Å; I285-F287 PolarHBondContact O-N 3.34Å; I285-F287 VanDerWaalsContact O-N 3.1Å; F287-Q289 VanDerWaalsContact C-N 3.26Å; F287-Q289 PolarHBondContact O-N 3.14Å
288	A	35.3	Very low	46	Very low	56 Å²	56	113 Å²	113	46%	0.463	59%	0.587	S	S	.	*			trans	-89.7	24.5	177.7	0	0	0	0	0	113.9	I285 I290 C291	I285-A288 HydrophobicContact CG2-CB 4.32Å; A288-I290 PolarHBondContact O-N 2.92Å; A288-C291 PolarHBondContact O-N 3.38Å
289	Q	37.7	Very low	44.6	Very low	189 Å²	189	108.4 Å²	108.4	88%	0.883	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	8.3	-179.1	-166.3	145.6	-41.7	0	0	114.4	F287	F287-Q289 VanDerWaalsContact C-N 3.26Å; F287-Q289 PolarHBondContact O-N 3.14Å
290	I	38.4	Very low	44.2	Very low	153 Å²	153	104 Å²	104	79%	0.785	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.5	-1	179.3	-87	164.9	0	0	0	114.8	A288 I292	A288-I290 PolarHBondContact O-N 2.92Å; I290-I292 VanDerWaalsContact C-N 3.3Å; I290-I292 PolarHBondContact O-N 3.25Å
291	C	40.6	Very low	45	Very low	94 Å²	94	101 Å²	101	64%	0.635	54%	0.537	S	S	*	.			trans	-82.1	78.9	172.5	-71.2	0	0	0	0	111.9	A288 R293	A288-C291 PolarHBondContact O-N 3.38Å; C291-R293 PolarHBondContact O-N 3.44Å
292	I	33.1	Very low	46.4	Very low	156 Å²	156	99.6 Å²	99.6	80%	0.8	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	115.2	155.3	-65.1	166.4	0	0	0	107.4	I290	I290-I292 VanDerWaalsContact C-N 3.3Å; I290-I292 PolarHBondContact O-N 3.25Å
293	R	38.4	Very low	48.1	Very low	248 Å²	248	99.3 Å²	99.3	94%	0.936	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.3	14.3	171.6	-63.7	176.9	170.4	177.1	-2.5	121	C291	C291-R293 PolarHBondContact O-N 3.44Å
294	G	35.1	Very low	50.4	Low	46 Å²	46	96.3 Å²	96.3	47%	0.474	49%	0.493	S	S	.	.			trans	-169.8	102.4	168.1	0	0	0	0	0	112.2	Y296	G294-Y296 PolarHBondContact O-N 2.99Å
295	A	38.6	Very low	52.9	Low	88 Å²	88	88.7 Å²	88.7	73%	0.727	45%	0.453	S	S	*	.			trans	-59.4	110.9	172.1	0	0	0	0	0	108.7	L297	A295-L297 HydrophobicContact CB-CG 4.43Å; A295-L297 PolarHBondContact O-N 3.37Å
296	Y	37.2	Very low	55.6	Low	148 Å²	148	84.7 Å²	84.7	58%	0.58	43%	0.432	S	S	*	.			trans	-71.5	88.3	167.3	-164.5	-101.4	0	0	0	107.2	R247 G294 Q298	R247-Y296 PolarHBondContact NH2-OH 3.04Å; G294-Y296 PolarHBondContact O-N 2.99Å; Y296-Q298 HydrophobicContact CD1-CG 4.03Å; Y296-Q298 HydrophobicContact CE1-CG 4.15Å; Y296-Q298 PolarHBondContact O-N 3.13Å; Y296-Q298 VanDerWaalsContact O-N 3.15Å
297	L	43.4	Very low	58.1	Low	83 Å²	83	78.2 Å²	78.2	44%	0.435	40%	0.401	S	S	.	.			trans	-68.2	104.3	178.8	-75.7	148.5	0	0	0	108.1	A295 A299	A295-L297 HydrophobicContact CB-CG 4.43Å; A295-L297 PolarHBondContact O-N 3.37Å; L297-A299 PolarHBondContact O-N 2.89Å
298	Q	47.3	Very low	60.7	Low	73 Å²	73	69.5 Å²	69.5	34%	0.341	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-77.5	122.7	171.6	-76.3	-178.1	-73.8	0	0	109.6	V283 I285 Y296	V283-Q298 PolarHBondContact O-OE1 3.27Å; I285-Q298 HydrophobicContact CD1-CG 4.44Å; I285-Q298 VanDerWaalsContact CD1-OE1 3.32Å; I285-Q298 VanDerWaalsContact N-OE1 3.08Å; Y296-Q298 HydrophobicContact CD1-CG 4.03Å; Y296-Q298 HydrophobicContact CE1-CG 4.15Å; Y296-Q298 PolarHBondContact O-N 3.13Å; Y296-Q298 VanDerWaalsContact O-N 3.15Å
299	A	53.2	Low	63.3	Low	6 Å²	6	72.5 Å²	72.5	5%	0.05	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-87.8	159.8	177.7	0	0	0	0	0	110.8	L297 E301 Y329 L443	L297-A299 PolarHBondContact O-N 2.89Å; A299-E301 PolarHBondContact O-N 3.46Å; A299-E301 VanDerWaalsContact O-N 3.16Å; A299-Y329 HydrophobicContact CB-CE1 4.42Å; A299-L443 HydrophobicContact CB-CB 3.42Å; A299-L443 VanDerWaalsContact CB-CB 3.42Å; A299-L443 HydrophobicContact CB-CD1 4.04Å; A299-L443 HydrophobicContact CB-CD2 3.04Å; A299-L443 HydrophobicContact CB-CG 3.53Å
300	S	72.5	Confident	65.9	Low	6 Å²	6	64.1 Å²	64.1	4%	0.042	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-60.1	120.7	157.2	-171.5	0	0	0	0	107.7	V281 V302 H330 S446	V281-S300 WeakPolarHBondContact CG1-OG 2.96Å; S300-V302 PolarHBondContact O-N 2.71Å; S300-V302 PolarHBondContact OG-N 3.24Å; S300-V302 PolarHBondContact OG-O 3.48Å; S300-H330 PolarHBondContact O-NE2 3.33Å; S300-S446 WeakPolarHBondContact CB-OG 3.26Å
301	E	83.6	Confident	68.5	Low	15 Å²	15	57.4 Å²	57.4	7%	0.07	29%	0.294	C	S	.	.	S	Bend	trans	-83.9	-0.1	174.2	-58	-65.3	177.7	0	0	111.5	H244 S245 R247 A299 Y329 H330	H244-E301 CarbonylContact C-O 3.56Å; H244-E301 WeakPolarHBondContact CA-O 3.14Å; H244-E301 VanDerWaalsContact CB-O 3.24Å; H244-E301 WeakPolarHBondContact CB-O 3.32Å; S245-E301 VanDerWaalsContact CB-OE2 3.28Å; S245-E301 WeakPolarHBondContact CB-OE2 3.14Å; S245-E301 PolarHBondContact N-O 2.8Å; S245-E301 PolarHBondContact OG-OE2 3.09Å; R247-E301 WeakPolarHBondContact CD-OE1 3.04Å; R247-E301 IonicContact CZ-OE1 2.92Å; R247-E301 IonicContact NE-OE1 2.78Å; R247-E301 IonicContact NH1-OE1 3.13Å; R247-E301 PolarHBondContact NH1-OE1 2.95Å; A299-E301 PolarHBondContact O-N 3.46Å; A299-E301 VanDerWaalsContact O-N 3.16Å; E301-Y329 PolarHBondContact OE1-OH 3.09Å; E301-Y329 WeakPolarHBondContact OE2-CE1 3.26Å; E301-Y329 PolarHBondContact OE2-OH 3.37Å; E301-H330 PolarHBondContact O-CD2 3.03Å
302	V	87.9	Confident	70.8	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.012	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	133.2	-176.8	176.3	0	0	0	0	110.2	A242 H244 Y248 I277 V281 S300 I305 T453	A242-V302 HydrophobicContact CB-CG1 3.97Å; H244-V302 HydrophobicContact CB-CG2 4.21Å; Y248-V302 HydrophobicContact CD1-CG2 3.81Å; Y248-V302 HydrophobicContact CE1-CG2 4Å; Y248-V302 HydrophobicContact CG-CG2 4.28Å; I277-V302 HydrophobicContact CG2-CB 4.37Å; I277-V302 HydrophobicContact CG2-CG1 3.83Å; I277-V302 HydrophobicContact CG2-CG2 3.97Å; V281-V302 HydrophobicContact CG2-CB 4.3Å; S300-V302 PolarHBondContact O-N 2.71Å; S300-V302 PolarHBondContact OG-N 3.24Å; S300-V302 PolarHBondContact OG-O 3.48Å; V302-I305 HydrophobicContact CG1-CG1 4.31Å; V302-T453 HydrophobicContact CB-CG2 4.4Å; V302-T453 HydrophobicContact CG1-CG2 4.19Å; V302-T453 WeakPolarHBondContact O-CG2 3.45Å
303	R	87.1	Confident	73.1	Confident	47 Å²	47	50.5 Å²	50.5	18%	0.177	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-43.4	180	179.2	62.9	-177.1	87.1	-3.2	113.7	E207 S243 R325 D327 H330 E454	E207-R303 IonicContact OE1-CZ 2.67Å; E207-R303 VanDerWaalsContact OE1-CZ 3.27Å; E207-R303 IonicContact OE1-NE 3.22Å; E207-R303 PolarHBondContact OE1-NE 2.83Å; E207-R303 IonicContact OE1-NH2 2.78Å; E207-R303 PolarHBondContact OE1-NH2 2.63Å; E207-R303 IonicContact OE2-NH2 2.89Å; S243-R303 PolarHBondContact O-N 3.11Å; R303-R325 HydrophobicContact CG-CB 4.45Å; R303-D327 WeakPolarHBondContact CD-OD2 3.36Å; R303-D327 IonicContact NE-OD2 3.13Å; R303-H330 HydrophobicContact CB-CB 3.48Å; R303-H330 VanDerWaalsContact CB-CB 3.48Å; R303-H330 VanDerWaalsContact CB-CG 3.5Å; R303-H330 HydrophobicContact CG-CB 4.3Å; R303-E454 IonicContact NH1-OE2 3.62Å; R303-E454 PolarHBondContact NH1-OE2 3.49Å
304	T	91.7	Very high	75.2	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	133.7	179.1	-59.5	0	0	0	0	109.3	A242 S243 F324 R325 E454 L459	A242-T304 CarbonylContact C-O 3.59Å; A242-T304 VanDerWaalsContact CA-O 3.27Å; A242-T304 WeakPolarHBondContact CA-O 3.36Å; S243-T304 PolarHBondContact N-O 2.9Å; S243-T304 WeakPolarHBondContact OG-CB 3.33Å; S243-T304 PolarHBondContact OG-N 2.85Å; S243-T304 VanDerWaalsContact OG-N 3.13Å; T304-F324 HydrophobicContact CG2-CB 3.69Å; T304-R325 PolarHBondContact OG1-N 3.03Å; T304-E454 WeakPolarHBondContact CA-O 3.03Å; T304-E454 WeakPolarHBondContact CG2-O 3.36Å; T304-L459 HydrophobicContact CG2-CD1 3.53Å
305	I	93	Very high	77.5	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	117.5	169.7	-51.9	-176.4	0	0	0	108.3	I240 G241 E274 I277 R278 V302 K307 E454 T455 S456	I240-I305 HydrophobicContact CD1-CG2 3.79Å; G241-I305 CarbonylContact O-C 3.53Å; E274-I305 HydrophobicContact CG-CG2 4.37Å; I277-I305 HydrophobicContact CB-CD1 4.47Å; I277-I305 HydrophobicContact CD1-CG2 4.44Å; I277-I305 HydrophobicContact CG2-CD1 3.84Å; I277-I305 HydrophobicContact CG2-CG1 3.76Å; R278-I305 HydrophobicContact CG-CD1 3.58Å; V302-I305 HydrophobicContact CG1-CG1 4.31Å; I305-K307 HydrophobicContact CG2-CG 4.28Å; I305-E454 PolarHBondContact N-O 3.23Å; I305-T455 HydrophobicContact CB-CG2 4.3Å; I305-T455 CarbonylContact O-C 3.56Å; I305-T455 WeakPolarHBondContact O-CA 3.32Å; I305-S456 PolarHBondContact O-N 3Å; I305-S456 PolarHBondContact O-OG 3.04Å
306	I	95.6	Very high	79.8	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	120.6	-178.2	-53.5	177.6	0	0	0	108.7	V212 I240 G241 A322 F324 V333 S456	V212-I306 HydrophobicContact CG1-CG2 3.95Å; I240-I306 CarbonylContact C-O 3.56Å; I240-I306 WeakPolarHBondContact CA-O 3.31Å; G241-I306 PolarHBondContact N-O 2.79Å; G241-I306 PolarHBondContact O-N 2.87Å; I306-A322 HydrophobicContact CG2-CB 4.05Å; I306-F324 HydrophobicContact CD1-CB 4.18Å; I306-F324 HydrophobicContact CD1-CD1 3.95Å; I306-F324 HydrophobicContact CD1-CD2 4.01Å; I306-F324 HydrophobicContact CD1-CE1 4.33Å; I306-F324 HydrophobicContact CD1-CE2 4.36Å; I306-F324 HydrophobicContact CD1-CG 3.78Å; I306-F324 HydrophobicContact CG1-CB 3.86Å; I306-F324 HydrophobicContact CG1-CD1 4.4Å; I306-F324 HydrophobicContact CG1-CG 4.04Å; I306-V333 HydrophobicContact CD1-CG2 3.53Å; I306-S456 WeakPolarHBondContact CA-OG 3.4Å
307	K	92.1	Very high	82.2	Confident	39 Å²	39	37.2 Å²	37.2	17%	0.17	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	122.3	175.5	-64.2	-167.4	67.9	168.1	0	110.3	I239 I240 E274 I305 A322 S456	I239-K307 WeakPolarHBondContact O-CA 3.28Å; I240-K307 HydrophobicContact CD1-CD 4.48Å; I240-K307 HydrophobicContact CD1-CG 3.96Å; E274-K307 IonicContact OE1-NZ 2.89Å; E274-K307 IonicContact OE2-NZ 2.96Å; E274-K307 PolarHBondContact OE2-NZ 2.97Å; I305-K307 HydrophobicContact CG2-CG 4.28Å; K307-A322 WeakPolarHBondContact O-CB 3.49Å; K307-S456 PolarHBondContact N-OG 3.35Å
308	A	92.7	Very high	84.5	Confident	9 Å²	9	34.2 Å²	34.2	7%	0.074	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	150.5	172.1	0	0	0	0	0	110.3	I239 T320 A322	I239-A308 HydrophobicContact CB-CB 4.11Å; I239-A308 HydrophobicContact CD1-CB 4.03Å; I239-A308 HydrophobicContact CG1-CB 4.5Å; I239-A308 PolarHBondContact N-O 3.19Å; I239-A308 PolarHBondContact O-N 2.79Å; I239-A308 VanDerWaalsContact O-N 3.11Å; A308-T320 HydrophobicContact CB-CG2 4.25Å; A308-A322 HydrophobicContact CB-CB 3.94Å
309	R	91	Very high	86.7	Confident	119 Å²	119	34.6 Å²	34.6	45%	0.449	17%	0.172	S	C	.	.			trans	-68.1	140.3	178.5	-63	-178.4	-175.5	169.7	4.1	110.3	T320 R506	R309-T320 PolarHBondContact N-OG1 2.79Å; R309-T320 VanDerWaalsContact O-CB 3.27Å; R309-T320 WeakPolarHBondContact O-CB 3.33Å; R309-T320 VanDerWaalsContact O-CG2 3.29Å; R309-T320 WeakPolarHBondContact O-CG2 3.01Å; R309-T320 PolarHBondContact O-OG1 3.03Å; R309-R506 PolarHBondContact NH2-O 3.08Å
310	G	91.8	Very high	88.6	Confident	13 Å²	13	35 Å²	35	13%	0.134	17%	0.174	C	C	.	.			trans	-67.6	159.5	174	0	0	0	0	0	112.5	F236 S237 D238	F236-G310 CarbonylContact O-C 3.37Å; F236-G310 WeakPolarHBondContact O-CA 3.41Å; S237-G310 VanDerWaalsContact O-CA 3.32Å; S237-G310 WeakPolarHBondContact O-CA 3.24Å; D238-G310 PolarHBondContact OD1-N 3.42Å
311	L	93.7	Very high	89.7	Confident	13 Å²	13	40.7 Å²	40.7	7%	0.068	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	103.1	-178.9	-65	179.4	0	0	0	109.3	F214 H235 F236 G318 T320	F214-L311 HydrophobicContact CD1-CD1 3.73Å; F214-L311 HydrophobicContact CE1-CD1 3.89Å; H235-L311 CarbonylContact C-O 3.55Å; H235-L311 WeakPolarHBondContact CA-O 3.49Å; H235-L311 WeakPolarHBondContact CB-O 3.2Å; F236-L311 HydrophobicContact CB-CB 4.27Å; F236-L311 HydrophobicContact CD2-CB 4.03Å; F236-L311 HydrophobicContact CD2-CD1 4.47Å; F236-L311 PolarHBondContact N-O 2.72Å; F236-L311 PolarHBondContact O-N 2.03Å; L311-G318 WeakPolarHBondContact CD1-O 3.17Å; L311-T320 HydrophobicContact CD2-CG2 4.34Å; L311-T320 HydrophobicContact CG-CG2 4.26Å
312	W	86.9	Confident	90.2	Very high	28 Å²	28	40 Å²	40	11%	0.106	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	148.3	-177.6	-68.2	73.9	0	0	0	111.3	H235 N315 I486 K511	H235-W312 HydrophobicContact CB-CB 4.06Å; H235-W312 HydrophobicContact CB-CD2 3.37Å; H235-W312 HydrophobicContact CB-CE3 3.44Å; H235-W312 VanDerWaalsContact CB-CE3 3.44Å; H235-W312 HydrophobicContact CB-CG 3.66Å; H235-W312 HydrophobicContact CB-CH2 4.48Å; H235-W312 HydrophobicContact CB-CZ2 4.42Å; H235-W312 HydrophobicContact CB-CZ3 4.01Å; H235-W312 AromaticContact CD2-CD2 3.78Å; H235-W312 AromaticContact CD2-CE2 3.36Å; H235-W312 AromaticContact CD2-CE3 3.94Å; H235-W312 AromaticContact CD2-CH2 3.37Å; H235-W312 WeakPolarHBondContact CD2-CH2 3.08Å; H235-W312 AromaticContact CD2-CZ2 3.16Å; H235-W312 WeakPolarHBondContact CD2-CZ2 3.28Å; H235-W312 AromaticContact CD2-CZ3 3.74Å; H235-W312 AromaticContact CD2-NE1 3.99Å; H235-W312 AromaticContact CE1-CH2 3.25Å; H235-W312 WeakPolarHBondContact CE1-CH2 3.47Å; H235-W312 AromaticContact CE1-CZ2 3.88Å; H235-W312 AromaticContact CE1-CZ3 3.45Å; H235-W312 VanDerWaalsContact CE1-CZ3 3.45Å; H235-W312 WeakPolarHBondContact CE1-CZ3 3.37Å; H235-W312 AromaticContact CG-CD2 3.55Å; H235-W312 AromaticContact CG-CE2 3.67Å; H235-W312 AromaticContact CG-CE3 3.42Å; H235-W312 VanDerWaalsContact CG-CE3 3.42Å; H235-W312 AromaticContact CG-CH2 3.6Å; H235-W312 AromaticContact CG-CZ2 3.71Å; H235-W312 AromaticContact CG-CZ3 3.43Å; H235-W312 VanDerWaalsContact CG-CZ3 3.43Å; H235-W312 AromaticContact ND1-CE3 3.64Å; H235-W312 AromaticContact ND1-CH2 3.53Å; H235-W312 AromaticContact ND1-CZ3 3.24Å; H235-W312 WeakPolarHBondContact ND1-CZ3 3.32Å; H235-W312 AromaticContact NE2-CH2 3.15Å; H235-W312 WeakPolarHBondContact NE2-CH2 3.2Å; H235-W312 AromaticContact NE2-CZ2 3.3Å; H235-W312 VanDerWaalsContact NE2-CZ2 3.3Å; H235-W312 WeakPolarHBondContact NE2-CZ2 3.5Å; H235-W312 AromaticContact NE2-CZ3 3.76Å; W312-N315 CarbonylContact O-C 3.54Å; W312-N315 WeakPolarHBondContact O-CA 3.44Å; W312-N315 PolarHBondContact O-N 3.05Å; W312-I486 HydrophobicContact CH2-CG2 4.05Å; W312-I486 HydrophobicContact CZ3-CG2 3.78Å; W312-K511 HydrophobicContact CD2-CB 4.42Å; W312-K511 HydrophobicContact CD2-CD 3.9Å; W312-K511 HydrophobicContact CE3-CD 4.15Å; W312-K511 HydrophobicContact CG-CD 4.3Å; W312-K511 HydrophobicContact CH2-CB 3.81Å; W312-K511 HydrophobicContact CZ2-CB 3.39Å; W312-K511 HydrophobicContact CZ2-CD 4.36Å; W312-K511 HydrophobicContact CZ3-CB 4.48Å; W312-K511 HydrophobicContact CZ3-CD 4.49Å
313	Y	82.5	Confident	90.5	Very high	77 Å²	77	41.4 Å²	41.4	30%	0.302	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.5	134.4	168.9	-178.7	-84.9	0	0	0	111.3	E231 T234 V316 E599	E231-Y313 HydrophobicContact CB-CD2 3.91Å; E231-Y313 HydrophobicContact CB-CE2 3.83Å; E231-Y313 HydrophobicContact CB-CG 4.34Å; E231-Y313 WeakPolarHBondContact O-CB 3.41Å; T234-Y313 WeakPolarHBondContact O-CB 3.41Å; T234-Y313 PolarHBondContact O-N 3.3Å; Y313-V316 VanDerWaalsContact N-CG2 3.33Å; Y313-E599 WeakPolarHBondContact CE1-OE2 3.24Å
314	P	81.5	Confident	91	Very high	48 Å²	48	39.1 Å²	39.1	31%	0.312	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	cis	-85.2	-3.1	7.1	36.5	-39.5	0	0	0	114.2	V316 E599	P314-V316 VanDerWaalsContact C-N 3.3Å; P314-V316 PolarHBondContact O-N 2.78Å; P314-E599 VanDerWaalsContact CB-OE1 3.29Å; P314-E599 WeakPolarHBondContact CB-OE1 3.29Å; P314-E599 VanDerWaalsContact CD-CD 3.5Å; P314-E599 VanDerWaalsContact CD-CG 3.41Å; P314-E599 HydrophobicContact CG-CG 3.68Å; P314-E599 WeakPolarHBondContact CG-OE1 3.36Å
315	N	85	Confident	91.1	Very high	110 Å²	110	40.9 Å²	40.9	59%	0.588	20%	0.196	S	C	*	.			trans	-94.1	34.8	-174.6	-56.5	-60.6	0	0	0	112.3	W312 Q317 G318	W312-N315 CarbonylContact O-C 3.54Å; W312-N315 WeakPolarHBondContact O-CA 3.44Å; W312-N315 PolarHBondContact O-N 3.05Å; N315-Q317 PolarHBondContact O-N 2.77Å; N315-G318 PolarHBondContact O-N 2.79Å
316	V	87	Confident	91	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-38	176.7	-177.5	0	0	0	0	109.8	G216 W218 T234 F236 Y313 P314 G318	G216-V316 WeakPolarHBondContact CA-O 3.16Å; W218-V316 HydrophobicContact CB-CG1 4.3Å; W218-V316 HydrophobicContact CE3-CG1 4.24Å; W218-V316 WeakPolarHBondContact O-CG1 3.28Å; T234-V316 HydrophobicContact CG2-CG2 4.18Å; T234-V316 WeakPolarHBondContact O-CG2 3.46Å; F236-V316 HydrophobicContact CD2-CG1 3.89Å; F236-V316 HydrophobicContact CE2-CG1 3.6Å; Y313-V316 VanDerWaalsContact N-CG2 3.33Å; P314-V316 VanDerWaalsContact C-N 3.3Å; P314-V316 PolarHBondContact O-N 2.78Å; V316-G318 PolarHBondContact O-N 2.78Å
317	Q	86.8	Confident	90.8	Very high	93 Å²	93	41 Å²	41	44%	0.435	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	21.4	174.4	-48.5	93.7	-52	0	0	113.7	G216 S219 N315	G216-Q317 WeakPolarHBondContact O-CA 3.28Å; G216-Q317 WeakPolarHBondContact O-CB 3.08Å; S219-Q317 VanDerWaalsContact CB-NE2 3.32Å; N315-Q317 PolarHBondContact O-N 2.77Å
318	G	90.7	Very high	90.6	Very high	19 Å²	19	41.9 Å²	41.9	20%	0.196	20%	0.199	C	C	.	.			trans	-78	-177.1	176.3	0	0	0	0	0	112.4	G216 L311 N315 V316	G216-G318 PolarHBondContact N-O 3.46Å; L311-G318 WeakPolarHBondContact CD1-O 3.17Å; N315-G318 PolarHBondContact O-N 2.79Å; V316-G318 PolarHBondContact O-N 2.78Å
319	I	94.2	Very high	90.3	Very high	81 Å²	81	43.1 Å²	43.1	42%	0.415	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	133.2	174.9	-60.9	172.3	0	0	0	109	I213 F214 D215 R321	I213-I319 HydrophobicContact CG2-CG2 3.39Å; F214-I319 CarbonylContact O-C 3.54Å; F214-I319 WeakPolarHBondContact O-CA 3.24Å; D215-I319 HydrophobicContact CB-CG1 4.21Å; I319-R321 HydrophobicContact CG2-CG 4.34Å
320	T	94.3	Very high	90.2	Very high	15 Å²	15	37.6 Å²	37.6	9%	0.092	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	152	172.1	-169.3	0	0	0	0	109.7	F214 I239 A308 R309 L311	F214-T320 HydrophobicContact CB-CG2 3.72Å; F214-T320 HydrophobicContact CD1-CG2 4.12Å; F214-T320 HydrophobicContact CG-CG2 4.25Å; F214-T320 PolarHBondContact N-O 3.43Å; F214-T320 PolarHBondContact O-N 3.4Å; I239-T320 HydrophobicContact CD1-CG2 3.49Å; I239-T320 VanDerWaalsContact CD1-CG2 3.49Å; A308-T320 HydrophobicContact CB-CG2 4.25Å; R309-T320 PolarHBondContact N-OG1 2.79Å; R309-T320 VanDerWaalsContact O-CB 3.27Å; R309-T320 WeakPolarHBondContact O-CB 3.33Å; R309-T320 VanDerWaalsContact O-CG2 3.29Å; R309-T320 WeakPolarHBondContact O-CG2 3.01Å; R309-T320 PolarHBondContact O-OG1 3.03Å; L311-T320 HydrophobicContact CD2-CG2 4.34Å; L311-T320 HydrophobicContact CG-CG2 4.26Å
321	R	94.9	Very high	90.1	Very high	125 Å²	125	37.2 Å²	37.2	47%	0.472	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	152.4	-173.1	-59.7	-176.3	176.2	78.1	1.5	110.9	E211 V212 I213 I319	E211-R321 VanDerWaalsContact OE1-CD 3.31Å; E211-R321 WeakPolarHBondContact OE1-CD 3.27Å; E211-R321 IonicContact OE1-NE 2.72Å; V212-R321 VanDerWaalsContact O-CA 3.25Å; V212-R321 WeakPolarHBondContact O-CA 3.02Å; I213-R321 HydrophobicContact CG1-CG 4.21Å; I213-R321 HydrophobicContact CG2-CG 4.28Å; I319-R321 HydrophobicContact CG2-CG 4.34Å
322	A	94.8	Very high	90	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.008	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	150.9	169	0	0	0	0	0	110.8	V212 I306 K307 A308	V212-A322 HydrophobicContact CG1-CB 3.88Å; V212-A322 WeakPolarHBondContact CG1-O 3.36Å; V212-A322 PolarHBondContact N-O 2.7Å; V212-A322 PolarHBondContact O-N 2.86Å; I306-A322 HydrophobicContact CG2-CB 4.05Å; K307-A322 WeakPolarHBondContact O-CB 3.49Å; A308-A322 HydrophobicContact CB-CB 3.94Å
323	M	94.2	Very high	90.3	Very high	31 Å²	31	35.5 Å²	35.5	15%	0.153	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	144.1	174	-54.7	-145.3	85.3	0	0	111.7	K209 Y210 E211 D429 S456 E460	K209-M323 HydrophobicContact CD-CE 4.3Å; K209-M323 WeakPolarHBondContact CE-SD 3.35Å; K209-M323 HydrophobicContact CG-CE 4.26Å; K209-M323 VanDerWaalsContact NZ-CE 3.3Å; K209-M323 PolarHBondContact NZ-SD 3.15Å; Y210-M323 WeakPolarHBondContact O-CA 3.43Å; E211-M323 HydrophobicContact CB-CE 4.17Å; M323-D429 HydrophobicContact CE-CB 3.93Å; M323-S456 WeakPolarHBondContact O-CA 3.41Å; M323-S456 VanDerWaalsContact O-CB 3.24Å; M323-S456 WeakPolarHBondContact O-CB 3.37Å; M323-S456 PolarHBondContact O-OG 3.47Å; M323-E460 HydrophobicContact CG-CG 4.28Å
324	F	95.9	Very high	90.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	164.8	174	70.2	-79	0	0	0	112.8	K209 Y210 V212 T304 I306 V326 V333 L354 F426	K209-F324 WeakPolarHBondContact CA-O 3.44Å; Y210-F324 VanDerWaalsContact CB-CE1 3.43Å; Y210-F324 VanDerWaalsContact CB-CZ 3.46Å; Y210-F324 HydrophobicContact CG-CE1 4.48Å; Y210-F324 HydrophobicContact CG-CZ 4.09Å; Y210-F324 PolarHBondContact N-O 2.99Å; Y210-F324 PolarHBondContact O-N 2.51Å; V212-F324 HydrophobicContact CB-CD1 4.43Å; V212-F324 HydrophobicContact CB-CE1 3.96Å; V212-F324 HydrophobicContact CG1-CD1 4.23Å; V212-F324 HydrophobicContact CG1-CE1 4.24Å; T304-F324 HydrophobicContact CG2-CB 3.69Å; I306-F324 HydrophobicContact CD1-CB 4.18Å; I306-F324 HydrophobicContact CD1-CD1 3.95Å; I306-F324 HydrophobicContact CD1-CD2 4.01Å; I306-F324 HydrophobicContact CD1-CE1 4.33Å; I306-F324 HydrophobicContact CD1-CE2 4.36Å; I306-F324 HydrophobicContact CD1-CG 3.78Å; I306-F324 HydrophobicContact CG1-CB 3.86Å; I306-F324 HydrophobicContact CG1-CD1 4.4Å; I306-F324 HydrophobicContact CG1-CG 4.04Å; F324-V326 HydrophobicContact CD2-CG1 4Å; F324-V326 HydrophobicContact CE2-CG1 3.65Å; F324-V333 HydrophobicContact CE2-CB 4.33Å; F324-V333 HydrophobicContact CE2-CG2 4.04Å; F324-V333 HydrophobicContact CZ-CG2 4.08Å; F324-L354 HydrophobicContact CE2-CD1 3.76Å; F324-L354 HydrophobicContact CZ-CD1 3.8Å; F324-F426 AromaticContact CE1-CD1 3.89Å; F324-F426 HydrophobicContact CE1-CD1 3.89Å; F324-F426 HydrophobicContact CE1-CE1 4.13Å; F324-F426 AromaticContact CZ-CD1 3.72Å; F324-F426 HydrophobicContact CZ-CD1 3.72Å; F324-F426 AromaticContact CZ-CE1 3.94Å; F324-F426 HydrophobicContact CZ-CE1 3.94Å
325	R	93.9	Very high	91.6	Very high	36 Å²	36	29.6 Å²	29.6	14%	0.136	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	146.3	177.1	-71.4	-175.3	175.1	123.9	4.4	111.6	A208 K209 S243 R303 T304 E454	A208-R325 CarbonylContact O-C 3.55Å; A208-R325 WeakPolarHBondContact O-CA 3.5Å; K209-R325 HydrophobicContact CB-CG 4.47Å; S243-R325 VanDerWaalsContact CB-O 3.23Å; S243-R325 WeakPolarHBondContact CB-O 3.48Å; S243-R325 PolarHBondContact OG-O 3.3Å; R303-R325 HydrophobicContact CG-CB 4.45Å; T304-R325 PolarHBondContact OG1-N 3.03Å; R325-E454 IonicContact NH1-OE1 3.21Å; R325-E454 IonicContact NH1-OE2 2.61Å; R325-E454 PolarHBondContact NH1-OE2 3.13Å
326	V	92.7	Very high	92.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	150	170.6	-63.7	0	0	0	0	109.3	E207 A208 Y210 F324 H330 L354 W361	E207-V326 CarbonylContact C-O 3.5Å; E207-V326 WeakPolarHBondContact CA-O 3.45Å; A208-V326 HydrophobicContact CB-CG2 3.81Å; A208-V326 PolarHBondContact N-O 2.84Å; A208-V326 PolarHBondContact O-N 2.97Å; Y210-V326 HydrophobicContact CD2-CG2 3.77Å; Y210-V326 HydrophobicContact CE2-CG2 3.63Å; F324-V326 HydrophobicContact CD2-CG1 4Å; F324-V326 HydrophobicContact CE2-CG1 3.65Å; V326-H330 WeakPolarHBondContact CA-O 3.34Å; V326-H330 WeakPolarHBondContact CB-O 3.28Å; V326-L354 HydrophobicContact CG1-CD1 3.9Å; V326-W361 HydrophobicContact CB-CH2 4.02Å; V326-W361 HydrophobicContact CB-CZ3 3.96Å; V326-W361 HydrophobicContact CG2-CD2 4.24Å; V326-W361 HydrophobicContact CG2-CE3 3.68Å; V326-W361 HydrophobicContact CG2-CH2 3.7Å; V326-W361 HydrophobicContact CG2-CZ2 4.23Å; V326-W361 HydrophobicContact CG2-CZ3 3.39Å
327	D	89.9	Confident	92.6	Very high	5 Å²	5	24.3 Å²	24.3	3%	0.027	11%	0.112	C	C	.	.			trans	-138	179.1	176	64.7	46.3	0	0	0	109.4	E207 R303 Y329 H330 H331 W361 Y442	E207-D327 HydrophobicContact CG-CB 3.6Å; R303-D327 WeakPolarHBondContact CD-OD2 3.36Å; R303-D327 IonicContact NE-OD2 3.13Å; D327-Y329 PolarHBondContact O-N 2.81Å; D327-Y329 WeakPolarHBondContact OD1-CA 3.31Å; D327-Y329 WeakPolarHBondContact OD1-CB 3.5Å; D327-Y329 PolarHBondContact OD1-N 2.86Å; D327-H330 PolarHBondContact N-O 2.66Å; D327-H330 CarbonylContact O-C 3.43Å; D327-H330 VanDerWaalsContact O-C 3.26Å; D327-H330 PolarHBondContact O-N 2.92Å; D327-H330 IonicContact OD1-CG 3.33Å; D327-H330 PolarHBondContact OD1-N 3.31Å; D327-H330 IonicContact OD1-ND1 3.1Å; D327-H330 PolarHBondContact OD1-ND1 2.83Å; D327-H330 VanDerWaalsContact OD1-ND1 3.1Å; D327-H330 IonicContact OD2-CE1 2.69Å; D327-H330 IonicContact OD2-CG 3.81Å; D327-H330 IonicContact OD2-ND1 3.86Å; D327-H330 PolarHBondContact OD2-ND1 3.13Å; D327-H331 PolarHBondContact O-N 2.64Å; D327-W361 WeakPolarHBondContact O-CH2 3.36Å; D327-Y442 HydrophobicContact CB-CE1 4.18Å
328	R	88.7	Confident	93.1	Very high	56 Å²	56	19.9 Å²	19.9	21%	0.211	9%	0.091	C	C	.	.	S	Bend	trans	-50.2	-42.3	178.7	-166.8	177.5	170.9	-166.5	-6.7	113.4	E201 C202 S204 H331 K437 Y442	E201-R328 IonicContact OE1-CZ 3.74Å; E201-R328 IonicContact OE1-NE 3.31Å; E201-R328 IonicContact OE1-NH2 3.99Å; E201-R328 PolarHBondContact OE1-NH2 2.9Å; C202-R328 HydrophobicContact CB-CG 4.45Å; C202-R328 WeakPolarHBondContact CB-O 3.39Å; C202-R328 WeakPolarHBondContact O-CG 3.35Å; C202-R328 PolarHBondContact O-NE 3.28Å; S204-R328 WeakPolarHBondContact O-CB 3.4Å; S204-R328 VanDerWaalsContact O-CG 3.27Å; S204-R328 WeakPolarHBondContact O-CG 3.24Å; R328-H331 PolarHBondContact O-ND1 3.32Å; R328-K437 PolarHBondContact NH1-O 2.85Å; R328-Y442 HydrophobicContact CB-CE2 4.04Å
329	Y	85.4	Confident	93.3	Very high	35 Å²	35	19 Å²	19	14%	0.137	8%	0.082	C	C	.	.	S	Bend	trans	-81.7	-38.4	-177.4	-171.4	-104.3	0	0	0	111.8	S245 A299 E301 D327 H331 L443	S245-Y329 WeakPolarHBondContact CA-O 3.43Å; S245-Y329 VanDerWaalsContact CB-CE1 3.5Å; A299-Y329 HydrophobicContact CB-CE1 4.42Å; E301-Y329 PolarHBondContact OE1-OH 3.09Å; E301-Y329 WeakPolarHBondContact OE2-CE1 3.26Å; E301-Y329 PolarHBondContact OE2-OH 3.37Å; D327-Y329 PolarHBondContact O-N 2.81Å; D327-Y329 WeakPolarHBondContact OD1-CA 3.31Å; D327-Y329 WeakPolarHBondContact OD1-CB 3.5Å; D327-Y329 PolarHBondContact OD1-N 2.86Å; Y329-H331 PolarHBondContact O-ND1 3.07Å; Y329-L443 HydrophobicContact CD1-CD2 4.41Å; Y329-L443 HydrophobicContact CD2-CD2 4.41Å; Y329-L443 HydrophobicContact CE1-CD2 3.97Å; Y329-L443 HydrophobicContact CE2-CD2 3.96Å
330	H	88.9	Confident	93.2	Very high	3 Å²	3	15.1 Å²	15.1	1%	0.014	6%	0.062	C	C	.	.			trans	-108	60.9	-177.5	-49.8	100	0	0	0	112	H244 S300 E301 R303 V326 D327	H244-H330 CarbonylContact O-C 3.56Å; H244-H330 VanDerWaalsContact O-CA 3.31Å; H244-H330 WeakPolarHBondContact O-CA 3.36Å; S300-H330 PolarHBondContact O-NE2 3.33Å; E301-H330 PolarHBondContact O-CD2 3.03Å; R303-H330 HydrophobicContact CB-CB 3.48Å; R303-H330 VanDerWaalsContact CB-CB 3.48Å; R303-H330 VanDerWaalsContact CB-CG 3.5Å; R303-H330 HydrophobicContact CG-CB 4.3Å; V326-H330 WeakPolarHBondContact CA-O 3.34Å; V326-H330 WeakPolarHBondContact CB-O 3.28Å; D327-H330 PolarHBondContact N-O 2.66Å; D327-H330 CarbonylContact O-C 3.43Å; D327-H330 VanDerWaalsContact O-C 3.26Å; D327-H330 PolarHBondContact O-N 2.92Å; D327-H330 IonicContact OD1-CG 3.33Å; D327-H330 PolarHBondContact OD1-N 3.31Å; D327-H330 IonicContact OD1-ND1 3.1Å; D327-H330 PolarHBondContact OD1-ND1 2.83Å; D327-H330 VanDerWaalsContact OD1-ND1 3.1Å; D327-H330 IonicContact OD2-CE1 2.69Å; D327-H330 IonicContact OD2-CG 3.81Å; D327-H330 IonicContact OD2-ND1 3.86Å; D327-H330 PolarHBondContact OD2-ND1 3.13Å
331	H	90.1	Very high	92.9	Very high	5 Å²	5	14.4 Å²	14.4	2%	0.023	6%	0.058	C	C	.	.			trans	-93.9	-4.6	-174.8	52.2	-85.2	0	0	0	113.7	C202 D327 R328 Y329 N353 L354 C355 W361	C202-H331 HydrophobicContact CB-CB 3.83Å; C202-H331 VanDerWaalsContact CB-CG 3.49Å; D327-H331 PolarHBondContact O-N 2.64Å; R328-H331 PolarHBondContact O-ND1 3.32Å; Y329-H331 PolarHBondContact O-ND1 3.07Å; H331-N353 PolarHBondContact CD2-OD1 3.19Å; H331-N353 VanDerWaalsContact CD2-OD1 3.28Å; H331-L354 PolarHBondContact O-N 2.84Å; H331-C355 HydrophobicContact CB-CB 3.92Å; H331-W361 HydrophobicContact CB-CH2 3.89Å; H331-W361 HydrophobicContact CB-CZ3 4.01Å
332	L	91.3	Very high	92.8	Very high	4 Å²	4	8.5 Å²	8.5	2%	0.021	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	150.5	178.3	-54.9	-178.3	0	0	0	111.2	S243 H244 R246 F352 N353	S243-L332 CarbonylContact C-O 3.52Å; S243-L332 VanDerWaalsContact CA-O 3.26Å; S243-L332 WeakPolarHBondContact CA-O 3.37Å; H244-L332 PolarHBondContact N-O 2.77Å; H244-L332 WeakPolarHBondContact O-CB 3.37Å; H244-L332 PolarHBondContact O-N 2.82Å; H244-L332 VanDerWaalsContact O-N 3.15Å; R246-L332 HydrophobicContact CB-CD1 4.16Å; L332-F352 CarbonylContact C-O 3.56Å; L332-F352 VanDerWaalsContact CA-O 3.3Å; L332-F352 WeakPolarHBondContact CA-O 3.31Å; L332-N353 HydrophobicContact CD2-CB 3.62Å
333	V	94.1	Very high	92.7	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.006	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	134.7	173.9	65.3	0	0	0	0	111.7	A242 I306 F324 S351 F352 L354 F426	A242-V333 WeakPolarHBondContact O-CA 3.32Å; I306-V333 HydrophobicContact CD1-CG2 3.53Å; F324-V333 HydrophobicContact CE2-CB 4.33Å; F324-V333 HydrophobicContact CE2-CG2 4.04Å; F324-V333 HydrophobicContact CZ-CG2 4.08Å; V333-S351 PolarHBondContact O-N 3.42Å; V333-F352 HydrophobicContact CG1-CB 4.06Å; V333-F352 HydrophobicContact CG1-CD1 4.18Å; V333-F352 PolarHBondContact N-O 3.05Å; V333-F352 PolarHBondContact O-N 2.63Å; V333-L354 HydrophobicContact CB-CD1 4.17Å; V333-L354 HydrophobicContact CG1-CD1 3.87Å; V333-L354 HydrophobicContact CG1-CG 4.16Å; V333-F426 HydrophobicContact CB-CE1 4.49Å; V333-F426 HydrophobicContact CG1-CE1 3.85Å; V333-F426 HydrophobicContact CG1-CE2 4.48Å; V333-F426 HydrophobicContact CG1-CZ 3.79Å; V333-F426 HydrophobicContact CG2-CE1 3.89Å; V333-F426 HydrophobicContact CG2-CZ 4.27Å
334	S	93.9	Very high	92.7	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	146.6	171.1	-61.2	0	0	0	0	110.6	G241 A242 H244 L349 S351	G241-S334 CarbonylContact C-O 3.58Å; G241-S334 WeakPolarHBondContact CA-O 3.45Å; A242-S334 PolarHBondContact N-O 2.89Å; A242-S334 PolarHBondContact O-N 2.9Å; H244-S334 WeakPolarHBondContact NE2-CB 3.34Å; H244-S334 PolarHBondContact NE2-OG 2.83Å; S334-L349 CarbonylContact C-O 3.19Å; S334-L349 WeakPolarHBondContact CA-O 3.31Å; S334-S351 PolarHBondContact OG-N 2.99Å
335	L	96.3	Very high	92.7	Very high	1 Å²	1	7.4 Å²	7.4	1%	0.005	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	158.7	171.9	60.1	90.9	0	0	0	112.1	V212 I239 I240 W251 G348 L349 L424 F426	V212-L335 HydrophobicContact CG2-CD2 4.05Å; I239-L335 HydrophobicContact CG2-CB 4.21Å; I239-L335 HydrophobicContact CG2-CD1 4.18Å; I240-L335 CarbonylContact O-C 3.52Å; I240-L335 VanDerWaalsContact O-CA 3.24Å; I240-L335 WeakPolarHBondContact O-CA 3.35Å; W251-L335 PolarHBondContact NE1-O 2.96Å; L335-G348 CarbonylContact O-C 3.57Å; L335-G348 WeakPolarHBondContact O-CA 3.47Å; L335-L349 PolarHBondContact N-O 3.09Å; L335-L349 PolarHBondContact O-N 3.1Å; L335-L349 VanDerWaalsContact O-O 3.07Å; L335-L424 HydrophobicContact CD1-CD1 4.13Å; L335-L424 HydrophobicContact CD1-CD2 3.99Å; L335-L424 HydrophobicContact CD2-CD1 3.96Å; L335-L424 HydrophobicContact CD2-CD2 3.96Å; L335-L424 HydrophobicContact CG-CD2 4.25Å; L335-F426 HydrophobicContact CD2-CE1 4.33Å; L335-F426 HydrophobicContact CD2-CZ 4.06Å
336	A	96.9	Very high	92.8	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	2%	0.024	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	151.5	179.3	0	0	0	0	0	111.3	I240 L264 V346 V347	I240-A336 PolarHBondContact N-O 2.93Å; I240-A336 VanDerWaalsContact N-O 3.12Å; I240-A336 PolarHBondContact O-N 2.95Å; L264-A336 HydrophobicContact CD2-CB 3.67Å; A336-V346 HydrophobicContact CB-CG1 3.83Å; A336-V347 CarbonylContact C-O 3.58Å; A336-V347 WeakPolarHBondContact CA-O 3.2Å
337	S	97.5	Very high	92.9	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	2%	0.024	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	132.2	172.8	176.3	0	0	0	0	109.8	S237 V346 V347	S237-S337 PolarHBondContact N-OG 3.23Å; S237-S337 PolarHBondContact O-OG 2.93Å; S337-V346 VanDerWaalsContact O-CG1 3.31Å; S337-V346 WeakPolarHBondContact O-CG1 3.42Å; S337-V347 PolarHBondContact N-O 2.84Å; S337-V347 WeakPolarHBondContact O-CG2 3.2Å; S337-V347 PolarHBondContact O-N 2.88Å
338	M	96.5	Very high	93.1	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	141.3	179.8	174.3	-157.9	176.7	0	0	110.8	F236 S237 L264 A265 E266 G268 F513	F236-M338 WeakPolarHBondContact CA-O 3.28Å; S237-M338 PolarHBondContact N-O 3.25Å; S237-M338 PolarHBondContact OG-N 3.38Å; L264-M338 WeakPolarHBondContact O-CB 3.41Å; A265-M338 WeakPolarHBondContact O-CE 3.48Å; A265-M338 VanDerWaalsContact O-CG 3.32Å; A265-M338 WeakPolarHBondContact O-CG 3.21Å; A265-M338 VanDerWaalsContact O-SD 3.4Å; E266-M338 WeakPolarHBondContact O-CE 3.31Å; G268-M338 PolarHBondContact N-SD 3.46Å; M338-F513 HydrophobicContact CE-CD1 4.35Å
339	L	94.9	Very high	93.2	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.018	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	112.6	162.7	-61.6	-179.1	0	0	0	108.8	W218 F236 P341 S342 W345 V347 P371 F421	W218-L339 HydrophobicContact CE3-CD2 4.2Å; W218-L339 HydrophobicContact CZ3-CB 4.35Å; W218-L339 HydrophobicContact CZ3-CD2 4.36Å; F236-L339 HydrophobicContact CD1-CD2 3.67Å; F236-L339 HydrophobicContact CE1-CD2 3.21Å; F236-L339 HydrophobicContact CZ-CD2 4.03Å; L339-P341 CarbonylContact O-C 3.48Å; L339-S342 WeakPolarHBondContact O-CB 3.48Å; L339-S342 PolarHBondContact O-N 3.45Å; L339-S342 PolarHBondContact O-OG 3.07Å; L339-W345 HydrophobicContact CB-CB 4.42Å; L339-W345 HydrophobicContact CD1-CB 4.26Å; L339-W345 PolarHBondContact N-O 2.77Å; L339-V347 HydrophobicContact CD1-CG1 4.17Å; L339-V347 HydrophobicContact CD2-CG1 3.92Å; L339-V347 HydrophobicContact CD2-CG2 4.26Å; L339-V347 HydrophobicContact CG-CG1 4.12Å; L339-P371 HydrophobicContact CD1-CB 3.77Å; L339-F421 HydrophobicContact CD1-CD1 3.78Å; L339-F421 HydrophobicContact CD1-CE1 3.95Å; L339-F421 HydrophobicContact CD1-CG 4.35Å; L339-F421 HydrophobicContact CD2-CD1 3.78Å; L339-F421 HydrophobicContact CD2-CG 4.46Å; L339-F421 HydrophobicContact CG-CD1 4.47Å
340	G	91.3	Very high	93.2	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	1%	0.014	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	139.7	175.4	0	0	0	0	0	111.5	W218 L233 T234 H235	W218-G340 WeakPolarHBondContact CH2-O 3.49Å; W218-G340 VanDerWaalsContact CZ3-O 3.29Å; W218-G340 WeakPolarHBondContact CZ3-O 3.04Å; L233-G340 CarbonylContact O-C 3.49Å; T234-G340 CarbonylContact C-O 3.44Å; T234-G340 WeakPolarHBondContact CA-O 3.49Å; H235-G340 PolarHBondContact N-O 3.38Å; H235-G340 PolarHBondContact O-N 3.33Å
341	P	89.5	Confident	93.1	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	2%	0.017	C	C	.	.	S	Bend	cis	-73.9	137.2	-11.6	32.4	-31.7	0	0	0	110.3	P228 L233 L339 Y382 M383 K484 F513	P228-P341 HydrophobicContact CB-CG 3.98Å; P228-P341 HydrophobicContact CG-CG 3.87Å; L233-P341 HydrophobicContact CB-CG 4.34Å; L233-P341 WeakPolarHBondContact O-CD 3.46Å; L339-P341 CarbonylContact O-C 3.48Å; P341-Y382 CarbonylContact C-O 3.57Å; P341-Y382 WeakPolarHBondContact O-CA 3.5Å; P341-Y382 VanDerWaalsContact O-CB 3.32Å; P341-Y382 WeakPolarHBondContact O-CB 3.29Å; P341-Y382 WeakPolarHBondContact O-CD1 3.06Å; P341-M383 HydrophobicContact CG-CG 4.19Å; P341-K484 HydrophobicContact CB-CD 4.49Å; P341-F513 HydrophobicContact CB-CE2 3.98Å; P341-F513 HydrophobicContact CB-CZ 3.65Å
342	S	92.9	Very high	92.9	Very high	1 Å²	1	3.1 Å²	3.1	1%	0.007	2%	0.019	C	C	.	.			trans	-146.5	171.3	165.7	69.4	0	0	0	0	109.6	L339 W345 Y382 K484	L339-S342 WeakPolarHBondContact O-CB 3.48Å; L339-S342 PolarHBondContact O-N 3.45Å; L339-S342 PolarHBondContact O-OG 3.07Å; S342-W345 PolarHBondContact OG-N 3.13Å; S342-W345 PolarHBondContact OG-O 2.72Å; S342-Y382 WeakPolarHBondContact CA-O 3.39Å; S342-Y382 PolarHBondContact N-O 2.9Å; S342-K484 PolarHBondContact O-NZ 3.44Å; S342-K484 VanDerWaalsContact O-NZ 3.12Å
343	P	91.8	Very high	92.7	Very high	5 Å²	5	4.3 Å²	4.3	3%	0.032	3%	0.026	C	C	.	.	S	Bend	trans	-67.7	-55.2	167.4	-16.3	31.6	0	0	0	110.7	W345 D377 G379 T381	P343-W345 HydrophobicContact CG-CZ2 4.05Å; P343-D377 HydrophobicContact CB-CB 3.98Å; P343-D377 WeakPolarHBondContact CB-OD1 3.39Å; P343-G379 VanDerWaalsContact CG-C 3.44Å; P343-G379 WeakPolarHBondContact CG-O 3.43Å; P343-T381 WeakPolarHBondContact CD-O 3.44Å; P343-T381 WeakPolarHBondContact CG-O 3.48Å
344	D	95.1	Very high	92.6	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	3%	0.025	C	C	.	.	S	Bend	trans	-162.4	30.4	-177.3	66.9	-14.4	0	0	0	113.2	A265 A374 G375 V376 D377	A265-D344 HydrophobicContact CB-CB 4.13Å; D344-A374 HydrophobicContact CB-CB 4.27Å; D344-A374 VanDerWaalsContact O-CB 3.31Å; D344-A374 WeakPolarHBondContact O-CB 3.24Å; D344-A374 PolarHBondContact O-N 2.98Å; D344-G375 PolarHBondContact OD2-N 2.98Å; D344-V376 HydrophobicContact CB-CG2 3.51Å; D344-V376 PolarHBondContact OD2-N 3.42Å; D344-D377 HydrophobicContact CB-CB 3.98Å; D344-D377 PolarHBondContact OD2-N 3.44Å
345	W	95.5	Very high	92.4	Very high	4 Å²	4	5 Å²	5	2%	0.015	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	132.6	-174	-54.6	-22	0	0	0	111.6	L339 S342 P343 F372 I380 Y382 I398 P409 F410	L339-W345 HydrophobicContact CB-CB 4.42Å; L339-W345 HydrophobicContact CD1-CB 4.26Å; L339-W345 PolarHBondContact N-O 2.77Å; S342-W345 PolarHBondContact OG-N 3.13Å; S342-W345 PolarHBondContact OG-O 2.72Å; P343-W345 HydrophobicContact CG-CZ2 4.05Å; W345-F372 WeakPolarHBondContact CA-O 3.43Å; W345-I380 WeakPolarHBondContact CH2-O 3.36Å; W345-Y382 AromaticContact CE3-CD1 3.75Å; W345-Y382 HydrophobicContact CE3-CD1 3.75Å; W345-Y382 AromaticContact CE3-CE1 3.77Å; W345-Y382 HydrophobicContact CE3-CE1 3.77Å; W345-Y382 HydrophobicContact CH2-CD1 4.49Å; W345-Y382 AromaticContact CZ3-CD1 3.34Å; W345-Y382 HydrophobicContact CZ3-CD1 3.34Å; W345-Y382 AromaticContact CZ3-CE1 3.53Å; W345-Y382 HydrophobicContact CZ3-CE1 3.53Å; W345-Y382 AromaticContact CZ3-CG 3.88Å; W345-Y382 HydrophobicContact CZ3-CG 3.88Å; W345-I398 HydrophobicContact CB-CD1 4.26Å; W345-I398 VanDerWaalsContact CD1-CD1 3.49Å; W345-I398 HydrophobicContact CD2-CD1 4.13Å; W345-I398 HydrophobicContact CG-CD1 3.69Å; W345-P409 HydrophobicContact CH2-CG 3.93Å; W345-P409 HydrophobicContact CZ3-CG 4.1Å; W345-F410 AromaticContact CD2-CE2 3.78Å; W345-F410 HydrophobicContact CD2-CE2 3.78Å; W345-F410 HydrophobicContact CD2-CZ 4.04Å; W345-F410 AromaticContact CE2-CE2 3.94Å; W345-F410 AromaticContact CE3-CE2 3.47Å; W345-F410 HydrophobicContact CE3-CE2 3.47Å; W345-F410 VanDerWaalsContact CE3-CE2 3.47Å; W345-F410 AromaticContact CE3-CZ 3.45Å; W345-F410 HydrophobicContact CE3-CZ 3.45Å; W345-F410 VanDerWaalsContact CE3-CZ 3.45Å; W345-F410 HydrophobicContact CH2-CD2 4.4Å; W345-F410 AromaticContact CH2-CE2 3.55Å; W345-F410 HydrophobicContact CH2-CE2 3.55Å; W345-F410 HydrophobicContact CH2-CZ 4.24Å; W345-F410 AromaticContact CZ2-CE2 3.85Å; W345-F410 HydrophobicContact CZ2-CE2 3.85Å; W345-F410 HydrophobicContact CZ3-CD2 4.48Å; W345-F410 AromaticContact CZ3-CE2 3.33Å; W345-F410 HydrophobicContact CZ3-CE2 3.33Å; W345-F410 AromaticContact CZ3-CZ 3.55Å; W345-F410 HydrophobicContact CZ3-CZ 3.55Å
346	V	96.2	Very high	91.7	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	150.1	-172.9	-178	0	0	0	0	110.3	M261 A265 A336 S337 P371 F372	M261-V346 HydrophobicContact CE-CB 4.02Å; M261-V346 HydrophobicContact CE-CG1 3.99Å; M261-V346 HydrophobicContact CE-CG2 3.76Å; A265-V346 HydrophobicContact CB-CG2 3.64Å; A336-V346 HydrophobicContact CB-CG1 3.83Å; S337-V346 VanDerWaalsContact O-CG1 3.31Å; S337-V346 WeakPolarHBondContact O-CG1 3.42Å; V346-P371 WeakPolarHBondContact O-CA 3.43Å; V346-F372 HydrophobicContact CB-CD2 4.19Å; V346-F372 HydrophobicContact CB-CE1 4.23Å; V346-F372 HydrophobicContact CB-CE2 3.63Å; V346-F372 HydrophobicContact CB-CZ 3.64Å; V346-F372 HydrophobicContact CG1-CE1 4.08Å; V346-F372 HydrophobicContact CG1-CE2 3.92Å; V346-F372 HydrophobicContact CG1-CZ 3.45Å; V346-F372 VanDerWaalsContact CG1-CZ 3.45Å; V346-F372 PolarHBondContact N-O 2.89Å; V346-F372 WeakPolarHBondContact O-CD1 3.44Å; V346-F372 WeakPolarHBondContact O-CE1 3.37Å; V346-F372 PolarHBondContact O-N 3.12Å
347	V	95.2	Very high	90.7	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	144.6	167.5	-67.3	0	0	0	0	109.7	F214 F236 A336 S337 L339 L369 F421	F214-V347 HydrophobicContact CE2-CG2 4.2Å; F214-V347 HydrophobicContact CZ-CG2 4.13Å; F236-V347 HydrophobicContact CD1-CG2 3.9Å; F236-V347 HydrophobicContact CE1-CG2 3.84Å; A336-V347 CarbonylContact C-O 3.58Å; A336-V347 WeakPolarHBondContact CA-O 3.2Å; S337-V347 PolarHBondContact N-O 2.84Å; S337-V347 WeakPolarHBondContact O-CG2 3.2Å; S337-V347 PolarHBondContact O-N 2.88Å; L339-V347 HydrophobicContact CD1-CG1 4.17Å; L339-V347 HydrophobicContact CD2-CG1 3.92Å; L339-V347 HydrophobicContact CD2-CG2 4.26Å; L339-V347 HydrophobicContact CG-CG1 4.12Å; V347-L369 HydrophobicContact CB-CB 4.14Å; V347-L369 HydrophobicContact CB-CD1 4.35Å; V347-L369 HydrophobicContact CG2-CD1 4.49Å; V347-F421 HydrophobicContact CG1-CB 4.06Å
348	G	92.2	Very high	89.9	Confident	7 Å²	7	18 Å²	18	7%	0.072	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.1	178.9	-177	0	0	0	0	0	114.5	L335	L335-G348 CarbonylContact O-C 3.57Å; L335-G348 WeakPolarHBondContact O-CA 3.47Å
349	L	91	Very high	89.4	Confident	9 Å²	9	20.9 Å²	20.9	5%	0.047	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	138.2	171.7	-175.9	66.1	0	0	0	109.2	S334 L335 F352 F367 L424 F426	S334-L349 CarbonylContact C-O 3.19Å; S334-L349 WeakPolarHBondContact CA-O 3.31Å; L335-L349 PolarHBondContact N-O 3.09Å; L335-L349 PolarHBondContact O-N 3.1Å; L335-L349 VanDerWaalsContact O-O 3.07Å; L349-F352 HydrophobicContact CD1-CB 4.29Å; L349-F352 HydrophobicContact CD2-CB 3.53Å; L349-F352 HydrophobicContact CD2-CD1 4.32Å; L349-F352 HydrophobicContact CD2-CG 4Å; L349-F352 HydrophobicContact CG-CB 3.89Å; L349-F367 HydrophobicContact CD2-CD2 3.95Å; L349-F367 HydrophobicContact CD2-CE2 3.85Å; L349-F367 HydrophobicContact CD2-CZ 4.34Å; L349-L424 HydrophobicContact CB-CD2 3.91Å; L349-L424 HydrophobicContact CD2-CD2 4.05Å; L349-F426 HydrophobicContact CD2-CE2 3.49Å; L349-F426 VanDerWaalsContact CD2-CE2 3.49Å; L349-F426 HydrophobicContact CD2-CZ 3.78Å
350	S	85.8	Confident	89.1	Confident	8 Å²	8	22.8 Å²	22.8	6%	0.056	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	138.5	175.9	173.6	0	0	0	0	110.5	A188 W251 F352	A188-S350 WeakPolarHBondContact CB-O 3.13Å; W251-S350 VanDerWaalsContact O-CB 3.28Å; W251-S350 WeakPolarHBondContact O-CB 3.38Å; W251-S350 PolarHBondContact O-OG 3.27Å; S350-F352 VanDerWaalsContact C-N 3.27Å; S350-F352 PolarHBondContact O-N 2.7Å
351	S	86.2	Confident	89	Confident	11 Å²	11	23 Å²	23	8%	0.077	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	45.2	40.8	165.1	-53.3	0	0	0	0	115.9	V333 S334	V333-S351 PolarHBondContact O-N 3.42Å; S334-S351 PolarHBondContact OG-N 2.99Å
352	F	87.7	Confident	88.9	Confident	15 Å²	15	24 Å²	24	7%	0.066	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	128.2	-179.2	179.1	-107.8	0	0	0	111.6	L332 V333 L349 S350 L354 I362 K365 F367	L332-F352 CarbonylContact C-O 3.56Å; L332-F352 VanDerWaalsContact CA-O 3.3Å; L332-F352 WeakPolarHBondContact CA-O 3.31Å; V333-F352 HydrophobicContact CG1-CB 4.06Å; V333-F352 HydrophobicContact CG1-CD1 4.18Å; V333-F352 PolarHBondContact N-O 3.05Å; V333-F352 PolarHBondContact O-N 2.63Å; L349-F352 HydrophobicContact CD1-CB 4.29Å; L349-F352 HydrophobicContact CD2-CB 3.53Å; L349-F352 HydrophobicContact CD2-CD1 4.32Å; L349-F352 HydrophobicContact CD2-CG 4Å; L349-F352 HydrophobicContact CG-CB 3.89Å; S350-F352 VanDerWaalsContact C-N 3.27Å; S350-F352 PolarHBondContact O-N 2.7Å; F352-L354 HydrophobicContact CD1-CD2 4.1Å; F352-L354 HydrophobicContact CD1-CG 4.3Å; F352-L354 HydrophobicContact CE1-CD2 3.85Å; F352-L354 HydrophobicContact CE1-CG 4.39Å; F352-I362 HydrophobicContact CE1-CD1 4.01Å; F352-I362 HydrophobicContact CZ-CD1 3.83Å; F352-K365 HydrophobicContact CE1-CG 4.24Å; F352-K365 HydrophobicContact CZ-CG 4.08Å; F352-F367 HydrophobicContact CD1-CE2 4.01Å; F352-F367 AromaticContact CD1-CZ 3.93Å; F352-F367 HydrophobicContact CD1-CZ 3.93Å; F352-F367 HydrophobicContact CD2-CE1 4.34Å; F352-F367 AromaticContact CD2-CZ 3.69Å; F352-F367 HydrophobicContact CD2-CZ 3.69Å; F352-F367 AromaticContact CE1-CE2 3.96Å; F352-F367 HydrophobicContact CE1-CE2 3.96Å; F352-F367 AromaticContact CE1-CZ 3.75Å; F352-F367 HydrophobicContact CE1-CZ 3.75Å; F352-F367 HydrophobicContact CE2-CE1 4.25Å; F352-F367 AromaticContact CE2-CZ 3.54Å; F352-F367 HydrophobicContact CE2-CZ 3.54Å; F352-F367 HydrophobicContact CG-CE2 4.3Å; F352-F367 AromaticContact CG-CZ 3.9Å; F352-F367 HydrophobicContact CG-CZ 3.9Å; F352-F367 HydrophobicContact CZ-CE2 4.24Å; F352-F367 AromaticContact CZ-CZ 3.58Å; F352-F367 HydrophobicContact CZ-CZ 3.58Å
353	N	87.2	Confident	88.6	Confident	29 Å²	29	29.5 Å²	29.5	16%	0.155	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	117.1	-179.5	-167.6	-9.5	0	0	0	112.1	H331 L332 C355	H331-N353 PolarHBondContact CD2-OD1 3.19Å; H331-N353 VanDerWaalsContact CD2-OD1 3.28Å; L332-N353 HydrophobicContact CD2-CB 3.62Å; N353-C355 WeakPolarHBondContact OD1-CA 3.41Å; N353-C355 VanDerWaalsContact OD1-CB 3.27Å; N353-C355 WeakPolarHBondContact OD1-CB 3.41Å; N353-C355 PolarHBondContact OD1-N 3.02Å; N353-C355 PolarHBondContact OD1-O 3.34Å
354	L	90.7	Very high	88.5	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.186	C	C	.	.			trans	-87.3	-11.2	176.7	-72.4	165.9	0	0	0	113.5	Y210 F324 V326 H331 V333 F352 W361 I362 F426	Y210-L354 HydrophobicContact CD2-CD1 4.32Å; Y210-L354 HydrophobicContact CE1-CD2 4.06Å; Y210-L354 HydrophobicContact CE2-CD1 4.33Å; Y210-L354 HydrophobicContact CG-CD1 4.48Å; F324-L354 HydrophobicContact CE2-CD1 3.76Å; F324-L354 HydrophobicContact CZ-CD1 3.8Å; V326-L354 HydrophobicContact CG1-CD1 3.9Å; H331-L354 PolarHBondContact O-N 2.84Å; V333-L354 HydrophobicContact CB-CD1 4.17Å; V333-L354 HydrophobicContact CG1-CD1 3.87Å; V333-L354 HydrophobicContact CG1-CG 4.16Å; F352-L354 HydrophobicContact CD1-CD2 4.1Å; F352-L354 HydrophobicContact CD1-CG 4.3Å; F352-L354 HydrophobicContact CE1-CD2 3.85Å; F352-L354 HydrophobicContact CE1-CG 4.39Å; L354-W361 HydrophobicContact CB-CE3 4.21Å; L354-W361 HydrophobicContact CB-CZ3 4.21Å; L354-I362 WeakPolarHBondContact O-CG1 3.4Å; L354-I362 PolarHBondContact O-N 2.77Å; L354-I362 VanDerWaalsContact O-N 3.12Å; L354-F426 HydrophobicContact CD2-CB 4.24Å; L354-F426 HydrophobicContact CD2-CG 4.37Å
355	C	89.1	Confident	87.8	Confident	14 Å²	14	36.8 Å²	36.8	10%	0.095	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-85	134.2	178.1	-173.5	0	0	0	0	111	C202 H331 N353 W361	C202-C355 VanDerWaalsContact CA-SG 3.51Å; C202-C355 HydrophobicContact CB-CB 3.57Å; C202-C355 WeakPolarHBondContact CB-SG 3.45Å; C202-C355 WeakPolarHBondContact SG-CB 2.84Å; C202-C355 CovalentContact SG-SG 2.03Å; C202-C355 PolarHBondContact SG-SG 2.85Å; H331-C355 HydrophobicContact CB-CB 3.92Å; N353-C355 WeakPolarHBondContact OD1-CA 3.41Å; N353-C355 VanDerWaalsContact OD1-CB 3.27Å; N353-C355 WeakPolarHBondContact OD1-CB 3.41Å; N353-C355 PolarHBondContact OD1-N 3.02Å; N353-C355 PolarHBondContact OD1-O 3.34Å; C355-W361 HydrophobicContact CB-CE3 4.31Å; C355-W361 HydrophobicContact CB-CH2 4.28Å; C355-W361 HydrophobicContact CB-CZ3 3.85Å
356	L	81.9	Confident	87.2	Confident	38 Å²	38	38.2 Å²	38.2	20%	0.199	20%	0.203	C	C	.	.			trans	-95.4	152.1	177.7	-68.3	172.3	0	0	0	111.1	N358 C359 S360 I362	L356-N358 WeakPolarHBondContact CB-OD1 3.26Å; L356-N358 PolarHBondContact O-N 2.85Å; L356-N358 VanDerWaalsContact O-N 3.09Å; L356-C359 PolarHBondContact O-N 3.19Å; L356-S360 WeakPolarHBondContact CB-O 3.45Å; L356-S360 PolarHBondContact N-O 3.07Å; L356-I362 HydrophobicContact CD1-CG1 4.18Å; L356-I362 HydrophobicContact CD2-CD1 4.27Å; L356-I362 HydrophobicContact CD2-CG1 3.61Å; L356-I362 HydrophobicContact CG-CG1 3.7Å
357	K	76.7	Confident	86.6	Confident	134 Å²	134	39 Å²	39	58%	0.583	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-18	177.9	-56.6	-162.3	-174.1	-145.1	0	114.3	D197 E200 C359	D197-K357 WeakPolarHBondContact OD1-CE 3.44Å; D197-K357 IonicContact OD1-NZ 2.96Å; D197-K357 PolarHBondContact OD1-NZ 3.45Å; E200-K357 IonicContact OE1-NZ 2.74Å; E200-K357 PolarHBondContact OE1-NZ 2.81Å; E200-K357 WeakPolarHBondContact OE2-CE 3.42Å; E200-K357 IonicContact OE2-NZ 2.87Å; E200-K357 PolarHBondContact OE2-NZ 2.9Å; K357-C359 PolarHBondContact O-N 2.73Å
358	N	81.5	Confident	86.1	Confident	104 Å²	104	40.5 Å²	40.5	56%	0.556	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	16.2	173.5	69.6	-11.4	0	0	0	113	L356 S360	L356-N358 WeakPolarHBondContact CB-OD1 3.26Å; L356-N358 PolarHBondContact O-N 2.85Å; L356-N358 VanDerWaalsContact O-N 3.09Å; N358-S360 VanDerWaalsContact CG-OG 3.23Å; N358-S360 PolarHBondContact ND2-OG 3.43Å; N358-S360 PolarHBondContact O-N 2.95Å; N358-S360 WeakPolarHBondContact OD1-CB 3.5Å; N358-S360 PolarHBondContact OD1-N 2.78Å; N358-S360 PolarHBondContact OD1-OG 2.86Å
359	C	85.1	Confident	85.8	Confident	59 Å²	59	40.4 Å²	40.4	40%	0.399	21%	0.21	S	C	.	.	S	Bend	trans	60.1	31.2	-179.2	-45.6	0	0	0	0	114	C203 S204 L356 K357	C203-C359 HydrophobicContact CB-CB 4.02Å; C203-C359 WeakPolarHBondContact CB-SG 3.41Å; C203-C359 WeakPolarHBondContact SG-CA 3.28Å; C203-C359 WeakPolarHBondContact SG-CB 3.41Å; C203-C359 PolarHBondContact SG-N 2.89Å; C203-C359 VanDerWaalsContact SG-N 3.39Å; C203-C359 CovalentContact SG-SG 2.04Å; C203-C359 PolarHBondContact SG-SG 2.92Å; S204-C359 WeakPolarHBondContact CA-O 3.48Å; S204-C359 VanDerWaalsContact CB-O 3.25Å; S204-C359 WeakPolarHBondContact CB-O 3.4Å; S204-C359 PolarHBondContact OG-O 3.35Å; L356-C359 PolarHBondContact O-N 3.19Å; K357-C359 PolarHBondContact O-N 2.73Å
360	S	87.7	Confident	85.6	Confident	40 Å²	40	40.8 Å²	40.8	28%	0.28	21%	0.212	S	C	.	.			trans	-121.9	178.6	173.3	77.2	0	0	0	0	111.5	L356 N358	L356-S360 WeakPolarHBondContact CB-O 3.45Å; L356-S360 PolarHBondContact N-O 3.07Å; N358-S360 VanDerWaalsContact CG-OG 3.23Å; N358-S360 PolarHBondContact ND2-OG 3.43Å; N358-S360 PolarHBondContact O-N 2.95Å; N358-S360 WeakPolarHBondContact OD1-CB 3.5Å; N358-S360 PolarHBondContact OD1-N 2.78Å; N358-S360 PolarHBondContact OD1-OG 2.86Å
361	W	89.5	Confident	85.9	Confident	4 Å²	4	40.5 Å²	40.5	2%	0.015	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-109.7	136.9	-175.8	-68.4	107.1	0	0	0	110.7	S204 D206 A208 Y210 V326 D327 H331 L354 C355 D363 K428	S204-W361 PolarHBondContact OG-NE1 3.12Å; S204-W361 VanDerWaalsContact OG-NE1 3.15Å; D206-W361 VanDerWaalsContact O-CZ2 3.28Å; D206-W361 WeakPolarHBondContact O-CZ2 3.32Å; D206-W361 PolarHBondContact O-NE1 2.97Å; A208-W361 HydrophobicContact CB-CB 4.14Å; A208-W361 HydrophobicContact CB-CD2 3.72Å; A208-W361 HydrophobicContact CB-CE3 4.37Å; A208-W361 HydrophobicContact CB-CG 3.58Å; Y210-W361 HydrophobicContact CE2-CE3 4.37Å; Y210-W361 WeakPolarHBondContact OH-CB 3.25Å; V326-W361 HydrophobicContact CB-CH2 4.02Å; V326-W361 HydrophobicContact CB-CZ3 3.96Å; V326-W361 HydrophobicContact CG2-CD2 4.24Å; V326-W361 HydrophobicContact CG2-CE3 3.68Å; V326-W361 HydrophobicContact CG2-CH2 3.7Å; V326-W361 HydrophobicContact CG2-CZ2 4.23Å; V326-W361 HydrophobicContact CG2-CZ3 3.39Å; D327-W361 WeakPolarHBondContact O-CH2 3.36Å; H331-W361 HydrophobicContact CB-CH2 3.89Å; H331-W361 HydrophobicContact CB-CZ3 4.01Å; L354-W361 HydrophobicContact CB-CE3 4.21Å; L354-W361 HydrophobicContact CB-CZ3 4.21Å; C355-W361 HydrophobicContact CB-CE3 4.31Å; C355-W361 HydrophobicContact CB-CH2 4.28Å; C355-W361 HydrophobicContact CB-CZ3 3.85Å; W361-D363 PolarHBondContact O-N 2.86Å; W361-K428 HydrophobicContact CB-CD 3.66Å; W361-K428 PolarHBondContact O-NZ 3.35Å
362	I	87.5	Confident	86.2	Confident	23 Å²	23	40 Å²	40	12%	0.118	21%	0.206	C	C	.	.			trans	-54.1	128.1	177.4	-67.3	176.1	0	0	0	110.8	Y210 F352 L354 L356 K365	Y210-I362 VanDerWaalsContact CE1-O 3.27Å; Y210-I362 WeakPolarHBondContact CE1-O 3.44Å; Y210-I362 VanDerWaalsContact CZ-O 3.31Å; Y210-I362 PolarHBondContact OH-N 2.83Å; Y210-I362 VanDerWaalsContact OH-N 3.14Å; Y210-I362 PolarHBondContact OH-O 3.21Å; F352-I362 HydrophobicContact CE1-CD1 4.01Å; F352-I362 HydrophobicContact CZ-CD1 3.83Å; L354-I362 WeakPolarHBondContact O-CG1 3.4Å; L354-I362 PolarHBondContact O-N 2.77Å; L354-I362 VanDerWaalsContact O-N 3.12Å; L356-I362 HydrophobicContact CD1-CG1 4.18Å; L356-I362 HydrophobicContact CD2-CD1 4.27Å; L356-I362 HydrophobicContact CD2-CG1 3.61Å; L356-I362 HydrophobicContact CG-CG1 3.7Å; I362-K365 HydrophobicContact CG2-CB 3.9Å
363	D	87.2	Confident	86.5	Confident	115 Å²	115	40.8 Å²	40.8	62%	0.615	21%	0.211	S	C	*	.	S	Bend	trans	-68.8	-51.7	178.9	-66.7	-42.7	0	0	0	112.4	W361 K428	W361-D363 PolarHBondContact O-N 2.86Å; D363-K428 WeakPolarHBondContact O-CB 3.45Å; D363-K428 PolarHBondContact O-N 2.8Å; D363-K428 WeakPolarHBondContact OD1-CE 3.45Å; D363-K428 IonicContact OD1-NZ 2.72Å; D363-K428 PolarHBondContact OD1-NZ 2.85Å
364	E	88.3	Confident	86.8	Confident	121 Å²	121	39.4 Å²	39.4	57%	0.565	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-149.8	138.9	178.5	-172.2	177.1	176.1	0	0	110.1	T425 F426	E364-T425 HydrophobicContact CG-CG2 4.01Å; E364-F426 CarbonylContact C-O 3.44Å; E364-F426 VanDerWaalsContact CA-O 3.23Å; E364-F426 WeakPolarHBondContact CA-O 3.37Å
365	K	82.4	Confident	86.9	Confident	37 Å²	37	39.4 Å²	39.4	16%	0.161	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	136.6	172.9	-177.1	63.6	178.8	170.1	0	111.3	E67 F352 I362 F367 T425 F426	E67-K365 IonicContact OE1-NZ 2.84Å; E67-K365 PolarHBondContact OE1-NZ 2.86Å; F352-K365 HydrophobicContact CE1-CG 4.24Å; F352-K365 HydrophobicContact CZ-CG 4.08Å; I362-K365 HydrophobicContact CG2-CB 3.9Å; K365-F367 HydrophobicContact CB-CE2 4.32Å; K365-F367 HydrophobicContact CD-CZ 4.22Å; K365-F367 HydrophobicContact CG-CD2 4.25Å; K365-F367 HydrophobicContact CG-CE1 4.3Å; K365-F367 HydrophobicContact CG-CE2 3.42Å; K365-F367 VanDerWaalsContact CG-CE2 3.42Å; K365-F367 HydrophobicContact CG-CZ 3.44Å; K365-F367 VanDerWaalsContact CG-CZ 3.44Å; K365-T425 CarbonylContact O-C 3.59Å; K365-T425 WeakPolarHBondContact O-CA 3.45Å; K365-F426 PolarHBondContact N-O 2.84Å; K365-F426 PolarHBondContact O-N 3.19Å
366	T	82.6	Confident	87.1	Confident	35 Å²	35	38.9 Å²	38.9	22%	0.215	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	140.6	-177.5	-58.6	0	0	0	0	110.6	K423 L424	T366-K423 HydrophobicContact CG2-CD 4.1Å; T366-K423 HydrophobicContact CG2-CG 3.71Å; T366-L424 CarbonylContact C-O 3.49Å; T366-L424 VanDerWaalsContact CA-O 3.28Å; T366-L424 WeakPolarHBondContact CA-O 3.44Å
367	F	83.2	Confident	87.6	Confident	16 Å²	16	37.2 Å²	37.2	7%	0.07	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	139.8	175.2	-59.6	-84.1	0	0	0	110.1	L349 F352 K365 L369 K423 L424 F426	L349-F367 HydrophobicContact CD2-CD2 3.95Å; L349-F367 HydrophobicContact CD2-CE2 3.85Å; L349-F367 HydrophobicContact CD2-CZ 4.34Å; F352-F367 HydrophobicContact CD1-CE2 4.01Å; F352-F367 AromaticContact CD1-CZ 3.93Å; F352-F367 HydrophobicContact CD1-CZ 3.93Å; F352-F367 HydrophobicContact CD2-CE1 4.34Å; F352-F367 AromaticContact CD2-CZ 3.69Å; F352-F367 HydrophobicContact CD2-CZ 3.69Å; F352-F367 AromaticContact CE1-CE2 3.96Å; F352-F367 HydrophobicContact CE1-CE2 3.96Å; F352-F367 AromaticContact CE1-CZ 3.75Å; F352-F367 HydrophobicContact CE1-CZ 3.75Å; F352-F367 HydrophobicContact CE2-CE1 4.25Å; F352-F367 AromaticContact CE2-CZ 3.54Å; F352-F367 HydrophobicContact CE2-CZ 3.54Å; F352-F367 HydrophobicContact CG-CE2 4.3Å; F352-F367 AromaticContact CG-CZ 3.9Å; F352-F367 HydrophobicContact CG-CZ 3.9Å; F352-F367 HydrophobicContact CZ-CE2 4.24Å; F352-F367 AromaticContact CZ-CZ 3.58Å; F352-F367 HydrophobicContact CZ-CZ 3.58Å; K365-F367 HydrophobicContact CB-CE2 4.32Å; K365-F367 HydrophobicContact CD-CZ 4.22Å; K365-F367 HydrophobicContact CG-CD2 4.25Å; K365-F367 HydrophobicContact CG-CE1 4.3Å; K365-F367 HydrophobicContact CG-CE2 3.42Å; K365-F367 VanDerWaalsContact CG-CE2 3.42Å; K365-F367 HydrophobicContact CG-CZ 3.44Å; K365-F367 VanDerWaalsContact CG-CZ 3.44Å; F367-L369 HydrophobicContact CB-CD2 4.33Å; F367-K423 CarbonylContact O-C 3.6Å; F367-K423 WeakPolarHBondContact O-CA 3.24Å; F367-L424 HydrophobicContact CB-CB 4.39Å; F367-L424 PolarHBondContact N-O 2.93Å; F367-L424 PolarHBondContact O-N 3.31Å; F367-F426 HydrophobicContact CD2-CD2 4.03Å; F367-F426 AromaticContact CD2-CE2 3.85Å; F367-F426 HydrophobicContact CD2-CE2 3.85Å; F367-F426 AromaticContact CE2-CD2 3.84Å; F367-F426 HydrophobicContact CE2-CD2 3.84Å; F367-F426 AromaticContact CE2-CE2 3.81Å; F367-F426 HydrophobicContact CE2-CE2 3.81Å
368	Y	83.5	Confident	88.2	Confident	31 Å²	31	33.6 Å²	33.6	12%	0.122	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	130.2	164.9	-69.1	-81.7	0	0	0	108.7	I64 P65 L217 P420 K423	I64-Y368 HydrophobicContact CG2-CD2 4.11Å; P65-Y368 WeakPolarHBondContact O-CE2 3.34Å; P65-Y368 PolarHBondContact O-OH 3.39Å; L217-Y368 HydrophobicContact CD1-CD1 4.09Å; L217-Y368 HydrophobicContact CD1-CE1 4.14Å; Y368-P420 HydrophobicContact CD1-CB 3.84Å; Y368-P420 HydrophobicContact CD1-CG 3.64Å; Y368-P420 HydrophobicContact CE1-CG 4.35Å; Y368-P420 HydrophobicContact CG-CB 4.19Å; Y368-P420 HydrophobicContact CG-CG 4.28Å; Y368-K423 HydrophobicContact CD1-CB 4.21Å; Y368-K423 HydrophobicContact CD1-CG 4.43Å; Y368-K423 HydrophobicContact CE1-CB 4.25Å; Y368-K423 HydrophobicContact CE1-CD 4.16Å; Y368-K423 HydrophobicContact CE1-CG 4.2Å
369	L	86.8	Confident	88.5	Confident	5 Å²	5	29 Å²	29	3%	0.026	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	135.8	-174.9	-54.7	-173	0	0	0	110.4	F214 V347 F367 F421 A422 L424	F214-L369 HydrophobicContact CD2-CD1 4.14Å; F214-L369 HydrophobicContact CE2-CD1 3.67Å; V347-L369 HydrophobicContact CB-CB 4.14Å; V347-L369 HydrophobicContact CB-CD1 4.35Å; V347-L369 HydrophobicContact CG2-CD1 4.49Å; F367-L369 HydrophobicContact CB-CD2 4.33Å; L369-F421 PolarHBondContact O-N 3.42Å; L369-A422 HydrophobicContact CB-CB 4.24Å; L369-A422 HydrophobicContact CD1-CB 4.15Å; L369-A422 HydrophobicContact CG-CB 4.45Å; L369-A422 PolarHBondContact N-O 2.88Å; L369-L424 HydrophobicContact CD1-CB 4.08Å; L369-L424 HydrophobicContact CD2-CB 4.05Å; L369-L424 HydrophobicContact CD2-CD2 4.2Å; L369-L424 HydrophobicContact CG-CB 4.09Å
370	Y	86.9	Confident	88.6	Confident	18 Å²	18	27.2 Å²	27.2	7%	0.071	15%	0.146	C	C	.	.			trans	-120.7	150.3	178.3	-62.3	-81.5	0	0	0	109.1	L180 L418 P420	L180-Y370 HydrophobicContact CD1-CE2 4.41Å; Y370-L418 HydrophobicContact CD1-CD2 4.49Å; Y370-L418 VanDerWaalsContact CE1-O 3.31Å; Y370-L418 WeakPolarHBondContact CE1-O 3.44Å; Y370-P420 HydrophobicContact CE1-CB 4.07Å
371	P	92.8	Very high	88.6	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.006	14%	0.139	C	C	.	.			trans	-70.3	142.7	-177.5	29.1	-34.3	0	0	0	111.3	L339 V346 I398 F410 L418 F421	L339-P371 HydrophobicContact CD1-CB 3.77Å; V346-P371 WeakPolarHBondContact O-CA 3.43Å; P371-I398 HydrophobicContact CB-CB 4.47Å; P371-I398 HydrophobicContact CB-CD1 4.19Å; P371-I398 HydrophobicContact CG-CB 4.21Å; P371-I398 PolarHBondContact O-N 2.79Å; P371-F410 HydrophobicContact CB-CE1 4.46Å; P371-F410 HydrophobicContact CB-CZ 4.42Å; P371-F410 HydrophobicContact CG-CD1 4.32Å; P371-F410 HydrophobicContact CG-CE1 3.87Å; P371-F410 HydrophobicContact CG-CZ 4.25Å; P371-L418 HydrophobicContact CG-CD2 4.05Å; P371-F421 HydrophobicContact CG-CD2 4.08Å; P371-F421 HydrophobicContact CG-CE2 3.95Å
372	F	91.9	Very high	88.5	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	148.1	167.1	62.1	-98.1	0	0	0	109.7	W251 Y253 M261 W345 V346 I395 K396	W251-F372 HydrophobicContact CD2-CZ 4.14Å; W251-F372 HydrophobicContact CE3-CE1 4.48Å; W251-F372 HydrophobicContact CE3-CE2 4.22Å; W251-F372 AromaticContact CE3-CZ 3.96Å; W251-F372 HydrophobicContact CE3-CZ 3.96Å; W251-F372 HydrophobicContact CH2-CD1 4.06Å; W251-F372 AromaticContact CH2-CE1 3.35Å; W251-F372 HydrophobicContact CH2-CE1 3.35Å; W251-F372 HydrophobicContact CH2-CE2 4.47Å; W251-F372 AromaticContact CH2-CZ 3.59Å; W251-F372 HydrophobicContact CH2-CZ 3.59Å; W251-F372 AromaticContact CZ2-CE1 3.76Å; W251-F372 HydrophobicContact CZ2-CE1 3.76Å; W251-F372 AromaticContact CZ2-CZ 3.77Å; W251-F372 HydrophobicContact CZ2-CZ 3.77Å; W251-F372 HydrophobicContact CZ3-CD1 4.25Å; W251-F372 AromaticContact CZ3-CE1 3.76Å; W251-F372 HydrophobicContact CZ3-CE1 3.76Å; W251-F372 HydrophobicContact CZ3-CE2 4.14Å; W251-F372 AromaticContact CZ3-CZ 3.69Å; W251-F372 HydrophobicContact CZ3-CZ 3.69Å; Y253-F372 HydrophobicContact CE1-CB 4.11Å; Y253-F372 HydrophobicContact CE1-CG 4.49Å; M261-F372 HydrophobicContact CE-CE2 3.52Å; M261-F372 HydrophobicContact CE-CZ 4.05Å; W345-F372 WeakPolarHBondContact CA-O 3.43Å; V346-F372 HydrophobicContact CB-CD2 4.19Å; V346-F372 HydrophobicContact CB-CE1 4.23Å; V346-F372 HydrophobicContact CB-CE2 3.63Å; V346-F372 HydrophobicContact CB-CZ 3.64Å; V346-F372 HydrophobicContact CG1-CE1 4.08Å; V346-F372 HydrophobicContact CG1-CE2 3.92Å; V346-F372 HydrophobicContact CG1-CZ 3.45Å; V346-F372 VanDerWaalsContact CG1-CZ 3.45Å; V346-F372 PolarHBondContact N-O 2.89Å; V346-F372 WeakPolarHBondContact O-CD1 3.44Å; V346-F372 WeakPolarHBondContact O-CE1 3.37Å; V346-F372 PolarHBondContact O-N 3.12Å; F372-I395 HydrophobicContact CB-CG2 4.49Å; F372-I395 HydrophobicContact CD2-CG2 3.47Å; F372-I395 VanDerWaalsContact CD2-CG2 3.47Å; F372-I395 HydrophobicContact CE2-CG2 3.9Å; F372-I395 HydrophobicContact CG-CG2 4.23Å; F372-K396 CarbonylContact C-O 3.26Å; F372-K396 VanDerWaalsContact CA-O 3.32Å; F372-K396 WeakPolarHBondContact CA-O 3.3Å; F372-K396 WeakPolarHBondContact CB-O 3.38Å
373	D	93.5	Very high	88.1	Confident	32 Å²	32	26 Å²	26	17%	0.171	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	124.8	176.5	-172.1	-46.4	0	0	0	108.1	G375 I395 K396 I398	D373-G375 VanDerWaalsContact C-N 3.27Å; D373-G375 WeakPolarHBondContact OD1-CA 3.24Å; D373-G375 PolarHBondContact OD1-N 3.05Å; D373-I395 WeakPolarHBondContact O-CA 3.33Å; D373-K396 PolarHBondContact N-O 3.06Å; D373-K396 PolarHBondContact O-N 3.19Å; D373-I398 HydrophobicContact CB-CD1 4.06Å; D373-I398 HydrophobicContact CB-CG1 3.95Å
374	A	94.9	Very high	88	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.108	C	C	.	.			trans	-77.8	-13.4	-178	0	0	0	0	0	113	A257 M261 A265 D344 V376	A257-A374 WeakPolarHBondContact CB-O 3.34Å; M261-A374 HydrophobicContact CE-CB 3.87Å; A265-A374 HydrophobicContact CB-CB 3.59Å; D344-A374 HydrophobicContact CB-CB 4.27Å; D344-A374 VanDerWaalsContact O-CB 3.31Å; D344-A374 WeakPolarHBondContact O-CB 3.24Å; D344-A374 PolarHBondContact O-N 2.98Å; A374-V376 HydrophobicContact CB-CG2 4.23Å
375	G	92.4	Very high	87.5	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	75.5	25.3	178	0	0	0	0	0	113.8	D344 D373 R392 E393	D344-G375 PolarHBondContact OD2-N 2.98Å; D373-G375 VanDerWaalsContact C-N 3.27Å; D373-G375 WeakPolarHBondContact OD1-CA 3.24Å; D373-G375 PolarHBondContact OD1-N 3.05Å; G375-R392 CarbonylContact O-C 3.36Å; G375-R392 VanDerWaalsContact O-CA 3.31Å; G375-R392 WeakPolarHBondContact O-CA 3.43Å; G375-E393 PolarHBondContact O-N 3.01Å
376	V	93.8	Very high	87.5	Confident	3 Å²	3	17.3 Å²	17.3	2%	0.018	10%	0.098	C	C	.	.	S	Bend	trans	-112.2	-21.6	-177.7	-61.9	0	0	0	0	113.2	A257 K262 A265 E266 D344 A374 S389 R392	A257-V376 HydrophobicContact CB-CG1 3.67Å; K262-V376 HydrophobicContact CB-CG1 4.03Å; K262-V376 HydrophobicContact CG-CB 4.06Å; K262-V376 HydrophobicContact CG-CG1 4.04Å; K262-V376 HydrophobicContact CG-CG2 4.27Å; A265-V376 HydrophobicContact CB-CG2 4.15Å; E266-V376 HydrophobicContact CG-CG2 3.83Å; D344-V376 HydrophobicContact CB-CG2 3.51Å; D344-V376 PolarHBondContact OD2-N 3.42Å; A374-V376 HydrophobicContact CB-CG2 4.23Å; V376-S389 PolarHBondContact O-N 3.23Å; V376-R392 HydrophobicContact CG1-CG 4.21Å
377	D	91.9	Very high	87.6	Confident	3 Å²	3	20 Å²	20	2%	0.016	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-132.4	140.6	172.9	-165.6	-66.3	0	0	0	110.3	P343 D344 G379 N386 N387 S389	P343-D377 HydrophobicContact CB-CB 3.98Å; P343-D377 WeakPolarHBondContact CB-OD1 3.39Å; D344-D377 HydrophobicContact CB-CB 3.98Å; D344-D377 PolarHBondContact OD2-N 3.44Å; D377-G379 PolarHBondContact OD1-N 3.33Å; D377-N386 WeakPolarHBondContact OD2-CA 3.2Å; D377-N386 PolarHBondContact OD2-OD1 3.11Å; D377-N387 PolarHBondContact OD1-N 2.87Å; D377-N387 PolarHBondContact OD2-N 2.73Å; D377-S389 WeakPolarHBondContact CA-OG 3.49Å; D377-S389 PolarHBondContact N-OG 2.97Å; D377-S389 PolarHBondContact O-OG 2.71Å
378	S	88.9	Confident	87.9	Confident	58 Å²	58	22.1 Å²	22.1	41%	0.406	13%	0.126	S	C	.	.			trans	-96.7	15.6	-176	-68.6	0	0	0	0	113	N387 S389	S378-N387 WeakPolarHBondContact CB-ND2 3.5Å; S378-N387 WeakPolarHBondContact CB-O 3.45Å; S378-N387 PolarHBondContact N-O 3.17Å; S378-S389 PolarHBondContact N-OG 3.45Å; S378-S389 VanDerWaalsContact N-OG 3.14Å; S378-S389 PolarHBondContact OG-OG 3.03Å
379	G	88.3	Confident	88.1	Confident	7 Å²	7	21.1 Å²	21.1	7%	0.072	12%	0.124	C	C	.	.			trans	-62.4	149	173.5	0	0	0	0	0	112.3	P343 D377	P343-G379 VanDerWaalsContact CG-C 3.44Å; P343-G379 WeakPolarHBondContact CG-O 3.43Å; D377-G379 PolarHBondContact OD1-N 3.33Å
380	I	86.7	Confident	88	Confident	22 Å²	22	28.2 Å²	28.2	11%	0.113	16%	0.16	C	C	.	.			trans	-113.7	-19	-174.6	-160.9	59.7	0	0	0	113.5	W345 S384 P403 D405 R407 S408 P409	W345-I380 WeakPolarHBondContact CH2-O 3.36Å; I380-S384 PolarHBondContact N-OG 2.88Å; I380-P403 HydrophobicContact CD1-CB 3.76Å; I380-P403 HydrophobicContact CD1-CG 3.28Å; I380-D405 HydrophobicContact CD1-CB 3.91Å; I380-D405 HydrophobicContact CG1-CB 3.83Å; I380-R407 HydrophobicContact CG2-CB 4Å; I380-S408 WeakPolarHBondContact O-CA 3.32Å; I380-P409 WeakPolarHBondContact O-CD 3.48Å
381	T	86.8	Confident	88	Confident	24 Å²	24	32.8 Å²	32.8	15%	0.147	19%	0.192	C	C	.	.	S	Bend	trans	-114.4	160.9	178	80.2	0	0	0	0	110.1	P343 M383 S384 R407 D529	P343-T381 WeakPolarHBondContact CD-O 3.44Å; P343-T381 WeakPolarHBondContact CG-O 3.48Å; T381-M383 PolarHBondContact O-N 3.33Å; T381-M383 PolarHBondContact OG1-N 3.34Å; T381-S384 PolarHBondContact N-OG 3.26Å; T381-S384 PolarHBondContact O-N 3.41Å; T381-S384 PolarHBondContact O-OG 2.67Å; T381-S384 PolarHBondContact OG1-N 3.47Å; T381-S384 PolarHBondContact OG1-OG 2.62Å; T381-S384 VanDerWaalsContact OG1-OG 3.13Å; T381-R407 HydrophobicContact CG2-CB 4.4Å; T381-D529 PolarHBondContact OG1-OD1 2.84Å
382	Y	88	Confident	87.8	Confident	5 Å²	5	36.1 Å²	36.1	2%	0.02	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-33.6	175.1	-72.9	-63.5	0	0	0	112.7	W218 D226 P228 P341 S342 W345 P409 F410 K484	W218-Y382 HydrophobicContact CH2-CD1 4.23Å; W218-Y382 AromaticContact CH2-CE1 3.95Å; W218-Y382 HydrophobicContact CH2-CE1 3.95Å; W218-Y382 HydrophobicContact CZ2-CD1 4.02Å; W218-Y382 AromaticContact CZ2-CE1 3.44Å; W218-Y382 HydrophobicContact CZ2-CE1 3.44Å; W218-Y382 VanDerWaalsContact CZ2-CE1 3.44Å; W218-Y382 HydrophobicContact CZ2-CE2 4.33Å; W218-Y382 AromaticContact CZ2-CZ 3.63Å; D226-Y382 VanDerWaalsContact O-CD2 3.29Å; D226-Y382 WeakPolarHBondContact O-CD2 3.3Å; P228-Y382 HydrophobicContact CG-CD2 4.08Å; P228-Y382 HydrophobicContact CG-CG 4.01Å; P341-Y382 CarbonylContact C-O 3.57Å; P341-Y382 WeakPolarHBondContact O-CA 3.5Å; P341-Y382 VanDerWaalsContact O-CB 3.32Å; P341-Y382 WeakPolarHBondContact O-CB 3.29Å; P341-Y382 WeakPolarHBondContact O-CD1 3.06Å; S342-Y382 WeakPolarHBondContact CA-O 3.39Å; S342-Y382 PolarHBondContact N-O 2.9Å; W345-Y382 AromaticContact CE3-CD1 3.75Å; W345-Y382 HydrophobicContact CE3-CD1 3.75Å; W345-Y382 AromaticContact CE3-CE1 3.77Å; W345-Y382 HydrophobicContact CE3-CE1 3.77Å; W345-Y382 HydrophobicContact CH2-CD1 4.49Å; W345-Y382 AromaticContact CZ3-CD1 3.34Å; W345-Y382 HydrophobicContact CZ3-CD1 3.34Å; W345-Y382 AromaticContact CZ3-CE1 3.53Å; W345-Y382 HydrophobicContact CZ3-CE1 3.53Å; W345-Y382 AromaticContact CZ3-CG 3.88Å; W345-Y382 HydrophobicContact CZ3-CG 3.88Å; Y382-P409 HydrophobicContact CD2-CB 3.93Å; Y382-P409 HydrophobicContact CD2-CG 3.54Å; Y382-P409 HydrophobicContact CE2-CB 3.41Å; Y382-P409 VanDerWaalsContact CE2-CB 3.41Å; Y382-P409 HydrophobicContact CE2-CG 3.56Å; Y382-P409 HydrophobicContact CG-CG 4.21Å; Y382-F410 HydrophobicContact CE1-CZ 4.25Å; Y382-K484 PolarHBondContact O-NZ 3.14Å; Y382-K484 VanDerWaalsContact O-NZ 3.17Å
383	M	78.9	Confident	87.7	Confident	14 Å²	14	40.1 Å²	40.1	7%	0.069	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	13.3	-173.8	-51.6	-171.3	67.6	0	0	114.5	L230 L233 P341 T381 N526 F527	L230-M383 HydrophobicContact CB-CE 4.44Å; L230-M383 HydrophobicContact CD1-CE 3.79Å; L230-M383 HydrophobicContact CG-CE 4.12Å; L233-M383 HydrophobicContact CD1-CE 4.41Å; P341-M383 HydrophobicContact CG-CG 4.19Å; T381-M383 PolarHBondContact O-N 3.33Å; T381-M383 PolarHBondContact OG1-N 3.34Å; M383-N526 WeakPolarHBondContact CB-O 3.43Å; M383-N526 HydrophobicContact CE-CB 3.64Å; M383-N526 WeakPolarHBondContact CE-O 3.46Å; M383-N526 HydrophobicContact SD-CB 4Å; M383-F527 HydrophobicContact CE-CD1 4Å; M383-F527 HydrophobicContact CE-CE1 3.43Å; M383-F527 VanDerWaalsContact CE-CE1 3.43Å; M383-F527 HydrophobicContact CE-CZ 3.85Å
384	S	84.5	Confident	87.5	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.227	C	C	.	.			trans	-51.2	137.5	175.5	-77.2	0	0	0	0	112	I380 T381 K484 D529	I380-S384 PolarHBondContact N-OG 2.88Å; T381-S384 PolarHBondContact N-OG 3.26Å; T381-S384 PolarHBondContact O-N 3.41Å; T381-S384 PolarHBondContact O-OG 2.67Å; T381-S384 PolarHBondContact OG1-N 3.47Å; T381-S384 PolarHBondContact OG1-OG 2.62Å; T381-S384 VanDerWaalsContact OG1-OG 3.13Å; S384-K484 WeakPolarHBondContact O-CE 3.39Å; S384-K484 PolarHBondContact O-NZ 2.69Å; S384-D529 WeakPolarHBondContact CA-OD1 3.26Å; S384-D529 WeakPolarHBondContact CA-OD2 3.44Å; S384-D529 WeakPolarHBondContact CB-OD2 3.19Å; S384-D529 PolarHBondContact OG-OD1 3.41Å; S384-D529 VanDerWaalsContact OG-OD1 3.07Å; S384-D529 PolarHBondContact OG-OD2 2.99Å
385	P	79.2	Confident	87.1	Confident	28 Å²	28	40.6 Å²	40.6	18%	0.182	23%	0.227	C	C	.	.			trans	-54.2	155.7	172.1	-23.4	33.7	0	0	0	111.8	N387 V520 F527 D529	P385-N387 PolarHBondContact O-N 3.23Å; P385-V520 HydrophobicContact CB-CG2 4.46Å; P385-V520 HydrophobicContact CG-CG2 4.11Å; P385-F527 WeakPolarHBondContact CG-O 3.48Å; P385-D529 WeakPolarHBondContact CD-OD2 3.47Å
386	N	81.1	Confident	86.7	Confident	62 Å²	62	45.2 Å²	45.2	33%	0.332	25%	0.248	S	C	.	.			trans	-55.6	113.3	173.5	-161.6	58.3	0	0	0	110.3	D377 N515	D377-N386 WeakPolarHBondContact OD2-CA 3.2Å; D377-N386 PolarHBondContact OD2-OD1 3.11Å; N386-N515 WeakPolarHBondContact CB-ND2 3.37Å
387	N	86.2	Confident	86.3	Confident	92 Å²	92	46.1 Å²	46.1	49%	0.492	26%	0.255	S	S	.	.			trans	-130.9	77.8	179.3	-173.7	34.4	0	0	0	109.3	D377 S378 P385 S389	D377-N387 PolarHBondContact OD1-N 2.87Å; D377-N387 PolarHBondContact OD2-N 2.73Å; S378-N387 WeakPolarHBondContact CB-ND2 3.5Å; S378-N387 WeakPolarHBondContact CB-O 3.45Å; S378-N387 PolarHBondContact N-O 3.17Å; P385-N387 PolarHBondContact O-N 3.23Å; N387-S389 PolarHBondContact O-N 2.96Å
388	P	87.9	Confident	86	Confident	59 Å²	59	46.1 Å²	46.1	38%	0.383	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-57.3	130.7	-170.7	-25.6	34.9	0	0	0	113.1	I390	P388-I390 HydrophobicContact CB-CG1 4.47Å; P388-I390 PolarHBondContact O-N 3.34Å
389	S	89.4	Confident	85.7	Confident	11 Å²	11	44.9 Å²	44.9	8%	0.077	25%	0.245	C	C	.	.			trans	-76.7	110.7	175.3	-60.5	0	0	0	0	109.9	V376 D377 S378 N387 P391 R392	V376-S389 PolarHBondContact O-N 3.23Å; D377-S389 WeakPolarHBondContact CA-OG 3.49Å; D377-S389 PolarHBondContact N-OG 2.97Å; D377-S389 PolarHBondContact O-OG 2.71Å; S378-S389 PolarHBondContact N-OG 3.45Å; S378-S389 VanDerWaalsContact N-OG 3.14Å; S378-S389 PolarHBondContact OG-OG 3.03Å; N387-S389 PolarHBondContact O-N 2.96Å; S389-P391 CarbonylContact C-O 3.55Å; S389-P391 CarbonylContact O-C 3.55Å; S389-P391 VanDerWaalsContact O-C 3.31Å; S389-R392 PolarHBondContact O-N 2.89Å
390	I	83	Confident	85.3	Confident	154 Å²	154	44.7 Å²	44.7	79%	0.79	24%	0.243	S	C	*	.	S	Bend	trans	-124.1	117.2	-179.8	-58.5	175.5	0	0	0	110	P388	P388-I390 HydrophobicContact CB-CG1 4.47Å; P388-I390 PolarHBondContact O-N 3.34Å
391	P	87	Confident	84.8	Confident	113 Å²	113	48.1 Å²	48.1	73%	0.734	26%	0.257	S	S	*	.	S	Bend	cis	-68.2	170	-8.5	32.7	-36.3	0	0	0	111.9	S389 E393	S389-P391 CarbonylContact C-O 3.55Å; S389-P391 CarbonylContact O-C 3.55Å; S389-P391 VanDerWaalsContact O-C 3.31Å; P391-E393 PolarHBondContact O-N 3.02Å
392	R	90	Very high	84.4	Confident	72 Å²	72	49.9 Å²	49.9	27%	0.272	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-58.1	137.4	174.4	-62.6	-179	-173.3	170.3	8.7	110.2	Y256 A257 S258 D259 G375 V376 S389	Y256-R392 WeakPolarHBondContact CE1-O 3.41Å; A257-R392 PolarHBondContact O-NH1 2.99Å; S258-R392 VanDerWaalsContact C-NH1 3.32Å; S258-R392 PolarHBondContact O-NH1 3.28Å; D259-R392 IonicContact OD1-CZ 2.67Å; D259-R392 VanDerWaalsContact OD1-CZ 3.25Å; D259-R392 IonicContact OD1-NH1 3.71Å; D259-R392 PolarHBondContact OD1-NH1 3.43Å; D259-R392 IonicContact OD1-NH2 3.05Å; D259-R392 PolarHBondContact OD1-NH2 3.19Å; G375-R392 CarbonylContact O-C 3.36Å; G375-R392 VanDerWaalsContact O-CA 3.31Å; G375-R392 WeakPolarHBondContact O-CA 3.43Å; V376-R392 HydrophobicContact CG1-CG 4.21Å; S389-R392 PolarHBondContact O-N 2.89Å
393	E	89.8	Confident	84	Confident	84 Å²	84	51.6 Å²	51.6	39%	0.393	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-84.7	157.8	172.6	-61.1	-160.7	179.6	0	0	111.4	G375 P391 K396	G375-E393 PolarHBondContact O-N 3.01Å; P391-E393 PolarHBondContact O-N 3.02Å; E393-K396 IonicContact OE2-NZ 3.19Å; E393-K396 PolarHBondContact OE2-NZ 2.59Å
394	P	88.2	Confident	84.1	Confident	38 Å²	38	55 Å²	55	25%	0.247	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-62.7	145.4	169.3	-21.1	32.6	0	0	0	111.7	G255 Y256 K396	G255-P394 CarbonylContact O-C 3.34Å; G255-P394 WeakPolarHBondContact O-CA 3.01Å; Y256-P394 HydrophobicContact CE1-CG 3.83Å; P394-K396 WeakPolarHBondContact O-CG 3.41Å; P394-K396 PolarHBondContact O-N 3.03Å
395	I	87.6	Confident	84.1	Confident	3 Å²	3	56.7 Å²	56.7	2%	0.015	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-62.3	121.4	176	-63.6	173.6	0	0	0	109.5	W251 G254 G255 F372 D373	W251-I395 HydrophobicContact CB-CD1 4.18Å; G254-I395 PolarHBondContact N-O 2.68Å; G255-I395 WeakPolarHBondContact O-CG1 3.45Å; G255-I395 PolarHBondContact O-N 2.66Å; F372-I395 HydrophobicContact CB-CG2 4.49Å; F372-I395 HydrophobicContact CD2-CG2 3.47Å; F372-I395 VanDerWaalsContact CD2-CG2 3.47Å; F372-I395 HydrophobicContact CE2-CG2 3.9Å; F372-I395 HydrophobicContact CG-CG2 4.23Å; D373-I395 WeakPolarHBondContact O-CA 3.33Å
396	K	83.5	Confident	84.2	Confident	97 Å²	97	59 Å²	59	42%	0.422	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	140.4	-175	-69.8	160.5	-162.9	168.2	0	110.7	F372 D373 E393 P394	F372-K396 CarbonylContact C-O 3.26Å; F372-K396 VanDerWaalsContact CA-O 3.32Å; F372-K396 WeakPolarHBondContact CA-O 3.3Å; F372-K396 WeakPolarHBondContact CB-O 3.38Å; D373-K396 PolarHBondContact N-O 3.06Å; D373-K396 PolarHBondContact O-N 3.19Å; E393-K396 IonicContact OE2-NZ 3.19Å; E393-K396 PolarHBondContact OE2-NZ 2.59Å; P394-K396 WeakPolarHBondContact O-CG 3.41Å; P394-K396 PolarHBondContact O-N 3.03Å
397	A	84.8	Confident	84.3	Confident	22 Å²	22	61.1 Å²	61.1	18%	0.182	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	136.2	172.8	0	0	0	0	0	110.9	I181 Y253	I181-A397 HydrophobicContact CB-CB 4.4Å; I181-A397 HydrophobicContact CD1-CB 3.47Å; I181-A397 VanDerWaalsContact CD1-CB 3.47Å; I181-A397 HydrophobicContact CG1-CB 3.99Å; I181-A397 HydrophobicContact CG2-CB 3.58Å; Y253-A397 HydrophobicContact CD1-CB 4.4Å; Y253-A397 HydrophobicContact CE1-CB 3.95Å
398	I	86.4	Confident	84.4	Confident	3 Å²	3	56.8 Å²	56.8	2%	0.015	32%	0.316	C	S	.	.			trans	-83.5	134	176.5	-64.9	167.9	0	0	0	108.3	W345 P371 D373 F410	W345-I398 HydrophobicContact CB-CD1 4.26Å; W345-I398 VanDerWaalsContact CD1-CD1 3.49Å; W345-I398 HydrophobicContact CD2-CD1 4.13Å; W345-I398 HydrophobicContact CG-CD1 3.69Å; P371-I398 HydrophobicContact CB-CB 4.47Å; P371-I398 HydrophobicContact CB-CD1 4.19Å; P371-I398 HydrophobicContact CG-CB 4.21Å; P371-I398 PolarHBondContact O-N 2.79Å; D373-I398 HydrophobicContact CB-CD1 4.06Å; D373-I398 HydrophobicContact CB-CG1 3.95Å; I398-F410 HydrophobicContact CD1-CE2 4.12Å; I398-F410 HydrophobicContact CG2-CB 3.93Å; I398-F410 HydrophobicContact CG2-CD1 4.35Å; I398-F410 HydrophobicContact CG2-CD2 3.38Å; I398-F410 HydrophobicContact CG2-CE2 3.89Å; I398-F410 HydrophobicContact CG2-CG 3.62Å
399	T	82.4	Confident	84.4	Confident	32 Å²	32	54.4 Å²	54.4	20%	0.196	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-130.3	172.9	178.9	66	0	0	0	0	109.8	I181 K401 S402	I181-T399 HydrophobicContact CD1-CG2 4.07Å; T399-K401 PolarHBondContact O-N 3.03Å; T399-K401 VanDerWaalsContact O-N 3.11Å; T399-K401 PolarHBondContact OG1-N 2.94Å; T399-S402 PolarHBondContact N-O 3.04Å; T399-S402 PolarHBondContact O-N 3.07Å; T399-S402 VanDerWaalsContact O-O 3.12Å; T399-S402 WeakPolarHBondContact OG1-CB 3.43Å; T399-S402 PolarHBondContact OG1-N 2.93Å; T399-S402 VanDerWaalsContact OG1-N 3.09Å
400	T	78.8	Confident	84.3	Confident	3 Å²	3	54.2 Å²	54.2	2%	0.018	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-12.3	177.7	58.5	0	0	0	0	114.2	I177 F410 Y411 N412 S415 D416 T417 L418	I177-T400 HydrophobicContact CD1-CG2 4.16Å; T400-F410 VanDerWaalsContact CA-O 3.28Å; T400-F410 WeakPolarHBondContact CA-O 3.36Å; T400-Y411 CarbonylContact O-C 3.47Å; T400-Y411 WeakPolarHBondContact O-CA 3.32Å; T400-Y411 WeakPolarHBondContact O-CD2 3.27Å; T400-N412 HydrophobicContact CG2-CB 4.09Å; T400-N412 PolarHBondContact O-N 3.33Å; T400-S415 VanDerWaalsContact CB-O 3.25Å; T400-S415 WeakPolarHBondContact CB-O 3.31Å; T400-S415 WeakPolarHBondContact CG2-O 3.41Å; T400-S415 PolarHBondContact OG1-O 2.58Å; T400-D416 WeakPolarHBondContact OG1-CA 3.45Å; T400-T417 WeakPolarHBondContact CG2-O 3.46Å; T400-L418 HydrophobicContact CG2-CB 4.34Å
401	K	78	Confident	84.4	Confident	95 Å²	95	50.1 Å²	50.1	41%	0.413	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.2	-2.9	179.7	-66.6	172.4	-179.8	157	0	113.4	T399 P403 A404 D416	T399-K401 PolarHBondContact O-N 3.03Å; T399-K401 VanDerWaalsContact O-N 3.11Å; T399-K401 PolarHBondContact OG1-N 2.94Å; K401-P403 CarbonylContact O-C 3.42Å; K401-A404 VanDerWaalsContact O-CA 3.26Å; K401-A404 WeakPolarHBondContact O-CA 3.15Å; K401-A404 WeakPolarHBondContact O-CB 3.32Å; K401-A404 PolarHBondContact O-N 3.33Å; K401-D416 VanDerWaalsContact CD-OD1 3.31Å; K401-D416 WeakPolarHBondContact CD-OD1 3.45Å; K401-D416 WeakPolarHBondContact CE-OD1 3.38Å; K401-D416 IonicContact NZ-OD1 2.65Å; K401-D416 PolarHBondContact NZ-OD1 2.85Å; K401-D416 IonicContact NZ-OD2 3.22Å; K401-D416 PolarHBondContact NZ-OD2 3.24Å
402	S	78.2	Confident	84.2	Confident	61 Å²	61	47.6 Å²	47.6	43%	0.427	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-138.6	112.7	-179.4	-175.6	0	0	0	0	109.9	T399	T399-S402 PolarHBondContact N-O 3.04Å; T399-S402 PolarHBondContact O-N 3.07Å; T399-S402 VanDerWaalsContact O-O 3.12Å; T399-S402 WeakPolarHBondContact OG1-CB 3.43Å; T399-S402 PolarHBondContact OG1-N 2.93Å; T399-S402 VanDerWaalsContact OG1-N 3.09Å
403	P	79.2	Confident	83.7	Confident	40 Å²	40	46.6 Å²	46.6	26%	0.26	26%	0.262	S	S	.	.	S	Bend	cis	-68.3	141.9	3.1	26	-32.9	0	0	0	112.9	I380 K401 D405	I380-P403 HydrophobicContact CD1-CB 3.76Å; I380-P403 HydrophobicContact CD1-CG 3.28Å; K401-P403 CarbonylContact O-C 3.42Å; P403-D405 PolarHBondContact O-N 2.85Å
404	A	80.8	Confident	83.2	Confident	85 Å²	85	50.2 Å²	50.2	70%	0.702	28%	0.284	S	S	*	.			trans	-77.1	47.2	-179.8	0	0	0	0	0	112	K401	K401-A404 VanDerWaalsContact O-CA 3.26Å; K401-A404 WeakPolarHBondContact O-CA 3.15Å; K401-A404 WeakPolarHBondContact O-CB 3.32Å; K401-A404 PolarHBondContact O-N 3.33Å
405	D	83.6	Confident	82.6	Confident	36 Å²	36	49.9 Å²	49.9	19%	0.193	28%	0.282	C	S	.	.			trans	-116.9	120.3	-178.1	-166.6	-45.1	0	0	0	109.5	I380 P403 R407 S408 Y411	I380-D405 HydrophobicContact CD1-CB 3.91Å; I380-D405 HydrophobicContact CG1-CB 3.83Å; P403-D405 PolarHBondContact O-N 2.85Å; D405-R407 PolarHBondContact O-N 3.26Å; D405-R407 VanDerWaalsContact OD1-CB 3.24Å; D405-R407 WeakPolarHBondContact OD1-CB 3.33Å; D405-R407 WeakPolarHBondContact OD1-CG 3.12Å; D405-R407 IonicContact OD1-CZ 3.88Å; D405-R407 PolarHBondContact OD1-N 3.38Å; D405-R407 IonicContact OD1-NE 3.27Å; D405-R407 PolarHBondContact OD1-NE 2.77Å; D405-R407 IonicContact OD2-CZ 3.1Å; D405-R407 IonicContact OD2-NE 3.66Å; D405-R407 PolarHBondContact OD2-NE 3.14Å; D405-R407 IonicContact OD2-NH2 2.96Å; D405-R407 PolarHBondContact OD2-NH2 2.82Å; D405-S408 WeakPolarHBondContact O-CB 3.38Å; D405-S408 PolarHBondContact O-N 3.23Å; D405-Y411 WeakPolarHBondContact O-CB 3.29Å
406	P	82.5	Confident	81.7	Confident	77 Å²	77	53.7 Å²	53.7	50%	0.5	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-15.3	175.9	-25.9	35.2	0	0	0	114.6	R225 S408 Y411	R225-P406 PolarHBondContact NH2-O 3.05Å; P406-S408 VanDerWaalsContact C-N 3.3Å; P406-Y411 HydrophobicContact CB-CD1 4.31Å; P406-Y411 HydrophobicContact CB-CE1 4.34Å; P406-Y411 HydrophobicContact CG-CE1 4.19Å
407	R	82.9	Confident	81	Confident	107 Å²	107	52 Å²	52	40%	0.404	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-15.2	174.5	-59.7	173.2	-66.7	165.7	2.3	112.9	I380 T381 D405	I380-R407 HydrophobicContact CG2-CB 4Å; T381-R407 HydrophobicContact CG2-CB 4.4Å; D405-R407 PolarHBondContact O-N 3.26Å; D405-R407 VanDerWaalsContact OD1-CB 3.24Å; D405-R407 WeakPolarHBondContact OD1-CB 3.33Å; D405-R407 WeakPolarHBondContact OD1-CG 3.12Å; D405-R407 IonicContact OD1-CZ 3.88Å; D405-R407 PolarHBondContact OD1-N 3.38Å; D405-R407 IonicContact OD1-NE 3.27Å; D405-R407 PolarHBondContact OD1-NE 2.77Å; D405-R407 IonicContact OD2-CZ 3.1Å; D405-R407 IonicContact OD2-NE 3.66Å; D405-R407 PolarHBondContact OD2-NE 3.14Å; D405-R407 IonicContact OD2-NH2 2.96Å; D405-R407 PolarHBondContact OD2-NH2 2.82Å
408	S	88.1	Confident	80.4	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.296	C	S	.	.	S	Bend	trans	-64.1	129.2	175.9	172.5	0	0	0	0	110	R225 I380 D405 P406 F410 Y411	R225-S408 PolarHBondContact NH1-O 3.4Å; I380-S408 WeakPolarHBondContact O-CA 3.32Å; D405-S408 WeakPolarHBondContact O-CB 3.38Å; D405-S408 PolarHBondContact O-N 3.23Å; P406-S408 VanDerWaalsContact C-N 3.3Å; S408-F410 PolarHBondContact O-N 3Å; S408-F410 WeakPolarHBondContact OG-CD2 3.15Å; S408-F410 PolarHBondContact OG-N 2.81Å; S408-Y411 PolarHBondContact O-N 2.83Å
409	P	88.3	Confident	80.1	Confident	10 Å²	10	54.3 Å²	54.3	7%	0.065	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-22.7	175.4	-24.3	33.6	0	0	0	113.3	R225 D226 W345 I380 Y382	R225-P409 WeakPolarHBondContact CD-O 3.39Å; D226-P409 HydrophobicContact CB-CB 4.25Å; D226-P409 HydrophobicContact CB-CG 4.23Å; W345-P409 HydrophobicContact CH2-CG 3.93Å; W345-P409 HydrophobicContact CZ3-CG 4.1Å; I380-P409 WeakPolarHBondContact O-CD 3.48Å; Y382-P409 HydrophobicContact CD2-CB 3.93Å; Y382-P409 HydrophobicContact CD2-CG 3.54Å; Y382-P409 HydrophobicContact CE2-CB 3.41Å; Y382-P409 VanDerWaalsContact CE2-CB 3.41Å; Y382-P409 HydrophobicContact CE2-CG 3.56Å; Y382-P409 HydrophobicContact CG-CG 4.21Å
410	F	87.6	Confident	80.2	Confident	7 Å²	7	54.2 Å²	54.2	3%	0.031	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-16.2	-177.3	-45.6	-74.3	0	0	0	112.9	W345 P371 Y382 I398 T400 S408 N412 L418 F421	W345-F410 AromaticContact CD2-CE2 3.78Å; W345-F410 HydrophobicContact CD2-CE2 3.78Å; W345-F410 HydrophobicContact CD2-CZ 4.04Å; W345-F410 AromaticContact CE2-CE2 3.94Å; W345-F410 AromaticContact CE3-CE2 3.47Å; W345-F410 HydrophobicContact CE3-CE2 3.47Å; W345-F410 VanDerWaalsContact CE3-CE2 3.47Å; W345-F410 AromaticContact CE3-CZ 3.45Å; W345-F410 HydrophobicContact CE3-CZ 3.45Å; W345-F410 VanDerWaalsContact CE3-CZ 3.45Å; W345-F410 HydrophobicContact CH2-CD2 4.4Å; W345-F410 AromaticContact CH2-CE2 3.55Å; W345-F410 HydrophobicContact CH2-CE2 3.55Å; W345-F410 HydrophobicContact CH2-CZ 4.24Å; W345-F410 AromaticContact CZ2-CE2 3.85Å; W345-F410 HydrophobicContact CZ2-CE2 3.85Å; W345-F410 HydrophobicContact CZ3-CD2 4.48Å; W345-F410 AromaticContact CZ3-CE2 3.33Å; W345-F410 HydrophobicContact CZ3-CE2 3.33Å; W345-F410 AromaticContact CZ3-CZ 3.55Å; W345-F410 HydrophobicContact CZ3-CZ 3.55Å; P371-F410 HydrophobicContact CB-CE1 4.46Å; P371-F410 HydrophobicContact CB-CZ 4.42Å; P371-F410 HydrophobicContact CG-CD1 4.32Å; P371-F410 HydrophobicContact CG-CE1 3.87Å; P371-F410 HydrophobicContact CG-CZ 4.25Å; Y382-F410 HydrophobicContact CE1-CZ 4.25Å; I398-F410 HydrophobicContact CD1-CE2 4.12Å; I398-F410 HydrophobicContact CG2-CB 3.93Å; I398-F410 HydrophobicContact CG2-CD1 4.35Å; I398-F410 HydrophobicContact CG2-CD2 3.38Å; I398-F410 HydrophobicContact CG2-CE2 3.89Å; I398-F410 HydrophobicContact CG2-CG 3.62Å; T400-F410 VanDerWaalsContact CA-O 3.28Å; T400-F410 WeakPolarHBondContact CA-O 3.36Å; S408-F410 PolarHBondContact O-N 3Å; S408-F410 WeakPolarHBondContact OG-CD2 3.15Å; S408-F410 PolarHBondContact OG-N 2.81Å; F410-N412 PolarHBondContact O-N 3.2Å; F410-L418 HydrophobicContact CD1-CD1 4.19Å; F410-L418 HydrophobicContact CD1-CD2 4.48Å; F410-F421 HydrophobicContact CD1-CE2 4.35Å; F410-F421 HydrophobicContact CD1-CZ 4.28Å; F410-F421 HydrophobicContact CE1-CE1 4.43Å; F410-F421 AromaticContact CE1-CE2 3.85Å; F410-F421 HydrophobicContact CE1-CE2 3.85Å; F410-F421 AromaticContact CE1-CZ 3.51Å; F410-F421 HydrophobicContact CE1-CZ 3.51Å; F410-F421 HydrophobicContact CZ-CZ 4.47Å
411	Y	85.6	Confident	80.7	Confident	68 Å²	68	54.1 Å²	54.1	27%	0.267	31%	0.312	S	S	.	.			trans	-64.6	129.7	-170.5	176.6	-89.3	0	0	0	111.3	R225 T400 D405 P406 S408 A413	R225-Y411 PolarHBondContact NH1-O 3.36Å; T400-Y411 CarbonylContact O-C 3.47Å; T400-Y411 WeakPolarHBondContact O-CA 3.32Å; T400-Y411 WeakPolarHBondContact O-CD2 3.27Å; D405-Y411 WeakPolarHBondContact O-CB 3.29Å; P406-Y411 HydrophobicContact CB-CD1 4.31Å; P406-Y411 HydrophobicContact CB-CE1 4.34Å; P406-Y411 HydrophobicContact CG-CE1 4.19Å; S408-Y411 PolarHBondContact O-N 2.83Å; Y411-A413 HydrophobicContact CE1-CB 4.26Å
412	N	82	Confident	81.3	Confident	59 Å²	59	49.6 Å²	49.6	32%	0.316	29%	0.292	S	S	.	.			trans	-148.2	113.4	173.3	-171.6	-19.6	0	0	0	107.8	T400 F410 D414 S415	T400-N412 HydrophobicContact CG2-CB 4.09Å; T400-N412 PolarHBondContact O-N 3.33Å; F410-N412 PolarHBondContact O-N 3.2Å; N412-D414 VanDerWaalsContact C-N 3.34Å; N412-D414 PolarHBondContact OD1-N 3.03Å; N412-S415 VanDerWaalsContact O-O 3.14Å; N412-S415 PolarHBondContact OD1-N 3.47Å
413	A	80.1	Confident	81.8	Confident	52 Å²	52	49.5 Å²	49.5	43%	0.43	28%	0.284	S	S	.	.	S	Bend	trans	-72.2	-31.8	-178.7	0	0	0	0	0	112.1	Y411	Y411-A413 HydrophobicContact CE1-CB 4.26Å
414	D	77.8	Confident	82.4	Confident	160 Å²	160	47.7 Å²	47.7	86%	0.856	27%	0.272	S	S	*	.	S	Bend	trans	-88.7	-25.2	-170.4	-56.9	-44	0	0	0	112.6	N412	N412-D414 VanDerWaalsContact C-N 3.34Å; N412-D414 PolarHBondContact OD1-N 3.03Å
415	S	75.6	Confident	82.9	Confident	30 Å²	30	44.2 Å²	44.2	21%	0.21	24%	0.242	C	C	.	.			trans	-127.7	139.8	-178.4	-170.1	0	0	0	0	113.1	T400 N412 T417	T400-S415 VanDerWaalsContact CB-O 3.25Å; T400-S415 WeakPolarHBondContact CB-O 3.31Å; T400-S415 WeakPolarHBondContact CG2-O 3.41Å; T400-S415 PolarHBondContact OG1-O 2.58Å; N412-S415 VanDerWaalsContact O-O 3.14Å; N412-S415 PolarHBondContact OD1-N 3.47Å; S415-T417 VanDerWaalsContact C-N 3.33Å; S415-T417 PolarHBondContact OG-N 2.96Å; S415-T417 PolarHBondContact OG-OG1 3.03Å
416	D	69.3	Low	83.4	Confident	84 Å²	84	42.5 Å²	42.5	45%	0.449	23%	0.233	S	C	.	.			trans	-95.7	15.1	168.5	-67.6	-40.3	0	0	0	112.2	I177 T400 K401	I177-D416 WeakPolarHBondContact CD1-O 3.47Å; I177-D416 WeakPolarHBondContact CG1-O 3.47Å; T400-D416 WeakPolarHBondContact OG1-CA 3.45Å; K401-D416 VanDerWaalsContact CD-OD1 3.31Å; K401-D416 WeakPolarHBondContact CD-OD1 3.45Å; K401-D416 WeakPolarHBondContact CE-OD1 3.38Å; K401-D416 IonicContact NZ-OD1 2.65Å; K401-D416 PolarHBondContact NZ-OD1 2.85Å; K401-D416 IonicContact NZ-OD2 3.22Å; K401-D416 PolarHBondContact NZ-OD2 3.24Å
417	T	69	Low	84	Confident	62 Å²	62	45.6 Å²	45.6	38%	0.38	24%	0.235	S	C	.	.			trans	-100.6	133.7	177.6	67.3	0	0	0	0	111.3	T400 S415	T400-T417 WeakPolarHBondContact CG2-O 3.46Å; S415-T417 VanDerWaalsContact C-N 3.33Å; S415-T417 PolarHBondContact OG-N 2.96Å; S415-T417 PolarHBondContact OG-OG1 3.03Å
418	L	72.8	Confident	84.6	Confident	17 Å²	17	42.7 Å²	42.7	9%	0.089	23%	0.225	C	C	.	.			trans	-131.2	126.4	177.8	-179	66	0	0	0	106	I177 Y370 P371 T400 F410	I177-L418 HydrophobicContact CD1-CB 3.22Å; I177-L418 VanDerWaalsContact CD1-N 3.33Å; I177-L418 HydrophobicContact CG1-CB 3.93Å; Y370-L418 HydrophobicContact CD1-CD2 4.49Å; Y370-L418 VanDerWaalsContact CE1-O 3.31Å; Y370-L418 WeakPolarHBondContact CE1-O 3.44Å; P371-L418 HydrophobicContact CG-CD2 4.05Å; T400-L418 HydrophobicContact CG2-CB 4.34Å; F410-L418 HydrophobicContact CD1-CD1 4.19Å; F410-L418 HydrophobicContact CD1-CD2 4.48Å
419	P	79	Confident	84.9	Confident	55 Å²	55	47 Å²	47	36%	0.357	25%	0.248	S	C	.	.			trans	-63.2	151.6	173.6	-23.1	35.8	0	0	0	111.2	H223	H223-P419 PolarHBondContact NE2-O 2.9Å
420	P	84.8	Confident	85.2	Confident	31 Å²	31	52 Å²	52	20%	0.201	27%	0.269	C	S	.	.			trans	-73.8	144.6	176.9	31.2	-35.2	0	0	0	111.5	L217 Y368 Y370	L217-P420 HydrophobicContact CD1-CB 4.4Å; L217-P420 HydrophobicContact CD1-CG 3.95Å; Y368-P420 HydrophobicContact CD1-CB 3.84Å; Y368-P420 HydrophobicContact CD1-CG 3.64Å; Y368-P420 HydrophobicContact CE1-CG 4.35Å; Y368-P420 HydrophobicContact CG-CB 4.19Å; Y368-P420 HydrophobicContact CG-CG 4.28Å; Y370-P420 HydrophobicContact CE1-CB 4.07Å
421	F	90	Very high	85.5	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.281	C	S	.	.	S	Bend	trans	-83.9	-32.2	179.3	-87	-105.2	0	0	0	112.3	L217 W218 H223 F236 L339 V347 L369 P371 F410	L217-F421 CarbonylContact C-O 3.46Å; L217-F421 WeakPolarHBondContact CA-O 3.41Å; L217-F421 PolarHBondContact N-O 2.83Å; W218-F421 HydrophobicContact CB-CD1 3.76Å; W218-F421 HydrophobicContact CB-CE1 4.28Å; W218-F421 AromaticContact CD1-CD1 3.74Å; W218-F421 AromaticContact CD1-CE1 3.35Å; W218-F421 AromaticContact CD2-CD1 3.86Å; W218-F421 HydrophobicContact CD2-CD1 3.86Å; W218-F421 AromaticContact CD2-CE1 3.76Å; W218-F421 HydrophobicContact CD2-CE1 3.76Å; W218-F421 AromaticContact CE2-CE1 3.69Å; W218-F421 HydrophobicContact CE3-CD1 4.44Å; W218-F421 AromaticContact CG-CD1 3.52Å; W218-F421 HydrophobicContact CG-CD1 3.52Å; W218-F421 AromaticContact CG-CE1 3.57Å; W218-F421 HydrophobicContact CG-CE1 3.57Å; W218-F421 HydrophobicContact CZ2-CE1 4.45Å; W218-F421 PolarHBondContact N-O 3.48Å; W218-F421 AromaticContact NE1-CE1 3.43Å; H223-F421 AromaticContact CD2-CE2 3.3Å; H223-F421 WeakPolarHBondContact CD2-CE2 3.37Å; H223-F421 AromaticContact CD2-CZ 3.29Å; H223-F421 WeakPolarHBondContact CD2-CZ 3.41Å; H223-F421 AromaticContact CE1-CD2 3.94Å; H223-F421 AromaticContact CE1-CE2 3.85Å; H223-F421 AromaticContact CG-CZ 3.8Å; H223-F421 AromaticContact NE2-CD2 3.46Å; H223-F421 WeakPolarHBondContact NE2-CD2 3.48Å; H223-F421 AromaticContact NE2-CE2 3.06Å; H223-F421 WeakPolarHBondContact NE2-CE2 3.14Å; H223-F421 AromaticContact NE2-CZ 3.5Å; H223-F421 WeakPolarHBondContact NE2-CZ 3.42Å; F236-F421 HydrophobicContact CE1-CB 4.46Å; F236-F421 HydrophobicContact CZ-CB 4.4Å; F236-F421 VanDerWaalsContact CZ-O 3.3Å; F236-F421 WeakPolarHBondContact CZ-O 3.2Å; L339-F421 HydrophobicContact CD1-CD1 3.78Å; L339-F421 HydrophobicContact CD1-CE1 3.95Å; L339-F421 HydrophobicContact CD1-CG 4.35Å; L339-F421 HydrophobicContact CD2-CD1 3.78Å; L339-F421 HydrophobicContact CD2-CG 4.46Å; L339-F421 HydrophobicContact CG-CD1 4.47Å; V347-F421 HydrophobicContact CG1-CB 4.06Å; L369-F421 PolarHBondContact O-N 3.42Å; P371-F421 HydrophobicContact CG-CD2 4.08Å; P371-F421 HydrophobicContact CG-CE2 3.95Å; F410-F421 HydrophobicContact CD1-CE2 4.35Å; F410-F421 HydrophobicContact CD1-CZ 4.28Å; F410-F421 HydrophobicContact CE1-CE1 4.43Å; F410-F421 AromaticContact CE1-CE2 3.85Å; F410-F421 HydrophobicContact CE1-CE2 3.85Å; F410-F421 AromaticContact CE1-CZ 3.51Å; F410-F421 HydrophobicContact CE1-CZ 3.51Å; F410-F421 HydrophobicContact CZ-CZ 4.47Å
422	A	90.5	Very high	85.9	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	164.4	179.5	0	0	0	0	0	110.6	F214 D215 F236 L369	F214-A422 HydrophobicContact CD2-CB 4.48Å; F214-A422 HydrophobicContact CE1-CB 3.78Å; F214-A422 HydrophobicContact CE2-CB 3.73Å; F214-A422 HydrophobicContact CZ-CB 3.31Å; D215-A422 CarbonylContact O-C 3.59Å; D215-A422 WeakPolarHBondContact O-CA 3.43Å; D215-A422 WeakPolarHBondContact O-CB 3.17Å; F236-A422 HydrophobicContact CE1-CB 4.26Å; F236-A422 HydrophobicContact CZ-CB 4.26Å; L369-A422 HydrophobicContact CB-CB 4.24Å; L369-A422 HydrophobicContact CD1-CB 4.15Å; L369-A422 HydrophobicContact CG-CB 4.45Å; L369-A422 PolarHBondContact N-O 2.88Å
423	K	88.3	Confident	86.3	Confident	60 Å²	60	57 Å²	57	26%	0.261	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	131.1	173.9	175.3	-172.4	-179	-172.1	0	108.8	D215 L217 T366 F367 Y368	D215-K423 HydrophobicContact CB-CB 4.15Å; D215-K423 PolarHBondContact N-O 3.28Å; D215-K423 PolarHBondContact O-N 3.16Å; L217-K423 HydrophobicContact CD1-CB 3.98Å; L217-K423 HydrophobicContact CG-CB 4.48Å; T366-K423 HydrophobicContact CG2-CD 4.1Å; T366-K423 HydrophobicContact CG2-CG 3.71Å; F367-K423 CarbonylContact O-C 3.6Å; F367-K423 WeakPolarHBondContact O-CA 3.24Å; Y368-K423 HydrophobicContact CD1-CB 4.21Å; Y368-K423 HydrophobicContact CD1-CG 4.43Å; Y368-K423 HydrophobicContact CE1-CB 4.25Å; Y368-K423 HydrophobicContact CE1-CD 4.16Å; Y368-K423 HydrophobicContact CE1-CG 4.2Å
424	L	91.9	Very high	86.4	Confident	1 Å²	1	57 Å²	57	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	120.5	-177.4	-173.1	70.4	0	0	0	109	V212 I213 F214 L335 L349 T366 F367 L369 F426	V212-L424 HydrophobicContact CG2-CD1 3.42Å; V212-L424 VanDerWaalsContact CG2-CD1 3.42Å; V212-L424 HydrophobicContact CG2-CG 4.21Å; I213-L424 CarbonylContact O-C 3.47Å; I213-L424 WeakPolarHBondContact O-CA 3.43Å; F214-L424 HydrophobicContact CB-CD1 4.38Å; F214-L424 HydrophobicContact CD2-CD1 4.2Å; L335-L424 HydrophobicContact CD1-CD1 4.13Å; L335-L424 HydrophobicContact CD1-CD2 3.99Å; L335-L424 HydrophobicContact CD2-CD1 3.96Å; L335-L424 HydrophobicContact CD2-CD2 3.96Å; L335-L424 HydrophobicContact CG-CD2 4.25Å; L349-L424 HydrophobicContact CB-CD2 3.91Å; L349-L424 HydrophobicContact CD2-CD2 4.05Å; T366-L424 CarbonylContact C-O 3.49Å; T366-L424 VanDerWaalsContact CA-O 3.28Å; T366-L424 WeakPolarHBondContact CA-O 3.44Å; F367-L424 HydrophobicContact CB-CB 4.39Å; F367-L424 PolarHBondContact N-O 2.93Å; F367-L424 PolarHBondContact O-N 3.31Å; L369-L424 HydrophobicContact CD1-CB 4.08Å; L369-L424 HydrophobicContact CD2-CB 4.05Å; L369-L424 HydrophobicContact CD2-CD2 4.2Å; L369-L424 HydrophobicContact CG-CB 4.09Å; L424-F426 HydrophobicContact CD2-CE2 3.58Å; L424-F426 HydrophobicContact CD2-CZ 3.64Å; L424-F426 HydrophobicContact CG-CE2 3.88Å; L424-F426 HydrophobicContact CG-CZ 4.07Å
425	T	90.6	Very high	86.6	Confident	12 Å²	12	57.5 Å²	57.5	7%	0.074	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	123.8	180	-51.1	0	0	0	0	109.8	V212 I213 E364 K365	V212-T425 CarbonylContact C-O 3.49Å; V212-T425 WeakPolarHBondContact CA-O 3.29Å; I213-T425 PolarHBondContact N-O 2.82Å; I213-T425 PolarHBondContact O-N 2.93Å; E364-T425 HydrophobicContact CG-CG2 4.01Å; K365-T425 CarbonylContact O-C 3.59Å; K365-T425 WeakPolarHBondContact O-CA 3.45Å
426	F	94.2	Very high	86.9	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	123.2	169	-62	-82.4	0	0	0	108.5	Y210 V212 F324 V333 L335 L349 L354 E364 K365 F367 L424	Y210-F426 HydrophobicContact CD1-CB 4.29Å; V212-F426 HydrophobicContact CB-CD1 4.07Å; V212-F426 HydrophobicContact CB-CE1 4.04Å; V212-F426 HydrophobicContact CG2-CD1 4.07Å; V212-F426 HydrophobicContact CG2-CE1 3.74Å; V212-F426 HydrophobicContact CG2-CZ 4.28Å; F324-F426 AromaticContact CE1-CD1 3.89Å; F324-F426 HydrophobicContact CE1-CD1 3.89Å; F324-F426 HydrophobicContact CE1-CE1 4.13Å; F324-F426 AromaticContact CZ-CD1 3.72Å; F324-F426 HydrophobicContact CZ-CD1 3.72Å; F324-F426 AromaticContact CZ-CE1 3.94Å; F324-F426 HydrophobicContact CZ-CE1 3.94Å; V333-F426 HydrophobicContact CB-CE1 4.49Å; V333-F426 HydrophobicContact CG1-CE1 3.85Å; V333-F426 HydrophobicContact CG1-CE2 4.48Å; V333-F426 HydrophobicContact CG1-CZ 3.79Å; V333-F426 HydrophobicContact CG2-CE1 3.89Å; V333-F426 HydrophobicContact CG2-CZ 4.27Å; L335-F426 HydrophobicContact CD2-CE1 4.33Å; L335-F426 HydrophobicContact CD2-CZ 4.06Å; L349-F426 HydrophobicContact CD2-CE2 3.49Å; L349-F426 VanDerWaalsContact CD2-CE2 3.49Å; L349-F426 HydrophobicContact CD2-CZ 3.78Å; L354-F426 HydrophobicContact CD2-CB 4.24Å; L354-F426 HydrophobicContact CD2-CG 4.37Å; E364-F426 CarbonylContact C-O 3.44Å; E364-F426 VanDerWaalsContact CA-O 3.23Å; E364-F426 WeakPolarHBondContact CA-O 3.37Å; K365-F426 PolarHBondContact N-O 2.84Å; K365-F426 PolarHBondContact O-N 3.19Å; F367-F426 HydrophobicContact CD2-CD2 4.03Å; F367-F426 AromaticContact CD2-CE2 3.85Å; F367-F426 HydrophobicContact CD2-CE2 3.85Å; F367-F426 AromaticContact CE2-CD2 3.84Å; F367-F426 HydrophobicContact CE2-CD2 3.84Å; F367-F426 AromaticContact CE2-CE2 3.81Å; F367-F426 HydrophobicContact CE2-CE2 3.81Å; L424-F426 HydrophobicContact CD2-CE2 3.58Å; L424-F426 HydrophobicContact CD2-CZ 3.64Å; L424-F426 HydrophobicContact CG-CE2 3.88Å; L424-F426 HydrophobicContact CG-CZ 4.07Å
427	R	95.3	Very high	87.2	Confident	142 Å²	142	59.7 Å²	59.7	54%	0.536	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	125.2	177.4	-178.1	178.1	172.1	174.1	-0.6	109.5	Y210 E211 D429	Y210-R427 WeakPolarHBondContact CA-O 2.8Å; E211-R427 PolarHBondContact N-O 3.28Å; E211-R427 PolarHBondContact O-N 3.38Å; R427-D429 PolarHBondContact O-N 3.45Å
428	K	95.8	Very high	87.3	Confident	47 Å²	47	61.3 Å²	61.3	20%	0.204	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	121.9	175.3	-169	172.2	65.5	-169.1	0	109.2	Y210 W361 D363 V431	Y210-K428 HydrophobicContact CD1-CB 4.14Å; Y210-K428 HydrophobicContact CE1-CB 3.65Å; Y210-K428 HydrophobicContact CE1-CG 4.26Å; Y210-K428 HydrophobicContact CE2-CG 4.32Å; W361-K428 HydrophobicContact CB-CD 3.66Å; W361-K428 PolarHBondContact O-NZ 3.35Å; D363-K428 WeakPolarHBondContact O-CB 3.45Å; D363-K428 PolarHBondContact O-N 2.8Å; D363-K428 WeakPolarHBondContact OD1-CE 3.45Å; D363-K428 IonicContact OD1-NZ 2.72Å; D363-K428 PolarHBondContact OD1-NZ 2.85Å; K428-V431 HydrophobicContact CD-CG2 3.66Å; K428-V431 HydrophobicContact CG-CG2 4.27Å
429	D	94.7	Very high	87	Confident	90 Å²	90	62.9 Å²	62.9	48%	0.481	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-52.5	178.8	175.7	49.3	0	0	0	110.3	K209 M323 R427	K209-D429 WeakPolarHBondContact CD-OD2 3.38Å; K209-D429 WeakPolarHBondContact CE-OD2 3.33Å; K209-D429 HydrophobicContact CG-CB 4.4Å; K209-D429 IonicContact NZ-OD2 3.4Å; K209-D429 PolarHBondContact NZ-OD2 3.25Å; K209-D429 WeakPolarHBondContact O-CB 3.45Å; K209-D429 PolarHBondContact O-N 2.97Å; M323-D429 HydrophobicContact CE-CB 3.93Å; R427-D429 PolarHBondContact O-N 3.45Å
430	K	94.1	Very high	86.4	Confident	116 Å²	116	62.4 Å²	62.4	50%	0.504	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	145.6	-176.8	-172.7	165.8	-178.9	172	0	112.2	K209 Y432	K209-K430 PolarHBondContact N-O 3.2Å; K209-K430 PolarHBondContact O-N 3.36Å; K430-Y432 HydrophobicContact CB-CE2 4.32Å; K430-Y432 HydrophobicContact CD-CE1 4.03Å; K430-Y432 HydrophobicContact CG-CE1 4.46Å; K430-Y432 HydrophobicContact CG-CE2 4.26Å
431	V	94.8	Very high	85.6	Confident	46 Å²	46	65.6 Å²	65.6	28%	0.279	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	137.4	169.6	-177.4	0	0	0	0	109	D206 E207 A208 K428	D206-V431 HydrophobicContact CB-CG1 3.52Å; E207-V431 CarbonylContact O-C 3.59Å; E207-V431 WeakPolarHBondContact O-CA 3.28Å; A208-V431 HydrophobicContact CB-CG2 4.36Å; K428-V431 HydrophobicContact CD-CG2 3.66Å; K428-V431 HydrophobicContact CG-CG2 4.27Å
432	Y	92.3	Very high	84.4	Confident	77 Å²	77	66.6 Å²	66.6	30%	0.302	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	104.8	177.8	-62.4	-86.2	0	0	0	108.1	E207 K209 K430 S434	E207-Y432 PolarHBondContact N-O 2.59Å; E207-Y432 PolarHBondContact O-N 3.14Å; K209-Y432 HydrophobicContact CB-CE2 3.91Å; K430-Y432 HydrophobicContact CB-CE2 4.32Å; K430-Y432 HydrophobicContact CD-CE1 4.03Å; K430-Y432 HydrophobicContact CG-CE1 4.46Å; K430-Y432 HydrophobicContact CG-CE2 4.26Å; Y432-S434 PolarHBondContact O-N 3.12Å
433	P	90.6	Very high	82.9	Confident	114 Å²	114	68.3 Å²	68.3	74%	0.74	35%	0.351	S	S	*	.			trans	-56.8	131.7	179	-26	35.1	0	0	0	111.4	D206	D206-P433 VanDerWaalsContact OD1-CA 3.28Å; D206-P433 WeakPolarHBondContact OD1-CA 3.42Å
434	S	83	Confident	81.5	Confident	54 Å²	54	69.3 Å²	69.3	38%	0.378	36%	0.359	S	S	.	.			trans	-143.1	152.5	176.7	-148.9	0	0	0	0	111.2	D206 Y432	D206-S434 PolarHBondContact OD1-N 3.33Å; D206-S434 VanDerWaalsContact OD1-N 3.15Å; Y432-S434 PolarHBondContact O-N 3.12Å
435	E	82.3	Confident	79.8	Confident	169 Å²	169	71.5 Å²	71.5	79%	0.79	38%	0.377	S	S	*	.			trans	-70.1	149.2	173.3	-65.9	-178.4	179.9	0	0	110.3	K437	E435-K437 PolarHBondContact O-N 2.89Å
436	C	81.6	Confident	78	Confident	88 Å²	88	72.5 Å²	72.5	60%	0.595	39%	0.385	S	S	*	.			trans	-67.4	102.5	178	-57.1	0	0	0	0	110	C205	C205-C436 HydrophobicContact CB-CB 3.88Å; C205-C436 WeakPolarHBondContact CB-SG 3.22Å; C205-C436 VanDerWaalsContact SG-CA 3.52Å; C205-C436 WeakPolarHBondContact SG-CB 3.24Å; C205-C436 CovalentContact SG-SG 2.02Å; C205-C436 PolarHBondContact SG-SG 3Å
437	K	75.1	Confident	75.8	Confident	72 Å²	72	81.9 Å²	81.9	31%	0.313	42%	0.42	S	S	.	.			trans	-80.9	149.2	171.8	-59	-178	-173.6	172.4	0	109.5	R328 E435 E441 Y442	R328-K437 PolarHBondContact NH1-O 2.85Å; E435-K437 PolarHBondContact O-N 2.89Å; K437-E441 HydrophobicContact CB-CB 3.89Å; K437-E441 WeakPolarHBondContact CB-OE2 3.29Å; K437-E441 HydrophobicContact CD-CB 4.41Å; K437-E441 WeakPolarHBondContact CG-OE2 3.37Å; K437-Y442 HydrophobicContact CB-CD2 4.04Å; K437-Y442 HydrophobicContact CB-CE2 3.57Å; K437-Y442 HydrophobicContact CD-CE1 4.43Å; K437-Y442 WeakPolarHBondContact O-CE2 3.32Å
438	D	72.4	Confident	73.6	Confident	96 Å²	96	79.3 Å²	79.3	51%	0.513	43%	0.429	S	S	.	.			trans	-65.4	150.1	166	-166.7	-1	0	0	0	108.8	S440 E441 Y442	D438-S440 PolarHBondContact O-N 3.21Å; D438-S440 VanDerWaalsContact O-N 3.1Å; D438-S440 PolarHBondContact OD2-OG 3.31Å; D438-E441 WeakPolarHBondContact O-CB 3.5Å; D438-E441 PolarHBondContact O-N 2.68Å; D438-Y442 WeakPolarHBondContact O-CD2 3.16Å; D438-Y442 PolarHBondContact O-N 2.95Å
439	S	66.1	Low	71.4	Confident	51 Å²	51	80 Å²	80	36%	0.357	44%	0.44	S	S	.	.	H	α-helix	trans	-41.9	-45.3	170.6	58	0	0	0	0	111.2	E441 Y442 L443	S439-E441 VanDerWaalsContact C-N 3.3Å; S439-E441 PolarHBondContact O-N 3.25Å; S439-Y442 PolarHBondContact O-N 3.41Å; S439-L443 WeakPolarHBondContact O-CD2 3.43Å; S439-L443 WeakPolarHBondContact O-CG 3.45Å; S439-L443 PolarHBondContact O-N 2.8Å
440	S	64.8	Low	69.2	Low	44 Å²	44	81.4 Å²	81.4	31%	0.308	45%	0.452	S	S	.	.	H	α-helix	trans	-57.6	-32.3	177.7	60	0	0	0	0	115.1	D438 L443 L444	D438-S440 PolarHBondContact O-N 3.21Å; D438-S440 VanDerWaalsContact O-N 3.1Å; D438-S440 PolarHBondContact OD2-OG 3.31Å; S440-L443 WeakPolarHBondContact O-CB 3.48Å; S440-L443 PolarHBondContact O-N 3.1Å; S440-L444 WeakPolarHBondContact O-CG 3.36Å; S440-L444 PolarHBondContact O-N 3.04Å; S440-L444 VanDerWaalsContact O-N 3.13Å
441	E	68.5	Low	67.1	Low	98 Å²	98	78.6 Å²	78.6	46%	0.458	46%	0.456	S	S	.	.	H	α-helix	trans	-77.8	-33.3	-179.4	-79.4	-176.4	-165.1	0	0	112.8	K437 D438 S439 L443 L444 A445	K437-E441 HydrophobicContact CB-CB 3.89Å; K437-E441 WeakPolarHBondContact CB-OE2 3.29Å; K437-E441 HydrophobicContact CD-CB 4.41Å; K437-E441 WeakPolarHBondContact CG-OE2 3.37Å; D438-E441 WeakPolarHBondContact O-CB 3.5Å; D438-E441 PolarHBondContact O-N 2.68Å; S439-E441 VanDerWaalsContact C-N 3.3Å; S439-E441 PolarHBondContact O-N 3.25Å; E441-L443 PolarHBondContact O-N 3.17Å; E441-L444 PolarHBondContact O-N 2.88Å; E441-L444 VanDerWaalsContact O-N 3.16Å; E441-A445 PolarHBondContact O-N 3.21Å
442	Y	64.4	Low	65.4	Low	21 Å²	21	84.1 Å²	84.1	8%	0.082	48%	0.479	C	S	.	.	H	α-helix	trans	-60.7	-36.7	169	-66.7	-82.4	0	0	0	110.3	D327 R328 K437 D438 S439 A445 S446	D327-Y442 HydrophobicContact CB-CE1 4.18Å; R328-Y442 HydrophobicContact CB-CE2 4.04Å; K437-Y442 HydrophobicContact CB-CD2 4.04Å; K437-Y442 HydrophobicContact CB-CE2 3.57Å; K437-Y442 HydrophobicContact CD-CE1 4.43Å; K437-Y442 WeakPolarHBondContact O-CE2 3.32Å; D438-Y442 WeakPolarHBondContact O-CD2 3.16Å; D438-Y442 PolarHBondContact O-N 2.95Å; S439-Y442 PolarHBondContact O-N 3.41Å; Y442-A445 PolarHBondContact O-N 2.82Å; Y442-S446 PolarHBondContact O-N 3.01Å
443	L	59.6	Low	64.2	Low	36 Å²	36	81.2 Å²	81.2	19%	0.188	47%	0.469	C	S	.	.	H	α-helix	trans	-65	-38.7	174.8	-31.5	-179.6	0	0	0	111.8	A299 Y329 S439 S440 E441	A299-L443 HydrophobicContact CB-CB 3.42Å; A299-L443 VanDerWaalsContact CB-CB 3.42Å; A299-L443 HydrophobicContact CB-CD1 4.04Å; A299-L443 HydrophobicContact CB-CD2 3.04Å; A299-L443 HydrophobicContact CB-CG 3.53Å; Y329-L443 HydrophobicContact CD1-CD2 4.41Å; Y329-L443 HydrophobicContact CD2-CD2 4.41Å; Y329-L443 HydrophobicContact CE1-CD2 3.97Å; Y329-L443 HydrophobicContact CE2-CD2 3.96Å; S439-L443 WeakPolarHBondContact O-CD2 3.43Å; S439-L443 WeakPolarHBondContact O-CG 3.45Å; S439-L443 PolarHBondContact O-N 2.8Å; S440-L443 WeakPolarHBondContact O-CB 3.48Å; S440-L443 PolarHBondContact O-N 3.1Å; E441-L443 PolarHBondContact O-N 3.17Å
444	L	59.4	Low	63.6	Low	82 Å²	82	77.7 Å²	77.7	43%	0.429	44%	0.443	S	S	.	.	H	α-helix	trans	-72.2	-36.8	177.6	-72.9	166.5	0	0	0	112.5	S440 E441 S446 R447 A448	S440-L444 WeakPolarHBondContact O-CG 3.36Å; S440-L444 PolarHBondContact O-N 3.04Å; S440-L444 VanDerWaalsContact O-N 3.13Å; E441-L444 PolarHBondContact O-N 2.88Å; E441-L444 VanDerWaalsContact O-N 3.16Å; L444-S446 VanDerWaalsContact C-N 3.27Å; L444-S446 PolarHBondContact O-N 3.37Å; L444-R447 WeakPolarHBondContact O-CB 3.26Å; L444-R447 PolarHBondContact O-N 3.39Å; L444-A448 PolarHBondContact O-N 3.2Å
445	A	56.4	Low	63.7	Low	47 Å²	47	75.3 Å²	75.3	39%	0.388	43%	0.426	S	S	.	.	H	α-helix	trans	-60.6	-36.8	178.4	0	0	0	0	0	111.9	E441 Y442 R447 A448 S449	E441-A445 PolarHBondContact O-N 3.21Å; Y442-A445 PolarHBondContact O-N 2.82Å; A445-R447 PolarHBondContact O-N 2.88Å; A445-A448 PolarHBondContact O-N 3.33Å; A445-A448 VanDerWaalsContact O-N 3.11Å; A445-S449 PolarHBondContact O-N 3.16Å
446	S	52.6	Low	63.8	Low	33 Å²	33	67.3 Å²	67.3	23%	0.231	39%	0.389	C	S	.	.	H	α-helix	trans	-62	-25.2	173.5	-66.1	0	0	0	0	113.9	S300 Y442 L444 S449	S300-S446 WeakPolarHBondContact CB-OG 3.26Å; Y442-S446 PolarHBondContact O-N 3.01Å; L444-S446 VanDerWaalsContact C-N 3.27Å; L444-S446 PolarHBondContact O-N 3.37Å; S446-S449 VanDerWaalsContact O-O 3.12Å; S446-S449 PolarHBondContact O-OG 2.93Å
447	R	47.8	Very low	63.9	Low	196 Å²	196	64.2 Å²	64.2	74%	0.74	37%	0.366	S	S	*	.	H	α-helix	trans	-76.9	-33.7	173.9	-172.3	-173.7	-101.8	179.9	-5.5	112.2	L444 A445	L444-R447 WeakPolarHBondContact O-CB 3.26Å; L444-R447 PolarHBondContact O-N 3.39Å; A445-R447 PolarHBondContact O-N 2.88Å
448	A	48.5	Very low	64.2	Low	89 Å²	89	63.5 Å²	63.5	74%	0.736	37%	0.365	S	S	*	.	H	α-helix	trans	-78.1	-32.6	-175.9	0	0	0	0	0	112.6	L444 A445 T450	L444-A448 PolarHBondContact O-N 3.2Å; A445-A448 PolarHBondContact O-N 3.33Å; A445-A448 VanDerWaalsContact O-N 3.11Å; A448-T450 PolarHBondContact O-N 3.23Å
449	S	49.4	Very low	64.6	Low	60 Å²	60	60 Å²	60	42%	0.42	35%	0.346	S	S	.	.	S	Bend	trans	-67.4	123.8	160.2	55.7	0	0	0	0	107.4	A445 S446 G451	A445-S449 PolarHBondContact O-N 3.16Å; S446-S449 VanDerWaalsContact O-O 3.12Å; S446-S449 PolarHBondContact O-OG 2.93Å; S449-G451 WeakPolarHBondContact O-CA 3.08Å; S449-G451 PolarHBondContact O-N 3.27Å
450	T	49.6	Very low	65.2	Low	120 Å²	120	61.2 Å²	61.2	74%	0.736	35%	0.346	S	S	*	.			trans	-37.3	114.4	157.8	46.6	0	0	0	0	106.9	A448 E452	A448-T450 PolarHBondContact O-N 3.23Å; T450-E452 PolarHBondContact O-N 2.62Å
451	G	49.9	Very low	65.8	Low	58 Å²	58	59.7 Å²	59.7	60%	0.598	33%	0.334	S	S	*	.	S	Bend	trans	-62.6	34.3	-155.2	0	0	0	0	0	118.1	S449	S449-G451 WeakPolarHBondContact O-CA 3.08Å; S449-G451 PolarHBondContact O-N 3.27Å
452	E	59.6	Low	65.9	Low	161 Å²	161	61.1 Å²	61.1	75%	0.752	34%	0.339	S	S	*	.			trans	-88.4	103.3	172.6	-61.6	-176.6	175.2	0	0	108.2	T450 E454	T450-E452 PolarHBondContact O-N 2.62Å; E452-E454 PolarHBondContact O-N 3.02Å
453	T	67.1	Low	66.2	Low	16 Å²	16	63.8 Å²	63.8	10%	0.098	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-50.5	124.8	162.3	18.4	0	0	0	0	110.1	V281 V302 T455	V281-T453 HydrophobicContact CB-CG2 4.44Å; V281-T453 HydrophobicContact CG1-CG2 4.14Å; V281-T453 HydrophobicContact CG2-CG2 3.42Å; V281-T453 VanDerWaalsContact CG2-CG2 3.42Å; V302-T453 HydrophobicContact CB-CG2 4.4Å; V302-T453 HydrophobicContact CG1-CG2 4.19Å; V302-T453 WeakPolarHBondContact O-CG2 3.45Å; T453-T455 PolarHBondContact O-N 3.07Å
454	E	78	Confident	67.1	Low	40 Å²	40	65.6 Å²	65.6	19%	0.187	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	129.4	177.4	-62.2	-179	139.5	0	0	109.6	R303 T304 I305 R325 E452 L459 K462	R303-E454 IonicContact NH1-OE2 3.62Å; R303-E454 PolarHBondContact NH1-OE2 3.49Å; T304-E454 WeakPolarHBondContact CA-O 3.03Å; T304-E454 WeakPolarHBondContact CG2-O 3.36Å; I305-E454 PolarHBondContact N-O 3.23Å; R325-E454 IonicContact NH1-OE1 3.21Å; R325-E454 IonicContact NH1-OE2 2.61Å; R325-E454 PolarHBondContact NH1-OE2 3.13Å; E452-E454 PolarHBondContact O-N 3.02Å; E454-L459 HydrophobicContact CB-CD2 4.34Å; E454-L459 HydrophobicContact CB-CG 4.29Å; E454-L459 WeakPolarHBondContact OE2-CD2 3.16Å; E454-K462 IonicContact OE1-NZ 2.71Å; E454-K462 PolarHBondContact OE1-NZ 3.03Å
455	T	85.3	Confident	68	Low	5 Å²	5	70.2 Å²	70.2	3%	0.031	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	161	168.2	69.8	0	0	0	0	110.7	I305 T453 E457 D458 L459	I305-T455 HydrophobicContact CB-CG2 4.3Å; I305-T455 CarbonylContact O-C 3.56Å; I305-T455 WeakPolarHBondContact O-CA 3.32Å; T453-T455 PolarHBondContact O-N 3.07Å; T455-E457 PolarHBondContact O-N 3.17Å; T455-D458 WeakPolarHBondContact CB-OD2 3.41Å; T455-D458 PolarHBondContact N-OD2 2.82Å; T455-D458 PolarHBondContact O-N 3.45Å; T455-D458 PolarHBondContact OG1-N 3.36Å; T455-D458 PolarHBondContact OG1-OD2 3.43Å; T455-L459 PolarHBondContact O-N 3.04Å
456	S	84.1	Confident	69.2	Low	0 Å²	0	71.2 Å²	71.2	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-52.3	-40.9	171.5	-66.4	0	0	0	0	112.9	I305 I306 K307 M323 D458 L459 E460	I305-S456 PolarHBondContact O-N 3Å; I305-S456 PolarHBondContact O-OG 3.04Å; I306-S456 WeakPolarHBondContact CA-OG 3.4Å; K307-S456 PolarHBondContact N-OG 3.35Å; M323-S456 WeakPolarHBondContact O-CA 3.41Å; M323-S456 VanDerWaalsContact O-CB 3.24Å; M323-S456 WeakPolarHBondContact O-CB 3.37Å; M323-S456 PolarHBondContact O-OG 3.47Å; S456-D458 VanDerWaalsContact C-N 3.31Å; S456-D458 PolarHBondContact O-N 3.05Å; S456-L459 PolarHBondContact O-N 2.89Å; S456-E460 WeakPolarHBondContact O-CG 3.3Å; S456-E460 PolarHBondContact O-N 3.2Å; S456-E460 VanDerWaalsContact O-N 3.14Å
457	E	83.4	Confident	70.6	Confident	24 Å²	24	69.8 Å²	69.8	11%	0.112	38%	0.383	C	S	.	.	H	α-helix	trans	-65.1	-34.2	176.7	-65.7	-164.3	136.7	0	0	112.2	T455 N461 R491 R506 Q507	T455-E457 PolarHBondContact O-N 3.17Å; E457-N461 WeakPolarHBondContact O-CB 3.13Å; E457-N461 PolarHBondContact O-N 3.28Å; E457-N461 PolarHBondContact O-ND2 2.98Å; E457-R491 IonicContact OE1-NH2 2.71Å; E457-R491 IonicContact OE2-NH2 3.37Å; E457-R506 IonicContact OE2-NH1 2.74Å; E457-R506 PolarHBondContact OE2-NH1 3.09Å; E457-Q507 PolarHBondContact OE1-N 3.38Å
458	D	80.5	Confident	72.3	Confident	57 Å²	57	64 Å²	64	31%	0.305	37%	0.369	S	S	.	.	H	α-helix	trans	-73.5	-35.8	177.6	-58.7	-39	0	0	0	111.8	T455 S456 E460 N461 K462 R506	T455-D458 WeakPolarHBondContact CB-OD2 3.41Å; T455-D458 PolarHBondContact N-OD2 2.82Å; T455-D458 PolarHBondContact O-N 3.45Å; T455-D458 PolarHBondContact OG1-N 3.36Å; T455-D458 PolarHBondContact OG1-OD2 3.43Å; S456-D458 VanDerWaalsContact C-N 3.31Å; S456-D458 PolarHBondContact O-N 3.05Å; D458-E460 VanDerWaalsContact C-N 3.34Å; D458-N461 CarbonylContact O-C 3.52Å; D458-N461 PolarHBondContact O-N 3.12Å; D458-K462 WeakPolarHBondContact O-CA 3.25Å; D458-K462 WeakPolarHBondContact O-CB 3.24Å; D458-K462 PolarHBondContact O-N 2.8Å; D458-R506 IonicContact OD1-CZ 3.97Å; D458-R506 VanDerWaalsContact OD1-CZ 3.26Å; D458-R506 IonicContact OD1-NH1 2.73Å; D458-R506 PolarHBondContact OD1-NH1 2.8Å; D458-R506 IonicContact OD1-NH2 3.18Å; D458-R506 PolarHBondContact OD1-NH2 2.81Å
459	L	81.4	Confident	73.9	Confident	21 Å²	21	61.4 Å²	61.4	11%	0.11	35%	0.345	C	S	.	.	H	α-helix	trans	-61.3	-42.3	173.6	-74.2	171.4	0	0	0	111.8	T304 E454 T455 S456 N461	T304-L459 HydrophobicContact CG2-CD1 3.53Å; E454-L459 HydrophobicContact CB-CD2 4.34Å; E454-L459 HydrophobicContact CB-CG 4.29Å; E454-L459 WeakPolarHBondContact OE2-CD2 3.16Å; T455-L459 PolarHBondContact O-N 3.04Å; S456-L459 PolarHBondContact O-N 2.89Å; L459-N461 VanDerWaalsContact C-N 3.34Å
460	E	79.5	Confident	75.6	Confident	78 Å²	78	62.9 Å²	62.9	36%	0.364	35%	0.347	S	S	.	.	H	α-helix	trans	-69.9	-30.5	178.7	-71.4	174.5	-166.6	0	0	113	M323 S456 D458	M323-E460 HydrophobicContact CG-CG 4.28Å; S456-E460 WeakPolarHBondContact O-CG 3.3Å; S456-E460 PolarHBondContact O-N 3.2Å; S456-E460 VanDerWaalsContact O-N 3.14Å; D458-E460 VanDerWaalsContact C-N 3.34Å
461	N	76	Confident	77.1	Confident	11 Å²	11	64.5 Å²	64.5	6%	0.059	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	14.3	-175.8	-63.7	-77.9	0	0	0	113.3	E457 D458 L459 G463 K464 C467 S505 R506	E457-N461 WeakPolarHBondContact O-CB 3.13Å; E457-N461 PolarHBondContact O-N 3.28Å; E457-N461 PolarHBondContact O-ND2 2.98Å; D458-N461 CarbonylContact O-C 3.52Å; D458-N461 PolarHBondContact O-N 3.12Å; L459-N461 VanDerWaalsContact C-N 3.34Å; N461-G463 PolarHBondContact O-N 3.04Å; N461-K464 WeakPolarHBondContact O-CB 3.47Å; N461-K464 PolarHBondContact O-N 2.74Å; N461-C467 HydrophobicContact CB-CB 4.24Å; N461-C467 PolarHBondContact OD1-SG 3.47Å; N461-C467 VanDerWaalsContact OD1-SG 3.41Å; N461-S505 PolarHBondContact ND2-O 3.36Å; N461-R506 PolarHBondContact ND2-NE 3.49Å
462	K	72.6	Confident	78.5	Confident	128 Å²	128	64.9 Å²	64.9	56%	0.557	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	125.8	-176	-168.6	166.9	-176.3	161.4	0	110.9	E454 D458	E454-K462 IonicContact OE1-NZ 2.71Å; E454-K462 PolarHBondContact OE1-NZ 3.03Å; D458-K462 WeakPolarHBondContact O-CA 3.25Å; D458-K462 WeakPolarHBondContact O-CB 3.24Å; D458-K462 PolarHBondContact O-N 2.8Å
463	G	70.7	Confident	79.3	Confident	78 Å²	78	59.1 Å²	59.1	80%	0.804	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.6	-5.6	-178.7	0	0	0	0	0	115.7	N461	N461-G463 PolarHBondContact O-N 3.04Å
464	K	78.4	Confident	79.8	Confident	73 Å²	73	62.7 Å²	62.7	32%	0.317	34%	0.338	S	S	.	.			trans	-97.8	86.4	179.6	-58.5	-176.8	-178.6	-176.8	0	111.6	N461 E466 C467 M502	N461-K464 WeakPolarHBondContact O-CB 3.47Å; N461-K464 PolarHBondContact O-N 2.74Å; K464-E466 PolarHBondContact O-N 2.76Å; K464-C467 HydrophobicContact CB-CB 4.29Å; K464-C467 WeakPolarHBondContact CB-SG 3.15Å; K464-C467 PolarHBondContact O-N 3.17Å; K464-C467 VanDerWaalsContact O-N 3.1Å; K464-M502 PolarHBondContact NZ-O 3.44Å
465	K	78.3	Confident	79.6	Confident	179 Å²	179	62.8 Å²	62.8	78%	0.778	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-61.2	-24.7	178.3	-66.2	-174.6	-179	179.7	0	112.5	C467 T468	K465-C467 VanDerWaalsContact C-N 3.25Å; K465-C467 PolarHBondContact O-N 2.65Å; K465-T468 WeakPolarHBondContact O-CB 3.14Å; K465-T468 PolarHBondContact O-N 2.78Å; K465-T468 PolarHBondContact O-OG1 2.84Å
466	E	81.1	Confident	78.9	Confident	69 Å²	69	65 Å²	65	32%	0.322	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-65.8	-26	177.5	-61.2	70.7	-156.1	0	0	112.7	K464 T468 K498 M502	K464-E466 PolarHBondContact O-N 2.76Å; E466-T468 PolarHBondContact O-N 3.15Å; E466-K498 HydrophobicContact CB-CB 4.22Å; E466-K498 HydrophobicContact CG-CB 4.07Å; E466-K498 HydrophobicContact CG-CD 4.21Å; E466-M502 HydrophobicContact CB-CG 4.45Å; E466-M502 HydrophobicContact CG-CG 4.45Å
467	C	81.8	Confident	78.3	Confident	3 Å²	3	65.8 Å²	65.8	2%	0.02	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-81	10.1	178.3	-53.8	0	0	0	0	113.2	N461 K464 K465 V469 Y493 C504	N461-C467 HydrophobicContact CB-CB 4.24Å; N461-C467 PolarHBondContact OD1-SG 3.47Å; N461-C467 VanDerWaalsContact OD1-SG 3.41Å; K464-C467 HydrophobicContact CB-CB 4.29Å; K464-C467 WeakPolarHBondContact CB-SG 3.15Å; K464-C467 PolarHBondContact O-N 3.17Å; K464-C467 VanDerWaalsContact O-N 3.1Å; K465-C467 VanDerWaalsContact C-N 3.25Å; K465-C467 PolarHBondContact O-N 2.65Å; C467-V469 PolarHBondContact O-N 2.96Å; C467-Y493 HydrophobicContact CB-CE1 4.47Å; C467-C504 WeakPolarHBondContact CA-SG 3.3Å; C467-C504 HydrophobicContact CB-CB 3.74Å; C467-C504 WeakPolarHBondContact CB-SG 3.16Å; C467-C504 WeakPolarHBondContact SG-CB 3.37Å; C467-C504 CovalentContact SG-SG 2.03Å; C467-C504 PolarHBondContact SG-SG 2.87Å
468	T	82.7	Confident	77.8	Confident	73 Å²	73	65.3 Å²	65.3	45%	0.448	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-64.6	128.1	175.8	-55.5	0	0	0	0	110.4	K465 E466 K494	K465-T468 WeakPolarHBondContact O-CB 3.14Å; K465-T468 PolarHBondContact O-N 2.78Å; K465-T468 PolarHBondContact O-OG1 2.84Å; E466-T468 PolarHBondContact O-N 3.15Å; T468-K494 WeakPolarHBondContact O-CB 3.37Å; T468-K494 PolarHBondContact O-N 3.13Å
469	V	83.1	Confident	77.3	Confident	36 Å²	36	66.2 Å²	66.2	22%	0.218	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-97.4	158.5	-179	-63.3	0	0	0	0	111.9	C467 Y493 R506 M508	C467-V469 PolarHBondContact O-N 2.96Å; V469-Y493 HydrophobicContact CG1-CD1 3.78Å; V469-Y493 HydrophobicContact CG1-CE1 3.87Å; V469-R506 HydrophobicContact CG1-CB 4.02Å; V469-R506 HydrophobicContact CG1-CG 4.09Å; V469-M508 HydrophobicContact CG1-CE 3.55Å
470	L	84.3	Confident	76.6	Confident	90 Å²	90	66 Å²	66	47%	0.471	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-77	165.1	167.9	-62.3	174.2	0	0	0	110.4	G492 K494	L470-G492 PolarHBondContact N-O 3.3Å; L470-K494 HydrophobicContact CD2-CB 4.3Å; L470-K494 HydrophobicContact CD2-CG 4.35Å
471	N	82.4	Confident	75.8	Confident	154 Å²	154	65.2 Å²	65.2	82%	0.824	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-59.9	150.3	169.2	-65.2	-14	0	0	0	110.3
472	W	78.3	Confident	75.4	Confident	66 Å²	66	66.4 Å²	66.4	25%	0.25	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-59.5	137.7	174.1	-73.6	110.7	0	0	0	111.4	R489 R491 Q507 M508 E510	W472-R489 HydrophobicContact CD2-CG 4.25Å; W472-R489 HydrophobicContact CE3-CB 4.39Å; W472-R489 HydrophobicContact CE3-CG 3.68Å; W472-R489 HydrophobicContact CZ3-CG 4.1Å; W472-R491 HydrophobicContact CD2-CB 4.13Å; W472-R491 HydrophobicContact CD2-CG 3.96Å; W472-R491 VanDerWaalsContact CE2-CD 3.46Å; W472-R491 HydrophobicContact CE3-CB 3.78Å; W472-R491 HydrophobicContact CE3-CG 3.69Å; W472-R491 HydrophobicContact CH2-CG 3.9Å; W472-R491 HydrophobicContact CZ2-CG 4.15Å; W472-R491 HydrophobicContact CZ3-CB 4.16Å; W472-R491 HydrophobicContact CZ3-CG 3.67Å; W472-Q507 HydrophobicContact CH2-CG 4.33Å; W472-M508 WeakPolarHBondContact CZ3-O 3.5Å; W472-E510 HydrophobicContact CH2-CB 3.76Å; W472-E510 HydrophobicContact CZ2-CB 4.33Å; W472-E510 WeakPolarHBondContact CZ2-OE2 3.43Å; W472-E510 HydrophobicContact CZ3-CB 3.99Å
473	A	77.2	Confident	75.4	Confident	40 Å²	40	60.3 Å²	60.3	33%	0.331	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-63.5	158.5	164.7	0	0	0	0	0	110.3	T490	A473-T490 WeakPolarHBondContact CB-O 3.42Å; A473-T490 PolarHBondContact N-O 3.22Å
474	P	76.9	Confident	75.5	Confident	92 Å²	92	57.1 Å²	57.1	60%	0.597	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-54.8	148.9	170.4	-23.5	33.9	0	0	0	111.5	S476	P474-S476 PolarHBondContact O-N 2.98Å
475	W	73.9	Confident	75.4	Confident	42 Å²	42	53.6 Å²	53.6	16%	0.159	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-60.8	136.4	173.7	-73.8	105.5	0	0	0	111	R487 R489 E510 Q512 R692	W475-R487 HydrophobicContact CD2-CG 4.35Å; W475-R487 HydrophobicContact CE3-CB 4.29Å; W475-R487 HydrophobicContact CE3-CG 3.75Å; W475-R487 HydrophobicContact CZ3-CG 4.18Å; W475-R489 HydrophobicContact CD2-CB 4.05Å; W475-R489 HydrophobicContact CD2-CG 3.91Å; W475-R489 HydrophobicContact CE3-CB 3.85Å; W475-R489 HydrophobicContact CE3-CG 3.75Å; W475-R489 HydrophobicContact CH2-CG 3.78Å; W475-R489 HydrophobicContact CZ2-CG 3.93Å; W475-R489 VanDerWaalsContact CZ2-CZ 3.47Å; W475-R489 VanDerWaalsContact CZ2-NE 3.29Å; W475-R489 HydrophobicContact CZ3-CB 4.22Å; W475-R489 HydrophobicContact CZ3-CG 3.7Å; W475-E510 HydrophobicContact CH2-CB 4.14Å; W475-E510 HydrophobicContact CH2-CG 3.77Å; W475-E510 HydrophobicContact CZ2-CG 4.49Å; W475-Q512 HydrophobicContact CH2-CB 3.58Å; W475-Q512 HydrophobicContact CZ2-CB 4.3Å; W475-Q512 HydrophobicContact CZ3-CB 3.73Å; W475-R692 PolarHBondContact O-NH1 3.1Å
476	S	71.3	Confident	75.3	Confident	52 Å²	52	46 Å²	46	36%	0.364	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-57.7	161.1	164.6	78.7	0	0	0	0	110	P474 R487 M488	P474-S476 PolarHBondContact O-N 2.98Å; S476-R487 WeakPolarHBondContact O-CB 3.4Å; S476-R487 WeakPolarHBondContact OG-CA 3.09Å; S476-M488 WeakPolarHBondContact CB-O 3.46Å; S476-M488 PolarHBondContact N-O 3.04Å; S476-M488 PolarHBondContact OG-N 3.26Å; S476-M488 PolarHBondContact OG-O 2.83Å
477	L	71.3	Confident	75.1	Confident	15 Å²	15	46.5 Å²	46.5	8%	0.079	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-64.9	163.1	167.7	-62.8	172.4	0	0	0	109.8	S479 F646 H650 E653 I654	L477-S479 PolarHBondContact O-N 3.44Å; L477-F646 HydrophobicContact CB-CE2 4.43Å; L477-F646 HydrophobicContact CB-CZ 3.94Å; L477-F646 HydrophobicContact CD1-CD1 4.39Å; L477-F646 HydrophobicContact CD1-CE1 3.37Å; L477-F646 HydrophobicContact CD1-CE2 4.12Å; L477-F646 HydrophobicContact CD1-CZ 3.21Å; L477-F646 HydrophobicContact CG-CZ 4.13Å; L477-H650 HydrophobicContact CD1-CB 3.62Å; L477-H650 HydrophobicContact CD2-CB 3.86Å; L477-H650 HydrophobicContact CG-CB 4.33Å; L477-E653 WeakPolarHBondContact CD2-OE2 3.5Å; L477-I654 HydrophobicContact CD1-CD1 4.08Å; L477-I654 HydrophobicContact CD1-CG1 4.42Å
478	C	72.7	Confident	74.9	Confident	14 Å²	14	49.6 Å²	49.6	10%	0.095	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-61.3	131.8	174.3	-162	0	0	0	0	109.3	A480 C514	C478-A480 PolarHBondContact O-N 3.01Å; C478-C514 WeakPolarHBondContact CA-SG 3.21Å; C478-C514 HydrophobicContact CB-CB 3.93Å; C478-C514 WeakPolarHBondContact CB-SG 3.17Å; C478-C514 WeakPolarHBondContact SG-CB 3.23Å; C478-C514 PolarHBondContact SG-O 2.96Å; C478-C514 CovalentContact SG-SG 2.04Å; C478-C514 PolarHBondContact SG-SG 2.81Å
479	S	69.8	Low	74.6	Confident	76 Å²	76	47.1 Å²	47.1	53%	0.531	26%	0.264	S	S	.	.	S	Bend	trans	-63.9	-22.6	-179.5	66.7	0	0	0	0	112.6	L477 I486	L477-S479 PolarHBondContact O-N 3.44Å; S479-I486 WeakPolarHBondContact CB-O 3.42Å; S479-I486 PolarHBondContact N-O 3.4Å; S479-I486 WeakPolarHBondContact OG-CG1 3.42Å; S479-I486 PolarHBondContact OG-N 3.31Å; S479-I486 PolarHBondContact OG-O 2.89Å
480	A	66.4	Low	74.5	Confident	18 Å²	18	49 Å²	49	15%	0.149	28%	0.275	C	S	.	.			trans	-101.1	139.5	179.7	0	0	0	0	0	110.8	C478 C482 K484 A516	C478-A480 PolarHBondContact O-N 3.01Å; A480-C482 WeakPolarHBondContact CB-O 3.19Å; A480-K484 WeakPolarHBondContact CB-O 3.44Å; A480-A516 VanDerWaalsContact O-CB 3.31Å; A480-A516 WeakPolarHBondContact O-CB 3.36Å
481	T	63.7	Low	74.4	Confident	60 Å²	60	46.9 Å²	46.9	37%	0.368	26%	0.261	S	S	.	.	S	Bend	trans	-93.6	-18.5	175.7	53	0	0	0	0	112.7	A516 L641	T481-A516 VanDerWaalsContact C-CB 3.44Å; T481-L641 HydrophobicContact CG2-CB 4.24Å; T481-L641 HydrophobicContact CG2-CD2 3.69Å
482	C	67	Low	74.3	Confident	36 Å²	36	41 Å²	41	24%	0.243	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-142.6	155.8	165.9	66.6	0	0	0	0	109	A480 A516 L518 C521	A480-C482 WeakPolarHBondContact CB-O 3.19Å; C482-A516 VanDerWaalsContact CA-CB 3.47Å; C482-L518 CarbonylContact C-O 3.51Å; C482-L518 WeakPolarHBondContact CA-O 3.42Å; C482-L518 HydrophobicContact CB-CB 3.81Å; C482-L518 WeakPolarHBondContact CB-O 3.36Å; C482-C521 HydrophobicContact CB-CB 4.02Å; C482-C521 WeakPolarHBondContact CB-SG 3.14Å; C482-C521 PolarHBondContact O-SG 2.92Å; C482-C521 VanDerWaalsContact O-SG 3.37Å; C482-C521 WeakPolarHBondContact SG-CB 3.01Å; C482-C521 CovalentContact SG-SG 2.03Å; C482-C521 PolarHBondContact SG-SG 2.94Å
483	G	71.4	Confident	74.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	73.6	-150.7	-178.9	0	0	0	0	0	113.5	A516 L518 S519	G483-A516 WeakPolarHBondContact O-CB 3.39Å; G483-A516 PolarHBondContact O-N 3.37Å; G483-L518 PolarHBondContact N-O 2.04Å; G483-S519 WeakPolarHBondContact CA-O 3.34Å
484	K	74.6	Confident	74.5	Confident	11 Å²	11	45.2 Å²	45.2	5%	0.048	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	143.2	-179.4	-54.7	-178.8	167.2	-165.3	0	111	P341 S342 Y382 S384 A480 F513 N515 F527	P341-K484 HydrophobicContact CB-CD 4.49Å; S342-K484 PolarHBondContact O-NZ 3.44Å; S342-K484 VanDerWaalsContact O-NZ 3.12Å; Y382-K484 PolarHBondContact O-NZ 3.14Å; Y382-K484 VanDerWaalsContact O-NZ 3.17Å; S384-K484 WeakPolarHBondContact O-CE 3.39Å; S384-K484 PolarHBondContact O-NZ 2.69Å; A480-K484 WeakPolarHBondContact CB-O 3.44Å; K484-F513 HydrophobicContact CB-CE1 3.77Å; K484-F513 HydrophobicContact CB-CE2 4.14Å; K484-F513 HydrophobicContact CB-CZ 3.33Å; K484-F513 HydrophobicContact CD-CE1 3.57Å; K484-F513 HydrophobicContact CD-CZ 3.48Å; K484-F513 VanDerWaalsContact CD-CZ 3.48Å; K484-F513 HydrophobicContact CG-CE1 3.87Å; K484-F513 HydrophobicContact CG-CZ 3.82Å; K484-N515 WeakPolarHBondContact CG-OD1 3.37Å; K484-F527 HydrophobicContact CB-CD1 4.37Å; K484-F527 HydrophobicContact CB-CE1 3.9Å; K484-F527 HydrophobicContact CG-CD1 4.26Å; K484-F527 HydrophobicContact CG-CE1 4.29Å
485	G	74.6	Confident	74.7	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	-167.2	-180	0	0	0	0	0	112.5	F513 C514	G485-F513 WeakPolarHBondContact O-CD2 3.44Å; G485-C514 PolarHBondContact N-O 3.13Å; G485-C514 PolarHBondContact O-N 2.79Å
486	I	77	Confident	75.1	Confident	19 Å²	19	46 Å²	46	10%	0.097	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	144.6	179.1	58.7	-177.1	0	0	0	110.7	L233 W312 S479 M488 Q512 F513 C514	L233-I486 HydrophobicContact CD2-CG2 3.86Å; W312-I486 HydrophobicContact CH2-CG2 4.05Å; W312-I486 HydrophobicContact CZ3-CG2 3.78Å; S479-I486 WeakPolarHBondContact CB-O 3.42Å; S479-I486 PolarHBondContact N-O 3.4Å; S479-I486 WeakPolarHBondContact OG-CG1 3.42Å; S479-I486 PolarHBondContact OG-N 3.31Å; S479-I486 PolarHBondContact OG-O 2.89Å; I486-M488 HydrophobicContact CD1-CE 3.33Å; I486-M488 HydrophobicContact CG1-CE 4.02Å; I486-Q512 CarbonylContact C-O 3.53Å; I486-Q512 VanDerWaalsContact CA-O 3.32Å; I486-Q512 WeakPolarHBondContact CA-O 3.05Å; I486-F513 HydrophobicContact CG2-CD2 4.44Å; I486-C514 PolarHBondContact N-SG 3.16Å
487	R	77.4	Confident	75.5	Confident	79 Å²	79	48.2 Å²	48.2	30%	0.298	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	151.5	166.9	62.3	-179.9	-171.7	-168.7	-4	109.7	W475 S476 K511 Q512 C514	W475-R487 HydrophobicContact CD2-CG 4.35Å; W475-R487 HydrophobicContact CE3-CB 4.29Å; W475-R487 HydrophobicContact CE3-CG 3.75Å; W475-R487 HydrophobicContact CZ3-CG 4.18Å; S476-R487 WeakPolarHBondContact O-CB 3.4Å; S476-R487 WeakPolarHBondContact OG-CA 3.09Å; R487-K511 WeakPolarHBondContact O-CA 3.43Å; R487-Q512 HydrophobicContact CG-CB 4.08Å; R487-Q512 VanDerWaalsContact CZ-OE1 3.28Å; R487-Q512 PolarHBondContact N-O 2.86Å; R487-Q512 VanDerWaalsContact NH2-CD 3.34Å; R487-Q512 PolarHBondContact O-N 3.25Å; R487-C514 HydrophobicContact CG-CB 4.3Å
488	M	76.8	Confident	75.9	Confident	69 Å²	69	52.9 Å²	52.9	34%	0.34	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	148.2	-174.2	-54.2	-169.9	-175.1	0	0	110.9	S476 I486 E510 K511	S476-M488 WeakPolarHBondContact CB-O 3.46Å; S476-M488 PolarHBondContact N-O 3.04Å; S476-M488 PolarHBondContact OG-N 3.26Å; S476-M488 PolarHBondContact OG-O 2.83Å; I486-M488 HydrophobicContact CD1-CE 3.33Å; I486-M488 HydrophobicContact CG1-CE 4.02Å; M488-E510 VanDerWaalsContact CA-O 3.28Å; M488-E510 WeakPolarHBondContact CA-O 3.3Å; M488-K511 HydrophobicContact CE-CD 4.01Å; M488-K511 HydrophobicContact CE-CG 4.18Å; M488-K511 HydrophobicContact CG-CG 4.05Å; M488-K511 HydrophobicContact SD-CG 4.17Å
489	R	77.2	Confident	76.3	Confident	21 Å²	21	52.2 Å²	52.2	8%	0.079	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	156.8	166.7	64.3	178.4	-174.6	-169	0.2	110.3	Q271 W472 W475 N509 E510	Q271-R489 VanDerWaalsContact NE2-CZ 3.33Å; W472-R489 HydrophobicContact CD2-CG 4.25Å; W472-R489 HydrophobicContact CE3-CB 4.39Å; W472-R489 HydrophobicContact CE3-CG 3.68Å; W472-R489 HydrophobicContact CZ3-CG 4.1Å; W475-R489 HydrophobicContact CD2-CB 4.05Å; W475-R489 HydrophobicContact CD2-CG 3.91Å; W475-R489 HydrophobicContact CE3-CB 3.85Å; W475-R489 HydrophobicContact CE3-CG 3.75Å; W475-R489 HydrophobicContact CH2-CG 3.78Å; W475-R489 HydrophobicContact CZ2-CG 3.93Å; W475-R489 VanDerWaalsContact CZ2-CZ 3.47Å; W475-R489 VanDerWaalsContact CZ2-NE 3.29Å; W475-R489 HydrophobicContact CZ3-CB 4.22Å; W475-R489 HydrophobicContact CZ3-CG 3.7Å; R489-N509 WeakPolarHBondContact O-CA 3.28Å; R489-E510 HydrophobicContact CG-CB 3.98Å; R489-E510 IonicContact CZ-OE1 3.44Å; R489-E510 IonicContact CZ-OE2 3.13Å; R489-E510 PolarHBondContact N-O 3.06Å; R489-E510 IonicContact NE-OE1 2.69Å; R489-E510 IonicContact NE-OE2 2.66Å; R489-E510 PolarHBondContact NE-OE2 3.1Å; R489-E510 VanDerWaalsContact NH2-CD 3.29Å; R489-E510 IonicContact NH2-OE1 3.21Å; R489-E510 PolarHBondContact NH2-OE1 2.86Å; R489-E510 VanDerWaalsContact NH2-OE1 3.15Å; R489-E510 IonicContact NH2-OE2 2.79Å; R489-E510 PolarHBondContact NH2-OE2 3.33Å; R489-E510 PolarHBondContact O-N 3.09Å
490	T	80.2	Confident	76.7	Confident	75 Å²	75	56.3 Å²	56.3	46%	0.46	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	149.2	-176.2	65.2	0	0	0	0	111	A473 M508 N509	A473-T490 WeakPolarHBondContact CB-O 3.42Å; A473-T490 PolarHBondContact N-O 3.22Å; T490-M508 CarbonylContact C-O 3.48Å; T490-M508 VanDerWaalsContact CA-O 3.26Å; T490-M508 WeakPolarHBondContact CA-O 3.47Å; T490-N509 WeakPolarHBondContact CG2-OD1 3.39Å
491	R	82.3	Confident	77.3	Confident	45 Å²	45	61.7 Å²	61.7	17%	0.17	32%	0.317	C	S	.	.			trans	-137.5	160.7	167.6	66.3	-178.3	175	-178.9	1.9	109.4	E457 W472 Q507 M508	E457-R491 IonicContact OE1-NH2 2.71Å; E457-R491 IonicContact OE2-NH2 3.37Å; W472-R491 HydrophobicContact CD2-CB 4.13Å; W472-R491 HydrophobicContact CD2-CG 3.96Å; W472-R491 VanDerWaalsContact CE2-CD 3.46Å; W472-R491 HydrophobicContact CE3-CB 3.78Å; W472-R491 HydrophobicContact CE3-CG 3.69Å; W472-R491 HydrophobicContact CH2-CG 3.9Å; W472-R491 HydrophobicContact CZ2-CG 4.15Å; W472-R491 HydrophobicContact CZ3-CB 4.16Å; W472-R491 HydrophobicContact CZ3-CG 3.67Å; R491-Q507 PolarHBondContact NE-O 3.22Å; R491-Q507 PolarHBondContact NH2-O 3.31Å; R491-Q507 VanDerWaalsContact NH2-O 3.13Å; R491-M508 HydrophobicContact CG-CE 4.26Å; R491-M508 PolarHBondContact N-O 2.93Å
492	G	79.9	Confident	78	Confident	30 Å²	30	63.1 Å²	63.1	31%	0.309	32%	0.321	S	S	.	.			trans	-124	165.7	177	0	0	0	0	0	112	L470	L470-G492 PolarHBondContact N-O 3.3Å
493	Y	80.5	Confident	78.6	Confident	38 Å²	38	64.1 Å²	64.1	15%	0.149	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-66.8	142.6	168.1	-66.8	-67.8	0	0	0	111	C467 V469 N495 A499 C504 R506 M508	C467-Y493 HydrophobicContact CB-CE1 4.47Å; V469-Y493 HydrophobicContact CG1-CD1 3.78Å; V469-Y493 HydrophobicContact CG1-CE1 3.87Å; Y493-N495 PolarHBondContact O-N 3.39Å; Y493-A499 HydrophobicContact CD1-CB 3.82Å; Y493-A499 HydrophobicContact CD2-CB 3.57Å; Y493-A499 HydrophobicContact CE1-CB 4.32Å; Y493-A499 HydrophobicContact CE2-CB 4.08Å; Y493-A499 HydrophobicContact CG-CB 3.42Å; Y493-A499 VanDerWaalsContact CG-CB 3.42Å; Y493-C504 HydrophobicContact CE1-CB 3.8Å; Y493-C504 HydrophobicContact CE2-CB 4.33Å; Y493-C504 WeakPolarHBondContact OH-CB 3.37Å; Y493-C504 PolarHBondContact OH-O 2.03Å; Y493-R506 HydrophobicContact CE1-CB 3.92Å; Y493-R506 HydrophobicContact CE1-CG 3.92Å; Y493-R506 PolarHBondContact OH-N 3.02Å; Y493-M508 HydrophobicContact CD2-SD 3.98Å; Y493-M508 HydrophobicContact CE1-CE 4.14Å; Y493-M508 HydrophobicContact CE1-SD 4.47Å; Y493-M508 HydrophobicContact CE2-CE 4.41Å; Y493-M508 HydrophobicContact CE2-SD 3.86Å; Y493-M508 HydrophobicContact CG-SD 4.36Å
494	K	80.7	Confident	79.1	Confident	157 Å²	157	65 Å²	65	68%	0.683	34%	0.343	S	S	*	.	S	Bend	trans	-61.6	-34	174.7	-172.2	176.2	-177.7	176.5	0	111.7	T468 L470	T468-K494 WeakPolarHBondContact O-CB 3.37Å; T468-K494 PolarHBondContact O-N 3.13Å; L470-K494 HydrophobicContact CD2-CB 4.3Å; L470-K494 HydrophobicContact CD2-CG 4.35Å
495	N	80.4	Confident	79.2	Confident	63 Å²	63	67.2 Å²	67.2	34%	0.337	36%	0.36	S	S	.	.	S	Bend	trans	-126.6	90.8	171.3	-169.1	-32.2	0	0	0	110.2	Y493 V497 K498 A499	Y493-N495 PolarHBondContact O-N 3.39Å; N495-V497 PolarHBondContact O-N 2.67Å; N495-K498 HydrophobicContact CB-CB 4.34Å; N495-K498 WeakPolarHBondContact ND2-CD 3.47Å; N495-K498 PolarHBondContact OD1-N 2.85Å; N495-A499 VanDerWaalsContact O-CB 3.27Å; N495-A499 WeakPolarHBondContact O-CB 3.13Å; N495-A499 PolarHBondContact O-N 2.88Å
496	P	81.6	Confident	79.5	Confident	87 Å²	87	69 Å²	69	57%	0.565	37%	0.366	S	S	*	.	H	α-helix	trans	-64.8	-38.2	-171.4	24.1	-33.2	0	0	0	113.3	A499 H500	P496-A499 PolarHBondContact O-N 3.38Å; P496-H500 WeakPolarHBondContact O-CB 3.42Å; P496-H500 PolarHBondContact O-N 2.92Å
497	V	80.9	Confident	79.7	Confident	99 Å²	99	68.8 Å²	68.8	60%	0.6	37%	0.365	S	S	*	.	H	α-helix	trans	-66.2	-49.4	-179	-179.3	0	0	0	0	110.8	N495 A499 H500 I501	N495-V497 PolarHBondContact O-N 2.67Å; V497-A499 PolarHBondContact O-N 3.27Å; V497-H500 PolarHBondContact O-N 3.4Å; V497-I501 HydrophobicContact CG1-CD1 4.06Å; V497-I501 WeakPolarHBondContact O-CG1 3.05Å; V497-I501 PolarHBondContact O-N 3.47Å
498	K	79.7	Confident	79.9	Confident	113 Å²	113	66.9 Å²	66.9	49%	0.491	36%	0.36	S	S	.	.	H	α-helix	trans	-65.6	-39.1	177.8	-70.6	-168.4	-178.9	-174.2	0	112	E466 N495 H500 I501 M502	E466-K498 HydrophobicContact CB-CB 4.22Å; E466-K498 HydrophobicContact CG-CB 4.07Å; E466-K498 HydrophobicContact CG-CD 4.21Å; N495-K498 HydrophobicContact CB-CB 4.34Å; N495-K498 WeakPolarHBondContact ND2-CD 3.47Å; N495-K498 PolarHBondContact OD1-N 2.85Å; K498-H500 VanDerWaalsContact C-N 3.31Å; K498-H500 PolarHBondContact O-N 3.38Å; K498-I501 PolarHBondContact O-N 2.04Å; K498-M502 WeakPolarHBondContact O-CB 3.38Å; K498-M502 VanDerWaalsContact O-CG 3.3Å; K498-M502 WeakPolarHBondContact O-CG 3.18Å; K498-M502 PolarHBondContact O-N 3.35Å
499	A	79.9	Confident	79.9	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-62.7	-38.7	178.7	0	0	0	0	0	112.3	Y493 N495 P496 V497 M502 G503 C504	Y493-A499 HydrophobicContact CD1-CB 3.82Å; Y493-A499 HydrophobicContact CD2-CB 3.57Å; Y493-A499 HydrophobicContact CE1-CB 4.32Å; Y493-A499 HydrophobicContact CE2-CB 4.08Å; Y493-A499 HydrophobicContact CG-CB 3.42Å; Y493-A499 VanDerWaalsContact CG-CB 3.42Å; N495-A499 VanDerWaalsContact O-CB 3.27Å; N495-A499 WeakPolarHBondContact O-CB 3.13Å; N495-A499 PolarHBondContact O-N 2.88Å; P496-A499 PolarHBondContact O-N 3.38Å; V497-A499 PolarHBondContact O-N 3.27Å; A499-M502 PolarHBondContact O-N 3.05Å; A499-G503 PolarHBondContact O-N 3.27Å; A499-C504 VanDerWaalsContact CA-SG 3.57Å; A499-C504 HydrophobicContact CB-CB 4.11Å; A499-C504 WeakPolarHBondContact O-CB 3.12Å; A499-C504 PolarHBondContact O-N 2.79Å; A499-C504 PolarHBondContact O-SG 2.87Å; A499-C504 VanDerWaalsContact O-SG 3.38Å
500	H	78.7	Confident	80.2	Confident	162 Å²	162	68.2 Å²	68.2	75%	0.75	37%	0.37	S	S	*	.	H	α-helix	trans	-65.4	-46.7	175.7	-175.3	63.5	0	0	0	112	P496 V497 K498 M502 G503	P496-H500 WeakPolarHBondContact O-CB 3.42Å; P496-H500 PolarHBondContact O-N 2.92Å; V497-H500 PolarHBondContact O-N 3.4Å; K498-H500 VanDerWaalsContact C-N 3.31Å; K498-H500 PolarHBondContact O-N 3.38Å; H500-M502 VanDerWaalsContact C-N 3.26Å; H500-M502 PolarHBondContact O-N 3.06Å; H500-G503 PolarHBondContact O-N 3.16Å; H500-G503 VanDerWaalsContact O-N 3.13Å
501	I	78.9	Confident	80.2	Confident	132 Å²	132	68.4 Å²	68.4	68%	0.677	36%	0.364	S	S	*	.	H	α-helix	trans	-61.6	-35.4	178.5	-64.7	166.6	0	0	0	111.5	V497 K498 G503	V497-I501 HydrophobicContact CG1-CD1 4.06Å; V497-I501 WeakPolarHBondContact O-CG1 3.05Å; V497-I501 PolarHBondContact O-N 3.47Å; K498-I501 PolarHBondContact O-N 2.04Å; I501-G503 VanDerWaalsContact C-N 3.28Å; I501-G503 PolarHBondContact O-N 2.88Å
502	M	79.1	Confident	80.3	Confident	90 Å²	90	66.4 Å²	66.4	44%	0.443	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	3.9	179.8	-64.6	-58.7	-66.7	0	0	114.4	K464 E466 K498 A499 H500 C504	K464-M502 PolarHBondContact NZ-O 3.44Å; E466-M502 HydrophobicContact CB-CG 4.45Å; E466-M502 HydrophobicContact CG-CG 4.45Å; K498-M502 WeakPolarHBondContact O-CB 3.38Å; K498-M502 VanDerWaalsContact O-CG 3.3Å; K498-M502 WeakPolarHBondContact O-CG 3.18Å; K498-M502 PolarHBondContact O-N 3.35Å; A499-M502 PolarHBondContact O-N 3.05Å; H500-M502 VanDerWaalsContact C-N 3.26Å; H500-M502 PolarHBondContact O-N 3.06Å; M502-C504 VanDerWaalsContact C-N 3.31Å; M502-C504 PolarHBondContact O-N 3.41Å
503	G	78.6	Confident	80.5	Confident	56 Å²	56	65.1 Å²	65.1	58%	0.577	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	38	179.9	0	0	0	0	0	113.2	A499 H500 I501 S505	A499-G503 PolarHBondContact O-N 3.27Å; H500-G503 PolarHBondContact O-N 3.16Å; H500-G503 VanDerWaalsContact O-N 3.13Å; I501-G503 VanDerWaalsContact C-N 3.28Å; I501-G503 PolarHBondContact O-N 2.88Å; G503-S505 PolarHBondContact O-N 3.49Å
504	C	81.4	Confident	80.6	Confident	18 Å²	18	63.7 Å²	63.7	12%	0.122	34%	0.338	C	S	.	.			trans	-64.8	130.7	179.7	-62.7	0	0	0	0	111.1	C467 Y493 A499 M502	C467-C504 WeakPolarHBondContact CA-SG 3.3Å; C467-C504 HydrophobicContact CB-CB 3.74Å; C467-C504 WeakPolarHBondContact CB-SG 3.16Å; C467-C504 WeakPolarHBondContact SG-CB 3.37Å; C467-C504 CovalentContact SG-SG 2.03Å; C467-C504 PolarHBondContact SG-SG 2.87Å; Y493-C504 HydrophobicContact CE1-CB 3.8Å; Y493-C504 HydrophobicContact CE2-CB 4.33Å; Y493-C504 WeakPolarHBondContact OH-CB 3.37Å; Y493-C504 PolarHBondContact OH-O 2.03Å; A499-C504 VanDerWaalsContact CA-SG 3.57Å; A499-C504 HydrophobicContact CB-CB 4.11Å; A499-C504 WeakPolarHBondContact O-CB 3.12Å; A499-C504 PolarHBondContact O-N 2.79Å; A499-C504 PolarHBondContact O-SG 2.87Å; A499-C504 VanDerWaalsContact O-SG 3.38Å; M502-C504 VanDerWaalsContact C-N 3.31Å; M502-C504 PolarHBondContact O-N 3.41Å
505	S	76.6	Confident	80.4	Confident	58 Å²	58	58 Å²	58	41%	0.406	32%	0.316	S	S	.	.			trans	-118.5	105.4	171.9	-173.4	0	0	0	0	109.5	N461 G503	N461-S505 PolarHBondContact ND2-O 3.36Å; G503-S505 PolarHBondContact O-N 3.49Å
506	R	81.9	Confident	79.9	Confident	37 Å²	37	55.4 Å²	55.4	14%	0.14	30%	0.303	C	S	.	.			trans	-132.7	152.5	172	-72.2	-72.9	-171.5	158.3	-0.4	107.8	R309 E457 D458 N461 V469 Y493 M508	R309-R506 PolarHBondContact NH2-O 3.08Å; E457-R506 IonicContact OE2-NH1 2.74Å; E457-R506 PolarHBondContact OE2-NH1 3.09Å; D458-R506 IonicContact OD1-CZ 3.97Å; D458-R506 VanDerWaalsContact OD1-CZ 3.26Å; D458-R506 IonicContact OD1-NH1 2.73Å; D458-R506 PolarHBondContact OD1-NH1 2.8Å; D458-R506 IonicContact OD1-NH2 3.18Å; D458-R506 PolarHBondContact OD1-NH2 2.81Å; N461-R506 PolarHBondContact ND2-NE 3.49Å; V469-R506 HydrophobicContact CG1-CB 4.02Å; V469-R506 HydrophobicContact CG1-CG 4.09Å; Y493-R506 HydrophobicContact CE1-CB 3.92Å; Y493-R506 HydrophobicContact CE1-CG 3.92Å; Y493-R506 PolarHBondContact OH-N 3.02Å; R506-M508 HydrophobicContact CB-CE 3.44Å; R506-M508 VanDerWaalsContact CB-CE 3.44Å; R506-M508 PolarHBondContact O-N 3.21Å
507	Q	80.6	Confident	79.2	Confident	16 Å²	16	57.5 Å²	57.5	8%	0.075	31%	0.308	C	S	.	.			trans	-69.1	115.5	174.5	-172.1	173.2	-12.1	0	0	110.9	D238 E457 W472 R491 N509	D238-Q507 PolarHBondContact OD2-NE2 2.72Å; D238-Q507 PolarHBondContact OD2-OE1 2.75Å; E457-Q507 PolarHBondContact OE1-N 3.38Å; W472-Q507 HydrophobicContact CH2-CG 4.33Å; R491-Q507 PolarHBondContact NE-O 3.22Å; R491-Q507 PolarHBondContact NH2-O 3.31Å; R491-Q507 VanDerWaalsContact NH2-O 3.13Å; Q507-N509 WeakPolarHBondContact CG-O 3.44Å; Q507-N509 PolarHBondContact NE2-O 3.1Å; Q507-N509 VanDerWaalsContact NE2-O 3.17Å
508	M	81.6	Confident	78.5	Confident	38 Å²	38	57.6 Å²	57.6	19%	0.187	31%	0.305	C	S	.	.			trans	-96.4	-25.6	-179.5	-62.5	-62.8	90.2	0	0	112.9	V469 W472 T490 R491 Y493 R506	V469-M508 HydrophobicContact CG1-CE 3.55Å; W472-M508 WeakPolarHBondContact CZ3-O 3.5Å; T490-M508 CarbonylContact C-O 3.48Å; T490-M508 VanDerWaalsContact CA-O 3.26Å; T490-M508 WeakPolarHBondContact CA-O 3.47Å; R491-M508 HydrophobicContact CG-CE 4.26Å; R491-M508 PolarHBondContact N-O 2.93Å; Y493-M508 HydrophobicContact CD2-SD 3.98Å; Y493-M508 HydrophobicContact CE1-CE 4.14Å; Y493-M508 HydrophobicContact CE1-SD 4.47Å; Y493-M508 HydrophobicContact CE2-CE 4.41Å; Y493-M508 HydrophobicContact CE2-SD 3.86Å; Y493-M508 HydrophobicContact CG-SD 4.36Å; R506-M508 HydrophobicContact CB-CE 3.44Å; R506-M508 VanDerWaalsContact CB-CE 3.44Å; R506-M508 PolarHBondContact O-N 3.21Å
509	N	77.5	Confident	77.8	Confident	106 Å²	106	54.7 Å²	54.7	57%	0.567	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.1	137.6	179	-55	-50.8	0	0	0	108.5	R489 T490 Q507	R489-N509 WeakPolarHBondContact O-CA 3.28Å; T490-N509 WeakPolarHBondContact CG2-OD1 3.39Å; Q507-N509 WeakPolarHBondContact CG-O 3.44Å; Q507-N509 PolarHBondContact NE2-O 3.1Å; Q507-N509 VanDerWaalsContact NE2-O 3.17Å
510	E	82.8	Confident	77.2	Confident	12 Å²	12	56.6 Å²	56.6	6%	0.056	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	134.6	176.3	-167.5	-179.5	157.9	0	0	108.2	W472 W475 M488 R489	W472-E510 HydrophobicContact CH2-CB 3.76Å; W472-E510 HydrophobicContact CZ2-CB 4.33Å; W472-E510 WeakPolarHBondContact CZ2-OE2 3.43Å; W472-E510 HydrophobicContact CZ3-CB 3.99Å; W475-E510 HydrophobicContact CH2-CB 4.14Å; W475-E510 HydrophobicContact CH2-CG 3.77Å; W475-E510 HydrophobicContact CZ2-CG 4.49Å; M488-E510 VanDerWaalsContact CA-O 3.28Å; M488-E510 WeakPolarHBondContact CA-O 3.3Å; R489-E510 HydrophobicContact CG-CB 3.98Å; R489-E510 IonicContact CZ-OE1 3.44Å; R489-E510 IonicContact CZ-OE2 3.13Å; R489-E510 PolarHBondContact N-O 3.06Å; R489-E510 IonicContact NE-OE1 2.69Å; R489-E510 IonicContact NE-OE2 2.66Å; R489-E510 PolarHBondContact NE-OE2 3.1Å; R489-E510 VanDerWaalsContact NH2-CD 3.29Å; R489-E510 IonicContact NH2-OE1 3.21Å; R489-E510 PolarHBondContact NH2-OE1 2.86Å; R489-E510 VanDerWaalsContact NH2-OE1 3.15Å; R489-E510 IonicContact NH2-OE2 2.79Å; R489-E510 PolarHBondContact NH2-OE2 3.33Å; R489-E510 PolarHBondContact O-N 3.09Å
511	K	80.2	Confident	76.5	Confident	80 Å²	80	49.4 Å²	49.4	35%	0.348	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	135.7	177.9	-62.8	-176.5	179.8	179.7	0	107.1	W312 R487 M488	W312-K511 HydrophobicContact CD2-CB 4.42Å; W312-K511 HydrophobicContact CD2-CD 3.9Å; W312-K511 HydrophobicContact CE3-CD 4.15Å; W312-K511 HydrophobicContact CG-CD 4.3Å; W312-K511 HydrophobicContact CH2-CB 3.81Å; W312-K511 HydrophobicContact CZ2-CB 3.39Å; W312-K511 HydrophobicContact CZ2-CD 4.36Å; W312-K511 HydrophobicContact CZ3-CB 4.48Å; W312-K511 HydrophobicContact CZ3-CD 4.49Å; R487-K511 WeakPolarHBondContact O-CA 3.43Å; M488-K511 HydrophobicContact CE-CD 4.01Å; M488-K511 HydrophobicContact CE-CG 4.18Å; M488-K511 HydrophobicContact CG-CG 4.05Å; M488-K511 HydrophobicContact SD-CG 4.17Å
512	Q	85	Confident	75.7	Confident	3 Å²	3	51.7 Å²	51.7	1%	0.014	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	147.3	177.5	-169.4	-173.2	0.4	0	0	108.8	W267 W475 I486 R487	W267-Q512 HydrophobicContact CB-CG 4.3Å; W267-Q512 WeakPolarHBondContact O-CG 3.45Å; W475-Q512 HydrophobicContact CH2-CB 3.58Å; W475-Q512 HydrophobicContact CZ2-CB 4.3Å; W475-Q512 HydrophobicContact CZ3-CB 3.73Å; I486-Q512 CarbonylContact C-O 3.53Å; I486-Q512 VanDerWaalsContact CA-O 3.32Å; I486-Q512 WeakPolarHBondContact CA-O 3.05Å; R487-Q512 HydrophobicContact CG-CB 4.08Å; R487-Q512 VanDerWaalsContact CZ-OE1 3.28Å; R487-Q512 PolarHBondContact N-O 2.86Å; R487-Q512 VanDerWaalsContact NH2-CD 3.34Å; R487-Q512 PolarHBondContact O-N 3.25Å
513	F	84.6	Confident	74.6	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.009	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	146.9	171.4	-154.8	-115.5	0	0	0	111.3	W267 M338 P341 K484 G485 I486	W267-F513 HydrophobicContact CE3-CD1 4.37Å; W267-F513 VanDerWaalsContact O-CB 3.3Å; W267-F513 WeakPolarHBondContact O-CB 2.93Å; W267-F513 PolarHBondContact O-N 3.08Å; M338-F513 HydrophobicContact CE-CD1 4.35Å; P341-F513 HydrophobicContact CB-CE2 3.98Å; P341-F513 HydrophobicContact CB-CZ 3.65Å; K484-F513 HydrophobicContact CB-CE1 3.77Å; K484-F513 HydrophobicContact CB-CE2 4.14Å; K484-F513 HydrophobicContact CB-CZ 3.33Å; K484-F513 HydrophobicContact CD-CE1 3.57Å; K484-F513 HydrophobicContact CD-CZ 3.48Å; K484-F513 VanDerWaalsContact CD-CZ 3.48Å; K484-F513 HydrophobicContact CG-CE1 3.87Å; K484-F513 HydrophobicContact CG-CZ 3.82Å; G485-F513 WeakPolarHBondContact O-CD2 3.44Å; I486-F513 HydrophobicContact CG2-CD2 4.44Å
514	C	81.9	Confident	73.5	Confident	9 Å²	9	49.2 Å²	49.2	6%	0.061	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	148.8	176.5	55.2	0	0	0	0	111	C478 G485 I486 R487	C478-C514 WeakPolarHBondContact CA-SG 3.21Å; C478-C514 HydrophobicContact CB-CB 3.93Å; C478-C514 WeakPolarHBondContact CB-SG 3.17Å; C478-C514 WeakPolarHBondContact SG-CB 3.23Å; C478-C514 PolarHBondContact SG-O 2.96Å; C478-C514 CovalentContact SG-SG 2.04Å; C478-C514 PolarHBondContact SG-SG 2.81Å; G485-C514 PolarHBondContact N-O 3.13Å; G485-C514 PolarHBondContact O-N 2.79Å; I486-C514 PolarHBondContact N-SG 3.16Å; R487-C514 HydrophobicContact CG-CB 4.3Å
515	N	76.3	Confident	72.4	Confident	38 Å²	38	50.7 Å²	50.7	20%	0.203	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	132.8	166.8	-71.7	-18.9	0	0	0	109	W267 N386 K484	W267-N515 HydrophobicContact CH2-CB 3.9Å; W267-N515 WeakPolarHBondContact CH2-ND2 3.38Å; W267-N515 HydrophobicContact CZ3-CB 3.86Å; W267-N515 VanDerWaalsContact CZ3-ND2 3.26Å; W267-N515 WeakPolarHBondContact CZ3-ND2 3.46Å; N386-N515 WeakPolarHBondContact CB-ND2 3.37Å; K484-N515 WeakPolarHBondContact CG-OD1 3.37Å
516	A	69.9	Low	71.6	Confident	8 Å²	8	50 Å²	50	7%	0.066	28%	0.275	C	S	.	.			trans	-64.5	156.9	168.1	0	0	0	0	0	109.8	A480 T481 C482 G483 L518	A480-A516 VanDerWaalsContact O-CB 3.31Å; A480-A516 WeakPolarHBondContact O-CB 3.36Å; T481-A516 VanDerWaalsContact C-CB 3.44Å; C482-A516 VanDerWaalsContact CA-CB 3.47Å; G483-A516 WeakPolarHBondContact O-CB 3.39Å; G483-A516 PolarHBondContact O-N 3.37Å; A516-L518 CarbonylContact O-C 3.41Å; A516-L518 PolarHBondContact O-N 3.45Å; A516-L518 VanDerWaalsContact O-N 3.16Å
517	L	66.3	Low	70.4	Confident	131 Å²	131	49 Å²	49	69%	0.686	27%	0.272	S	S	*	.	S	Bend	trans	-55.3	-34.8	176.5	-66.4	173.1	0	0	0	112.5	T649	L517-T649 WeakPolarHBondContact CD1-O 3.21Å
518	L	67	Low	69.6	Low	101 Å²	101	49.7 Å²	49.7	53%	0.529	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-90.1	94	169.5	-75.5	153.4	0	0	0	108.9	C482 G483 A516 V520	C482-L518 CarbonylContact C-O 3.51Å; C482-L518 WeakPolarHBondContact CA-O 3.42Å; C482-L518 HydrophobicContact CB-CB 3.81Å; C482-L518 WeakPolarHBondContact CB-O 3.36Å; G483-L518 PolarHBondContact N-O 2.04Å; A516-L518 CarbonylContact O-C 3.41Å; A516-L518 PolarHBondContact O-N 3.45Å; A516-L518 VanDerWaalsContact O-N 3.16Å; L518-V520 PolarHBondContact O-N 3.5Å
519	S	65.9	Low	68.7	Low	52 Å²	52	49.6 Å²	49.6	36%	0.364	28%	0.276	S	S	.	.	S	Bend	trans	-62.9	-26.9	-178.9	58.3	0	0	0	0	113.8	G483	G483-S519 WeakPolarHBondContact CA-O 3.34Å
520	V	66	Low	68.2	Low	39 Å²	39	49.6 Å²	49.6	24%	0.236	27%	0.273	C	S	.	.	S	Bend	trans	-113.5	126.6	179.3	-175.7	0	0	0	0	109.9	P385 L518 N528	P385-V520 HydrophobicContact CB-CG2 4.46Å; P385-V520 HydrophobicContact CG-CG2 4.11Å; L518-V520 PolarHBondContact O-N 3.5Å; V520-N528 HydrophobicContact CG1-CB 3.94Å
521	C	64.6	Low	67.5	Low	11 Å²	11	49.4 Å²	49.4	7%	0.074	27%	0.273	C	S	.	.			trans	-89.3	108.6	171.2	-64.4	0	0	0	0	109.7	C482 G523 S524 F527	C482-C521 HydrophobicContact CB-CB 4.02Å; C482-C521 WeakPolarHBondContact CB-SG 3.14Å; C482-C521 PolarHBondContact O-SG 2.92Å; C482-C521 VanDerWaalsContact O-SG 3.37Å; C482-C521 WeakPolarHBondContact SG-CB 3.01Å; C482-C521 CovalentContact SG-SG 2.03Å; C482-C521 PolarHBondContact SG-SG 2.94Å; C521-G523 PolarHBondContact O-N 2.85Å; C521-G523 VanDerWaalsContact O-N 3.16Å; C521-S524 PolarHBondContact O-N 2.88Å; C521-S524 VanDerWaalsContact O-N 3.08Å; C521-F527 HydrophobicContact CB-CD2 3.91Å; C521-F527 WeakPolarHBondContact SG-CD2 3.28Å
522	H	60.8	Low	66.8	Low	180 Å²	180	46.8 Å²	46.8	83%	0.833	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	119.5	173.5	-68.6	-75.6	0	0	0	110.5
523	G	56	Low	66.2	Low	63 Å²	63	47.4 Å²	47.4	65%	0.649	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.4	3.6	-177.8	0	0	0	0	0	115.7	C521	C521-G523 PolarHBondContact O-N 2.85Å; C521-G523 VanDerWaalsContact O-N 3.16Å
524	S	57	Low	65.7	Low	31 Å²	31	48.8 Å²	48.8	22%	0.217	28%	0.282	C	S	.	.			trans	-113.1	131.8	174.2	-174.8	0	0	0	0	111.2	C521 N526	C521-S524 PolarHBondContact O-N 2.88Å; C521-S524 VanDerWaalsContact O-N 3.08Å; S524-N526 VanDerWaalsContact C-N 3.31Å; S524-N526 PolarHBondContact OG-N 2.82Å
525	E	58.8	Low	65.2	Low	50 Å²	50	53.4 Å²	53.4	23%	0.234	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-69.2	-32.1	174.2	-68.9	163.2	-155.4	0	0	112.3	F527 N528 R555 I568	E525-F527 PolarHBondContact O-N 2.87Å; E525-F527 VanDerWaalsContact O-N 3.09Å; E525-N528 PolarHBondContact O-N 3.48Å; E525-R555 VanDerWaalsContact CD-NH2 3.27Å; E525-R555 IonicContact OE1-CZ 3.12Å; E525-R555 IonicContact OE1-NH1 2.77Å; E525-R555 IonicContact OE1-NH2 2.66Å; E525-R555 PolarHBondContact OE1-NH2 2.99Å; E525-R555 IonicContact OE2-CZ 3.34Å; E525-R555 IonicContact OE2-NH1 2.71Å; E525-R555 PolarHBondContact OE2-NH1 3.1Å; E525-R555 IonicContact OE2-NH2 3.39Å; E525-R555 PolarHBondContact OE2-NH2 2.94Å; E525-I568 HydrophobicContact CG-CB 3.92Å; E525-I568 HydrophobicContact CG-CD1 3.68Å; E525-I568 HydrophobicContact CG-CG1 4.28Å; E525-I568 HydrophobicContact CG-CG2 3.67Å; E525-I568 VanDerWaalsContact OE1-CB 3.26Å; E525-I568 WeakPolarHBondContact OE1-CB 3.32Å; E525-I568 VanDerWaalsContact OE1-CD1 3.25Å; E525-I568 WeakPolarHBondContact OE1-CD1 3.04Å; E525-I568 WeakPolarHBondContact OE1-CG1 3.42Å
526	N	58.3	Low	65.1	Low	44 Å²	44	54.6 Å²	54.6	24%	0.235	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-65	-18.7	-170.1	-72.2	-15.6	0	0	0	113.5	S229 M383 S524	S229-N526 VanDerWaalsContact OG-CG 3.24Å; S229-N526 PolarHBondContact OG-ND2 3.01Å; S229-N526 PolarHBondContact OG-OD1 3.38Å; M383-N526 WeakPolarHBondContact CB-O 3.43Å; M383-N526 HydrophobicContact CE-CB 3.64Å; M383-N526 WeakPolarHBondContact CE-O 3.46Å; M383-N526 HydrophobicContact SD-CB 4Å; S524-N526 VanDerWaalsContact C-N 3.31Å; S524-N526 PolarHBondContact OG-N 2.82Å
527	F	56.5	Low	65.6	Low	15 Å²	15	56.5 Å²	56.5	7%	0.066	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-131.6	14.8	-172.7	-50.1	-74	0	0	0	112.8	L230 M383 P385 K484 C521 E525	L230-F527 HydrophobicContact CD1-CE2 4.38Å; L230-F527 HydrophobicContact CD1-CZ 3.71Å; M383-F527 HydrophobicContact CE-CD1 4Å; M383-F527 HydrophobicContact CE-CE1 3.43Å; M383-F527 VanDerWaalsContact CE-CE1 3.43Å; M383-F527 HydrophobicContact CE-CZ 3.85Å; P385-F527 WeakPolarHBondContact CG-O 3.48Å; K484-F527 HydrophobicContact CB-CD1 4.37Å; K484-F527 HydrophobicContact CB-CE1 3.9Å; K484-F527 HydrophobicContact CG-CD1 4.26Å; K484-F527 HydrophobicContact CG-CE1 4.29Å; C521-F527 HydrophobicContact CB-CD2 3.91Å; C521-F527 WeakPolarHBondContact SG-CD2 3.28Å; E525-F527 PolarHBondContact O-N 2.87Å; E525-F527 VanDerWaalsContact O-N 3.09Å
528	N	65.5	Low	66.2	Low	30 Å²	30	59 Å²	59	16%	0.16	34%	0.337	C	S	.	.			trans	-135.4	100.1	175.9	-169.6	-11.3	0	0	0	109.9	V520 E525 Q530 C531	V520-N528 HydrophobicContact CG1-CB 3.94Å; E525-N528 PolarHBondContact O-N 3.48Å; N528-Q530 PolarHBondContact O-N 3.43Å; N528-Q530 VanDerWaalsContact O-N 3.08Å; N528-Q530 VanDerWaalsContact OD1-CB 3.28Å; N528-Q530 WeakPolarHBondContact OD1-CB 3.27Å; N528-Q530 PolarHBondContact OD1-N 3.39Å; N528-C531 HydrophobicContact CB-CB 4.15Å; N528-C531 VanDerWaalsContact CG-SG 3.6Å; N528-C531 PolarHBondContact ND2-SG 3.33Å; N528-C531 WeakPolarHBondContact O-CA 3.37Å; N528-C531 PolarHBondContact O-N 3.03Å
529	D	61.2	Low	66.9	Low	37 Å²	37	57.3 Å²	57.3	20%	0.198	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-56.7	-25.5	178	-67.7	-27.6	0	0	0	112.7	T381 S384 P385 C531 A532	T381-D529 PolarHBondContact OG1-OD1 2.84Å; S384-D529 WeakPolarHBondContact CA-OD1 3.26Å; S384-D529 WeakPolarHBondContact CA-OD2 3.44Å; S384-D529 WeakPolarHBondContact CB-OD2 3.19Å; S384-D529 PolarHBondContact OG-OD1 3.41Å; S384-D529 VanDerWaalsContact OG-OD1 3.07Å; S384-D529 PolarHBondContact OG-OD2 2.99Å; P385-D529 WeakPolarHBondContact CD-OD2 3.47Å; D529-C531 VanDerWaalsContact C-N 3.32Å; D529-A532 WeakPolarHBondContact O-CB 3.49Å; D529-A532 PolarHBondContact O-N 3.34Å
530	Q	66.6	Low	67.6	Low	106 Å²	106	58.5 Å²	58.5	50%	0.495	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-71.8	-28.2	176.1	-57.8	-179.1	-11.7	0	0	112.3	N528 A562	N528-Q530 PolarHBondContact O-N 3.43Å; N528-Q530 VanDerWaalsContact O-N 3.08Å; N528-Q530 VanDerWaalsContact OD1-CB 3.28Å; N528-Q530 WeakPolarHBondContact OD1-CB 3.27Å; N528-Q530 PolarHBondContact OD1-N 3.39Å; Q530-A562 WeakPolarHBondContact O-CB 3.44Å
531	C	68	Low	68.2	Low	7 Å²	7	65 Å²	65	5%	0.047	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-93.3	10.3	178.9	-56.2	0	0	0	0	113.2	N528 D529 A533 Y557 C566 I568	N528-C531 HydrophobicContact CB-CB 4.15Å; N528-C531 VanDerWaalsContact CG-SG 3.6Å; N528-C531 PolarHBondContact ND2-SG 3.33Å; N528-C531 WeakPolarHBondContact O-CA 3.37Å; N528-C531 PolarHBondContact O-N 3.03Å; D529-C531 VanDerWaalsContact C-N 3.32Å; C531-A533 PolarHBondContact O-N 3.49Å; C531-Y557 HydrophobicContact CB-CE1 4.49Å; C531-C566 WeakPolarHBondContact CA-SG 3.46Å; C531-C566 HydrophobicContact CB-CB 3.77Å; C531-C566 WeakPolarHBondContact CB-SG 3.2Å; C531-C566 WeakPolarHBondContact SG-CB 3.29Å; C531-C566 CovalentContact SG-SG 2.03Å; C531-C566 PolarHBondContact SG-SG 2.74Å; C531-I568 HydrophobicContact CB-CG2 4.37Å
532	A	67	Low	68.9	Low	25 Å²	25	65.9 Å²	65.9	21%	0.207	36%	0.363	C	S	.	.			trans	-57.2	131.5	-179.7	0	0	0	0	0	111.3	D529 L558	D529-A532 WeakPolarHBondContact O-CB 3.49Å; D529-A532 PolarHBondContact O-N 3.34Å; A532-L558 HydrophobicContact CB-CD1 4.01Å; A532-L558 WeakPolarHBondContact O-CB 3.49Å; A532-L558 PolarHBondContact O-N 2.94Å
533	A	71.5	Confident	70	Confident	16 Å²	16	61.9 Å²	61.9	13%	0.132	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-111.8	156.4	-179.5	0	0	0	0	0	111.1	C531 N556 I568	C531-A533 PolarHBondContact O-N 3.49Å; A533-N556 CarbonylContact C-O 3.57Å; A533-N556 WeakPolarHBondContact CA-O 3.06Å; A533-I568 HydrophobicContact CB-CD1 3.72Å
534	S	75	Confident	70.7	Confident	32 Å²	32	59.9 Å²	59.9	22%	0.224	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-60.9	158.2	172.1	71.5	0	0	0	0	110.6	N556	S534-N556 PolarHBondContact N-O 3.01Å; S534-N556 PolarHBondContact OG-N 2.83Å; S534-N556 PolarHBondContact OG-O 3.48Å
535	P	71.2	Confident	71.2	Confident	105 Å²	105	66.9 Å²	66.9	68%	0.682	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-50.2	147.8	164.5	-23.7	33.2	0	0	0	110.2	A537	P535-A537 PolarHBondContact O-N 3.48Å
536	W	74.6	Confident	71.6	Confident	63 Å²	63	67.9 Å²	67.9	24%	0.239	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-59.3	135.4	172.8	-76.1	105.9	0	0	0	110.4	R553 R555 Q569 L570 E572	W536-R553 HydrophobicContact CD2-CG 3.95Å; W536-R553 HydrophobicContact CE3-CB 4.07Å; W536-R553 HydrophobicContact CE3-CG 3.51Å; W536-R553 HydrophobicContact CG-CG 4.44Å; W536-R553 HydrophobicContact CZ3-CG 3.96Å; W536-R553 VanDerWaalsContact CZ3-O 3.29Å; W536-R553 WeakPolarHBondContact CZ3-O 3.35Å; W536-R555 HydrophobicContact CD2-CB 4.31Å; W536-R555 HydrophobicContact CD2-CG 4.02Å; W536-R555 VanDerWaalsContact CE2-CZ 3.49Å; W536-R555 HydrophobicContact CE3-CB 3.92Å; W536-R555 HydrophobicContact CE3-CG 3.69Å; W536-R555 HydrophobicContact CH2-CG 4.02Å; W536-R555 HydrophobicContact CZ2-CG 4.31Å; W536-R555 HydrophobicContact CZ3-CB 4.32Å; W536-R555 HydrophobicContact CZ3-CG 3.7Å; W536-Q569 WeakPolarHBondContact CH2-O 3.34Å; W536-L570 WeakPolarHBondContact CZ3-O 3.34Å; W536-E572 HydrophobicContact CH2-CB 3.54Å; W536-E572 HydrophobicContact CZ2-CB 3.97Å; W536-E572 WeakPolarHBondContact CZ2-OE2 3.45Å; W536-E572 HydrophobicContact CZ3-CB 3.97Å
537	A	79.8	Confident	72.2	Confident	48 Å²	48	67 Å²	67	40%	0.397	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-56.6	157.5	164.8	0	0	0	0	0	109.8	P535 W539 V554	P535-A537 PolarHBondContact O-N 3.48Å; A537-W539 PolarHBondContact O-N 3.02Å; A537-V554 HydrophobicContact CB-CG2 4.35Å; A537-V554 WeakPolarHBondContact CB-O 3.39Å; A537-V554 PolarHBondContact N-O 3.44Å
538	Q	79.3	Confident	73.4	Confident	184 Å²	184	73.7 Å²	73.7	86%	0.86	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-54.2	142	171.9	-68.4	-173.2	-21.9	0	0	109.6	T540	Q538-T540 PolarHBondContact O-N 3.34Å
539	W	80.5	Confident	74.2	Confident	65 Å²	65	72.7 Å²	72.7	25%	0.246	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-54.8	137.3	172	-75.3	107.4	0	0	0	109.5	A537 R551 S552 R553 E572 E574	A537-W539 PolarHBondContact O-N 3.02Å; W539-R551 HydrophobicContact CD2-CG 4.04Å; W539-R551 HydrophobicContact CE3-CB 4Å; W539-R551 HydrophobicContact CE3-CG 3.54Å; W539-R551 HydrophobicContact CZ3-CG 3.95Å; W539-R551 VanDerWaalsContact CZ3-O 3.31Å; W539-R551 WeakPolarHBondContact CZ3-O 3.05Å; W539-S552 VanDerWaalsContact CE3-C 3.48Å; W539-R553 HydrophobicContact CD2-CB 4.14Å; W539-R553 HydrophobicContact CD2-CG 4.01Å; W539-R553 VanDerWaalsContact CE2-CD 3.43Å; W539-R553 HydrophobicContact CE3-CB 3.85Å; W539-R553 HydrophobicContact CE3-CG 3.72Å; W539-R553 HydrophobicContact CH2-CG 3.77Å; W539-R553 VanDerWaalsContact CZ2-CD 3.48Å; W539-R553 HydrophobicContact CZ2-CG 4.05Å; W539-R553 VanDerWaalsContact CZ2-NE 3.26Å; W539-R553 HydrophobicContact CZ3-CB 4.19Å; W539-R553 HydrophobicContact CZ3-CG 3.6Å; W539-E572 HydrophobicContact CH2-CB 4.49Å; W539-E572 HydrophobicContact CH2-CG 4.06Å; W539-E574 HydrophobicContact CH2-CB 3.54Å; W539-E574 HydrophobicContact CZ2-CB 4.21Å; W539-E574 HydrophobicContact CZ3-CB 3.91Å
540	T	80.9	Confident	75.5	Confident	78 Å²	78	75.3 Å²	75.3	48%	0.479	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-59.5	154.9	164	62.1	0	0	0	0	109.5	Q538 R551 S552	Q538-T540 PolarHBondContact O-N 3.34Å; T540-R551 WeakPolarHBondContact O-CB 3.35Å; T540-S552 WeakPolarHBondContact CG2-O 3.31Å; T540-S552 PolarHBondContact N-O 2.97Å; T540-S552 PolarHBondContact OG1-N 3.18Å; T540-S552 PolarHBondContact OG1-O 3.18Å
541	E	80.1	Confident	76.4	Confident	174 Å²	174	74.2 Å²	74.2	81%	0.813	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-50.4	149	166.7	-68.4	-62.7	155.7	0	0	110.9	S543	E541-S543 PolarHBondContact O-N 3.41Å
542	C	78.8	Confident	77.3	Confident	31 Å²	31	75.8 Å²	75.8	21%	0.209	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-61.6	130.8	177.4	-167.6	0	0	0	0	109.2	A544 C576	C542-A544 PolarHBondContact O-N 2.78Å; C542-C576 WeakPolarHBondContact CA-SG 3.49Å; C542-C576 HydrophobicContact CB-CB 4.03Å; C542-C576 WeakPolarHBondContact CB-SG 3.38Å; C542-C576 WeakPolarHBondContact SG-CB 3.32Å; C542-C576 CovalentContact SG-SG 2.05Å; C542-C576 PolarHBondContact SG-SG 3.32Å
543	S	83.2	Confident	78.1	Confident	95 Å²	95	77.3 Å²	77.3	66%	0.664	42%	0.415	S	S	*	.	S	Bend	trans	-60.6	-21.8	-178.5	72.1	0	0	0	0	112.9	E541 G549 M550	E541-S543 PolarHBondContact O-N 3.41Å; S543-G549 WeakPolarHBondContact OG-CA 3.5Å; S543-M550 WeakPolarHBondContact CB-O 3.44Å; S543-M550 PolarHBondContact N-O 2.98Å; S543-M550 PolarHBondContact OG-N 2.8Å; S543-M550 PolarHBondContact OG-O 2.67Å
544	A	71.5	Confident	78.8	Confident	21 Å²	21	80.4 Å²	80.4	17%	0.174	43%	0.432	C	S	.	.			trans	-112.4	136.4	175.8	0	0	0	0	0	110.6	C542 G578	C542-A544 PolarHBondContact O-N 2.78Å; A544-G578 WeakPolarHBondContact O-CA 3.22Å
545	K	66.4	Low	79.1	Confident	179 Å²	179	80.3 Å²	80.3	78%	0.778	43%	0.426	S	S	*	.	S	Bend	trans	-80.7	-24	175.1	-65.8	-173.9	177.9	-176.8	0	113.1	G578 S579 A580	K545-G578 CarbonylContact O-C 3.31Å; K545-G578 WeakPolarHBondContact O-CA 3.25Å; K545-S579 PolarHBondContact O-N 2.61Å; K545-A580 PolarHBondContact O-N 3.05Å
546	C	67.2	Low	79.6	Confident	71 Å²	71	80.8 Å²	80.8	48%	0.48	42%	0.423	S	S	.	.	S	Bend	trans	-143	152	171.7	62	0	0	0	0	109.3	A580	C546-A580 HydrophobicContact CB-CB 3.87Å
547	G	70.8	Confident	79.8	Confident	24 Å²	24	79 Å²	79	25%	0.247	42%	0.416	C	S	.	.	S	Bend	trans	72.2	-164.1	-177.7	0	0	0	0	0	113.3	T577 G578 G581	G547-T577 WeakPolarHBondContact O-CA 3.39Å; G547-G578 PolarHBondContact O-N 3.3Å; G547-G581 PolarHBondContact N-O 3.22Å
548	Q	81.9	Confident	79.3	Confident	157 Å²	157	81.2 Å²	81.2	73%	0.734	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	126.9	-178.2	-64.4	179.6	8.5	0	0	110.9
549	G	83.3	Confident	78.9	Confident	8 Å²	8	75.9 Å²	75.9	8%	0.082	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	-173.2	168.8	0	0	0	0	0	110.5	S543 N575 C576	S543-G549 WeakPolarHBondContact OG-CA 3.5Å; G549-N575 CarbonylContact O-C 3.54Å; G549-N575 WeakPolarHBondContact O-CA 3.08Å; G549-C576 PolarHBondContact N-O 3.29Å; G549-C576 PolarHBondContact O-N 2.97Å; G549-C576 VanDerWaalsContact O-O 3.12Å
550	M	87.4	Confident	78.3	Confident	93 Å²	93	77.7 Å²	77.7	46%	0.458	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	146	173	-62.6	179.5	81.2	0	0	109	S543 N573 E574	S543-M550 WeakPolarHBondContact CB-O 3.44Å; S543-M550 PolarHBondContact N-O 2.98Å; S543-M550 PolarHBondContact OG-N 2.8Å; S543-M550 PolarHBondContact OG-O 2.67Å; M550-N573 HydrophobicContact CE-CB 4.06Å; M550-E574 CarbonylContact C-O 3.53Å; M550-E574 VanDerWaalsContact CA-O 3.31Å; M550-E574 WeakPolarHBondContact CA-O 3.42Å
551	R	86.6	Confident	77.8	Confident	82 Å²	82	81.4 Å²	81.4	31%	0.309	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	149.8	167.8	57.4	178.9	-172.5	-172.2	-1.7	108.9	W539 T540 N573 E574 C576	W539-R551 HydrophobicContact CD2-CG 4.04Å; W539-R551 HydrophobicContact CE3-CB 4Å; W539-R551 HydrophobicContact CE3-CG 3.54Å; W539-R551 HydrophobicContact CZ3-CG 3.95Å; W539-R551 VanDerWaalsContact CZ3-O 3.31Å; W539-R551 WeakPolarHBondContact CZ3-O 3.05Å; T540-R551 WeakPolarHBondContact O-CB 3.35Å; R551-N573 WeakPolarHBondContact O-CA 3.3Å; R551-E574 HydrophobicContact CG-CB 4.35Å; R551-E574 IonicContact CZ-OE2 2.7Å; R551-E574 PolarHBondContact N-O 2.85Å; R551-E574 IonicContact NE-OE2 2.71Å; R551-E574 PolarHBondContact NE-OE2 3.45Å; R551-E574 IonicContact NH2-OE1 3.1Å; R551-E574 IonicContact NH2-OE2 3.82Å; R551-E574 PolarHBondContact NH2-OE2 3.18Å; R551-E574 PolarHBondContact O-N 2.94Å; R551-C576 HydrophobicContact CG-CB 4.04Å
552	S	85.9	Confident	77.1	Confident	41 Å²	41	73.1 Å²	73.1	29%	0.287	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	152	-177.2	-62.6	0	0	0	0	110.3	W539 T540 E572 N573	W539-S552 VanDerWaalsContact CE3-C 3.48Å; T540-S552 WeakPolarHBondContact CG2-O 3.31Å; T540-S552 PolarHBondContact N-O 2.97Å; T540-S552 PolarHBondContact OG1-N 3.18Å; T540-S552 PolarHBondContact OG1-O 3.18Å; S552-E572 CarbonylContact C-O 3.55Å; S552-E572 VanDerWaalsContact CA-O 3.28Å; S552-E572 WeakPolarHBondContact CA-O 3.25Å; S552-N573 WeakPolarHBondContact CB-OD1 3.12Å; S552-N573 PolarHBondContact OG-OD1 3.38Å
553	R	84.1	Confident	76.5	Confident	57 Å²	57	77 Å²	77	22%	0.215	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	152.9	167.9	59.1	-178.9	-173.9	-172.6	-5.3	109.5	W536 W539 E572	W536-R553 HydrophobicContact CD2-CG 3.95Å; W536-R553 HydrophobicContact CE3-CB 4.07Å; W536-R553 HydrophobicContact CE3-CG 3.51Å; W536-R553 HydrophobicContact CG-CG 4.44Å; W536-R553 HydrophobicContact CZ3-CG 3.96Å; W536-R553 VanDerWaalsContact CZ3-O 3.29Å; W536-R553 WeakPolarHBondContact CZ3-O 3.35Å; W539-R553 HydrophobicContact CD2-CB 4.14Å; W539-R553 HydrophobicContact CD2-CG 4.01Å; W539-R553 VanDerWaalsContact CE2-CD 3.43Å; W539-R553 HydrophobicContact CE3-CB 3.85Å; W539-R553 HydrophobicContact CE3-CG 3.72Å; W539-R553 HydrophobicContact CH2-CG 3.77Å; W539-R553 VanDerWaalsContact CZ2-CD 3.48Å; W539-R553 HydrophobicContact CZ2-CG 4.05Å; W539-R553 VanDerWaalsContact CZ2-NE 3.26Å; W539-R553 HydrophobicContact CZ3-CB 4.19Å; W539-R553 HydrophobicContact CZ3-CG 3.6Å; R553-E572 HydrophobicContact CG-CB 4.07Å; R553-E572 IonicContact CZ-OE2 3.79Å; R553-E572 PolarHBondContact N-O 3.18Å; R553-E572 IonicContact NE-OE2 3.3Å; R553-E572 PolarHBondContact NE-OE2 3.21Å; R553-E572 IonicContact NH2-OE1 2.77Å; R553-E572 PolarHBondContact NH2-OE1 2.94Å; R553-E572 IonicContact NH2-OE2 3.54Å; R553-E572 PolarHBondContact NH2-OE2 3.38Å; R553-E572 PolarHBondContact O-N 2.97Å
554	V	86.1	Confident	75.8	Confident	80 Å²	80	82.1 Å²	82.1	49%	0.485	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	154.6	-177.2	-58.2	0	0	0	0	110.8	A537 L570 T571	A537-V554 HydrophobicContact CB-CG2 4.35Å; A537-V554 WeakPolarHBondContact CB-O 3.39Å; A537-V554 PolarHBondContact N-O 3.44Å; V554-L570 WeakPolarHBondContact CA-O 3.26Å; V554-T571 HydrophobicContact CG1-CG2 4Å
555	R	82.5	Confident	75.5	Confident	31 Å²	31	88.2 Å²	88.2	12%	0.117	45%	0.447	C	S	.	.			trans	-150.6	165.1	172.7	62.8	-178.6	170.8	168.6	-1.4	110.1	E525 W536 Q569 L570	E525-R555 VanDerWaalsContact CD-NH2 3.27Å; E525-R555 IonicContact OE1-CZ 3.12Å; E525-R555 IonicContact OE1-NH1 2.77Å; E525-R555 IonicContact OE1-NH2 2.66Å; E525-R555 PolarHBondContact OE1-NH2 2.99Å; E525-R555 IonicContact OE2-CZ 3.34Å; E525-R555 IonicContact OE2-NH1 2.71Å; E525-R555 PolarHBondContact OE2-NH1 3.1Å; E525-R555 IonicContact OE2-NH2 3.39Å; E525-R555 PolarHBondContact OE2-NH2 2.94Å; W536-R555 HydrophobicContact CD2-CB 4.31Å; W536-R555 HydrophobicContact CD2-CG 4.02Å; W536-R555 VanDerWaalsContact CE2-CZ 3.49Å; W536-R555 HydrophobicContact CE3-CB 3.92Å; W536-R555 HydrophobicContact CE3-CG 3.69Å; W536-R555 HydrophobicContact CH2-CG 4.02Å; W536-R555 HydrophobicContact CZ2-CG 4.31Å; W536-R555 HydrophobicContact CZ3-CB 4.32Å; W536-R555 HydrophobicContact CZ3-CG 3.7Å; R555-Q569 PolarHBondContact NE-O 3.04Å; R555-Q569 VanDerWaalsContact NE-O 3.1Å; R555-Q569 PolarHBondContact NH2-O 3.22Å; R555-L570 HydrophobicContact CG-CD2 4.46Å; R555-L570 PolarHBondContact N-O 3.41Å; R555-L570 WeakPolarHBondContact O-CB 3Å
556	N	81.3	Confident	75.5	Confident	114 Å²	114	80 Å²	80	61%	0.61	41%	0.412	S	S	*	.			trans	-124.8	158.7	-178.1	-62.6	-39	0	0	0	110.7	A533 S534	A533-N556 CarbonylContact C-O 3.57Å; A533-N556 WeakPolarHBondContact CA-O 3.06Å; S534-N556 PolarHBondContact N-O 3.01Å; S534-N556 PolarHBondContact OG-N 2.83Å; S534-N556 PolarHBondContact OG-O 3.48Å
557	Y	77.3	Confident	75.5	Confident	25 Å²	25	82.1 Å²	82.1	10%	0.098	43%	0.427	C	S	.	.	B	Isolated β-bridge	trans	-63.6	139.3	168.8	-70.4	-77.3	0	0	0	110.9	C531 N559 A562 I563 C566 I568 L570	C531-Y557 HydrophobicContact CB-CE1 4.49Å; Y557-N559 VanDerWaalsContact C-N 3.32Å; Y557-N559 WeakPolarHBondContact CB-O 3.1Å; Y557-A562 HydrophobicContact CD1-CB 3.69Å; Y557-A562 HydrophobicContact CE1-CB 4.11Å; Y557-A562 HydrophobicContact CG-CB 4Å; Y557-I563 HydrophobicContact CD2-CD1 4.41Å; Y557-I563 HydrophobicContact CD2-CG1 3.45Å; Y557-I563 VanDerWaalsContact CD2-CG1 3.45Å; Y557-I563 HydrophobicContact CE2-CB 4.45Å; Y557-I563 HydrophobicContact CE2-CG1 3.74Å; Y557-I563 HydrophobicContact CG-CG1 4.43Å; Y557-C566 HydrophobicContact CE1-CB 3.65Å; Y557-C566 VanDerWaalsContact OH-C 3.29Å; Y557-C566 WeakPolarHBondContact OH-CB 3.31Å; Y557-C566 PolarHBondContact OH-O 2.03Å; Y557-I568 HydrophobicContact CD1-CD1 3.69Å; Y557-I568 HydrophobicContact CE1-CB 4.48Å; Y557-I568 HydrophobicContact CE1-CD1 3.13Å; Y557-I568 HydrophobicContact CE1-CG1 3.63Å; Y557-I568 HydrophobicContact CE1-CG2 4.23Å; Y557-I568 HydrophobicContact CE2-CG1 4.46Å; Y557-I568 VanDerWaalsContact OH-CG1 3.3Å; Y557-I568 WeakPolarHBondContact OH-CG1 3.38Å; Y557-I568 PolarHBondContact OH-N 3.08Å; Y557-I568 VanDerWaalsContact OH-N 3.08Å; Y557-L570 HydrophobicContact CD2-CD1 4.08Å; Y557-L570 HydrophobicContact CD2-CD2 4.02Å; Y557-L570 HydrophobicContact CE2-CD1 3.8Å; Y557-L570 HydrophobicContact CE2-CD2 3.91Å; Y557-L570 HydrophobicContact CE2-CG 4.19Å; Y557-L570 HydrophobicContact CG-CD2 4.49Å
558	L	69.8	Low	75.4	Confident	95 Å²	95	82 Å²	82	50%	0.497	42%	0.42	S	S	.	.	S	Bend	trans	-69	-34.9	171.1	-69.2	174.7	0	0	0	111.1	A532	A532-L558 HydrophobicContact CB-CD1 4.01Å; A532-L558 WeakPolarHBondContact O-CB 3.49Å; A532-L558 PolarHBondContact O-N 2.94Å
559	N	70.6	Confident	75.1	Confident	73 Å²	73	81.3 Å²	81.3	39%	0.39	42%	0.417	S	S	.	.	S	Bend	trans	-101.9	114.6	172	-175.6	-8.7	0	0	0	110.5	Y557 M561 A562	Y557-N559 VanDerWaalsContact C-N 3.32Å; Y557-N559 WeakPolarHBondContact CB-O 3.1Å; N559-M561 PolarHBondContact O-N 2.65Å; N559-M561 VanDerWaalsContact O-N 3.16Å; N559-M561 PolarHBondContact OD1-N 2.59Å; N559-A562 HydrophobicContact CB-CB 4.39Å; N559-A562 WeakPolarHBondContact O-CB 3.49Å; N559-A562 PolarHBondContact O-N 3.45Å
560	P	68.4	Low	74.9	Confident	102 Å²	102	83.4 Å²	83.4	66%	0.662	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-58.5	-28.6	179	-23.1	32.3	0	0	0	114.2	A562	P560-A562 PolarHBondContact O-N 2.72Å
561	M	70.2	Confident	74.5	Confident	156 Å²	156	83.4 Å²	83.4	77%	0.768	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-73.8	-14.6	179.8	-68.6	-172.7	-178.9	0	0	113.3	N559 I563	N559-M561 PolarHBondContact O-N 2.65Å; N559-M561 VanDerWaalsContact O-N 3.16Å; N559-M561 PolarHBondContact OD1-N 2.59Å; M561-I563 PolarHBondContact O-N 3.19Å
562	A	65.9	Low	74.6	Confident	1 Å²	1	82.2 Å²	82.2	1%	0.008	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-64.9	-26	-177.3	0	0	0	0	0	113.4	Q530 Y557 N559 P560 K564 Q565 C566	Q530-A562 WeakPolarHBondContact O-CB 3.44Å; Y557-A562 HydrophobicContact CD1-CB 3.69Å; Y557-A562 HydrophobicContact CE1-CB 4.11Å; Y557-A562 HydrophobicContact CG-CB 4Å; N559-A562 HydrophobicContact CB-CB 4.39Å; N559-A562 WeakPolarHBondContact O-CB 3.49Å; N559-A562 PolarHBondContact O-N 3.45Å; P560-A562 PolarHBondContact O-N 2.72Å; A562-K564 PolarHBondContact O-N 3.11Å; A562-Q565 PolarHBondContact O-N 2.03Å; A562-C566 HydrophobicContact CB-CB 4.5Å; A562-C566 VanDerWaalsContact O-CB 3.25Å; A562-C566 WeakPolarHBondContact O-CB 3.17Å; A562-C566 PolarHBondContact O-N 3.37Å; A562-C566 PolarHBondContact O-SG 3.34Å
563	I	67	Low	74.6	Confident	113 Å²	113	85 Å²	85	58%	0.579	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-55	-30.2	-177.4	-64	167.1	0	0	0	112.3	Y557 M561	Y557-I563 HydrophobicContact CD2-CD1 4.41Å; Y557-I563 HydrophobicContact CD2-CG1 3.45Å; Y557-I563 VanDerWaalsContact CD2-CG1 3.45Å; Y557-I563 HydrophobicContact CE2-CB 4.45Å; Y557-I563 HydrophobicContact CE2-CG1 3.74Å; Y557-I563 HydrophobicContact CG-CG1 4.43Å; M561-I563 PolarHBondContact O-N 3.19Å
564	K	68.4	Low	74.7	Confident	202 Å²	202	86 Å²	86	88%	0.878	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-77	-27.9	-179.5	-70	-174.4	179.4	179.8	0	113.9	A562	A562-K564 PolarHBondContact O-N 3.11Å
565	Q	65	Low	74.5	Confident	149 Å²	149	87.6 Å²	87.6	70%	0.696	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	-22.6	-173.3	-71.5	177	-22.5	0	0	112.8	A562	A562-Q565 PolarHBondContact O-N 2.03Å
566	C	65.2	Low	74.2	Confident	7 Å²	7	86.9 Å²	86.9	5%	0.047	45%	0.454	C	S	.	.			trans	-111.3	134.6	-174.3	-54.8	0	0	0	0	109.9	C531 Y557 A562 I568	C531-C566 WeakPolarHBondContact CA-SG 3.46Å; C531-C566 HydrophobicContact CB-CB 3.77Å; C531-C566 WeakPolarHBondContact CB-SG 3.2Å; C531-C566 WeakPolarHBondContact SG-CB 3.29Å; C531-C566 CovalentContact SG-SG 2.03Å; C531-C566 PolarHBondContact SG-SG 2.74Å; Y557-C566 HydrophobicContact CE1-CB 3.65Å; Y557-C566 VanDerWaalsContact OH-C 3.29Å; Y557-C566 WeakPolarHBondContact OH-CB 3.31Å; Y557-C566 PolarHBondContact OH-O 2.03Å; A562-C566 HydrophobicContact CB-CB 4.5Å; A562-C566 VanDerWaalsContact O-CB 3.25Å; A562-C566 WeakPolarHBondContact O-CB 3.17Å; A562-C566 PolarHBondContact O-N 3.37Å; A562-C566 PolarHBondContact O-SG 3.34Å; C566-I568 HydrophobicContact CB-CG2 4.38Å
567	S	67.9	Low	73.7	Confident	114 Å²	114	84.5 Å²	84.5	80%	0.797	44%	0.444	S	S	*	.			trans	-120.9	77.1	172.9	-58	0	0	0	0	108.7
568	I	69.4	Low	73	Confident	21 Å²	21	83.4 Å²	83.4	11%	0.108	44%	0.44	C	S	.	.			trans	-104.5	160.9	180	83.2	-171	0	0	0	110.3	E525 C531 A533 Y557 C566 L570	E525-I568 HydrophobicContact CG-CB 3.92Å; E525-I568 HydrophobicContact CG-CD1 3.68Å; E525-I568 HydrophobicContact CG-CG1 4.28Å; E525-I568 HydrophobicContact CG-CG2 3.67Å; E525-I568 VanDerWaalsContact OE1-CB 3.26Å; E525-I568 WeakPolarHBondContact OE1-CB 3.32Å; E525-I568 VanDerWaalsContact OE1-CD1 3.25Å; E525-I568 WeakPolarHBondContact OE1-CD1 3.04Å; E525-I568 WeakPolarHBondContact OE1-CG1 3.42Å; C531-I568 HydrophobicContact CB-CG2 4.37Å; A533-I568 HydrophobicContact CB-CD1 3.72Å; Y557-I568 HydrophobicContact CD1-CD1 3.69Å; Y557-I568 HydrophobicContact CE1-CB 4.48Å; Y557-I568 HydrophobicContact CE1-CD1 3.13Å; Y557-I568 HydrophobicContact CE1-CG1 3.63Å; Y557-I568 HydrophobicContact CE1-CG2 4.23Å; Y557-I568 HydrophobicContact CE2-CG1 4.46Å; Y557-I568 VanDerWaalsContact OH-CG1 3.3Å; Y557-I568 WeakPolarHBondContact OH-CG1 3.38Å; Y557-I568 PolarHBondContact OH-N 3.08Å; Y557-I568 VanDerWaalsContact OH-N 3.08Å; C566-I568 HydrophobicContact CB-CG2 4.38Å; I568-L570 HydrophobicContact CD1-CD2 3.94Å; I568-L570 HydrophobicContact CG1-CD2 3.82Å; I568-L570 HydrophobicContact CG1-CG 4.38Å; I568-L570 PolarHBondContact O-N 2.84Å
569	Q	74.4	Confident	72.7	Confident	144 Å²	144	84.8 Å²	84.8	67%	0.673	46%	0.458	S	S	*	.			trans	-77.2	108	176	-69.5	-175.5	-17.4	0	0	110.8	W536 R555	W536-Q569 WeakPolarHBondContact CH2-O 3.34Å; R555-Q569 PolarHBondContact NE-O 3.04Å; R555-Q569 VanDerWaalsContact NE-O 3.1Å; R555-Q569 PolarHBondContact NH2-O 3.22Å
570	L	79.6	Confident	71.8	Confident	51 Å²	51	83.8 Å²	83.8	27%	0.267	46%	0.46	S	S	.	.			trans	-89.4	-15.6	176.3	-62.8	-179.7	0	0	0	113.3	W536 V554 R555 Y557 I568	W536-L570 WeakPolarHBondContact CZ3-O 3.34Å; V554-L570 WeakPolarHBondContact CA-O 3.26Å; R555-L570 HydrophobicContact CG-CD2 4.46Å; R555-L570 PolarHBondContact N-O 3.41Å; R555-L570 WeakPolarHBondContact O-CB 3Å; Y557-L570 HydrophobicContact CD2-CD1 4.08Å; Y557-L570 HydrophobicContact CD2-CD2 4.02Å; Y557-L570 HydrophobicContact CE2-CD1 3.8Å; Y557-L570 HydrophobicContact CE2-CD2 3.91Å; Y557-L570 HydrophobicContact CE2-CG 4.19Å; Y557-L570 HydrophobicContact CG-CD2 4.49Å; I568-L570 HydrophobicContact CD1-CD2 3.94Å; I568-L570 HydrophobicContact CG1-CD2 3.82Å; I568-L570 HydrophobicContact CG1-CG 4.38Å; I568-L570 PolarHBondContact O-N 2.84Å
571	T	80.1	Confident	71	Confident	93 Å²	93	80.1 Å²	80.1	57%	0.571	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.4	128.6	-179.3	59.4	0	0	0	0	109.2	V554	V554-T571 HydrophobicContact CG1-CG2 4Å
572	E	87	Confident	70.4	Confident	57 Å²	57	78.8 Å²	78.8	27%	0.266	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	136.4	178.5	-171.7	-179.4	177.1	0	0	109.9	W536 W539 S552 R553	W536-E572 HydrophobicContact CH2-CB 3.54Å; W536-E572 HydrophobicContact CZ2-CB 3.97Å; W536-E572 WeakPolarHBondContact CZ2-OE2 3.45Å; W536-E572 HydrophobicContact CZ3-CB 3.97Å; W539-E572 HydrophobicContact CH2-CB 4.49Å; W539-E572 HydrophobicContact CH2-CG 4.06Å; S552-E572 CarbonylContact C-O 3.55Å; S552-E572 VanDerWaalsContact CA-O 3.28Å; S552-E572 WeakPolarHBondContact CA-O 3.25Å; R553-E572 HydrophobicContact CG-CB 4.07Å; R553-E572 IonicContact CZ-OE2 3.79Å; R553-E572 PolarHBondContact N-O 3.18Å; R553-E572 IonicContact NE-OE2 3.3Å; R553-E572 PolarHBondContact NE-OE2 3.21Å; R553-E572 IonicContact NH2-OE1 2.77Å; R553-E572 PolarHBondContact NH2-OE1 2.94Å; R553-E572 IonicContact NH2-OE2 3.54Å; R553-E572 PolarHBondContact NH2-OE2 3.38Å; R553-E572 PolarHBondContact O-N 2.97Å
573	N	86.3	Confident	69.7	Low	100 Å²	100	85.8 Å²	85.8	54%	0.535	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	127.6	178.4	-63.4	-25	0	0	0	108.5	M550 R551 S552	M550-N573 HydrophobicContact CE-CB 4.06Å; R551-N573 WeakPolarHBondContact O-CA 3.3Å; S552-N573 WeakPolarHBondContact CB-OD1 3.12Å; S552-N573 PolarHBondContact OG-OD1 3.38Å
574	E	86	Confident	68.7	Low	77 Å²	77	84.3 Å²	84.3	36%	0.36	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	142.6	179.6	-173.8	-172.9	-154.3	0	0	109.9	W539 M550 R551 C576	W539-E574 HydrophobicContact CH2-CB 3.54Å; W539-E574 HydrophobicContact CZ2-CB 4.21Å; W539-E574 HydrophobicContact CZ3-CB 3.91Å; M550-E574 CarbonylContact C-O 3.53Å; M550-E574 VanDerWaalsContact CA-O 3.31Å; M550-E574 WeakPolarHBondContact CA-O 3.42Å; R551-E574 HydrophobicContact CG-CB 4.35Å; R551-E574 IonicContact CZ-OE2 2.7Å; R551-E574 PolarHBondContact N-O 2.85Å; R551-E574 IonicContact NE-OE2 2.71Å; R551-E574 PolarHBondContact NE-OE2 3.45Å; R551-E574 IonicContact NH2-OE1 3.1Å; R551-E574 IonicContact NH2-OE2 3.82Å; R551-E574 PolarHBondContact NH2-OE2 3.18Å; R551-E574 PolarHBondContact O-N 2.94Å; E574-C576 PolarHBondContact O-N 2.98Å
575	N	83.1	Confident	67.5	Low	115 Å²	115	81.8 Å²	81.8	62%	0.615	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	123.2	169.9	-71.8	-0.6	0	0	0	109.4	G549	G549-N575 CarbonylContact O-C 3.54Å; G549-N575 WeakPolarHBondContact O-CA 3.08Å
576	C	76.6	Confident	66.3	Low	16 Å²	16	80.8 Å²	80.8	11%	0.108	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	159.3	175.9	53.8	0	0	0	0	110.9	C542 G549 R551 E574	C542-C576 WeakPolarHBondContact CA-SG 3.49Å; C542-C576 HydrophobicContact CB-CB 4.03Å; C542-C576 WeakPolarHBondContact CB-SG 3.38Å; C542-C576 WeakPolarHBondContact SG-CB 3.32Å; C542-C576 CovalentContact SG-SG 2.05Å; C542-C576 PolarHBondContact SG-SG 3.32Å; G549-C576 PolarHBondContact N-O 3.29Å; G549-C576 PolarHBondContact O-N 2.97Å; G549-C576 VanDerWaalsContact O-O 3.12Å; R551-C576 HydrophobicContact CG-CB 4.04Å; E574-C576 PolarHBondContact O-N 2.98Å
577	T	68.8	Low	65.2	Low	64 Å²	64	87.1 Å²	87.1	39%	0.393	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	136.9	160.9	37.3	0	0	0	0	109.8	G547 L582	G547-T577 WeakPolarHBondContact O-CA 3.39Å; T577-L582 HydrophobicContact CG2-CB 3.72Å; T577-L582 HydrophobicContact CG2-CD1 3.56Å; T577-L582 HydrophobicContact CG2-CG 3.42Å; T577-L582 VanDerWaalsContact CG2-CG 3.42Å
578	G	63	Low	64.1	Low	2 Å²	2	90.3 Å²	90.3	2%	0.021	51%	0.507	C	S	.	.			trans	-58.1	156.8	173.9	0	0	0	0	0	111.9	A544 K545 G547 A580 G581	A544-G578 WeakPolarHBondContact O-CA 3.22Å; K545-G578 CarbonylContact O-C 3.31Å; K545-G578 WeakPolarHBondContact O-CA 3.25Å; G547-G578 PolarHBondContact O-N 3.3Å; G578-A580 PolarHBondContact O-N 3.49Å; G578-G581 PolarHBondContact O-N 2.82Å
579	S	63.5	Low	63.5	Low	124 Å²	124	93.6 Å²	93.6	87%	0.867	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-18.2	-176.3	52.6	0	0	0	0	114.6	K545	K545-S579 PolarHBondContact O-N 2.61Å
580	A	52.9	Low	62.9	Low	52 Å²	52	90.8 Å²	90.8	43%	0.43	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	4.1	173.9	0	0	0	0	0	115	K545 C546 G578 C584	K545-A580 PolarHBondContact O-N 3.05Å; C546-A580 HydrophobicContact CB-CB 3.87Å; G578-A580 PolarHBondContact O-N 3.49Å; A580-C584 WeakPolarHBondContact O-CA 3.27Å
581	G	51.8	Low	62.4	Low	25 Å²	25	94 Å²	94	26%	0.258	53%	0.533	S	S	.	.			trans	97.5	173.3	177.4	0	0	0	0	0	115.5	G547 G578	G547-G581 PolarHBondContact N-O 3.22Å; G578-G581 PolarHBondContact O-N 2.82Å
582	L	57.5	Low	61.9	Low	127 Å²	127	90.5 Å²	90.5	67%	0.665	51%	0.511	S	S	*	.	S	Bend	trans	-75.4	-39	179.1	-144.5	145.2	0	0	0	110.8	T577	T577-L582 HydrophobicContact CG2-CB 3.72Å; T577-L582 HydrophobicContact CG2-CD1 3.56Å; T577-L582 HydrophobicContact CG2-CG 3.42Å; T577-L582 VanDerWaalsContact CG2-CG 3.42Å
583	E	50.4	Low	61.2	Low	148 Å²	148	92.8 Å²	92.8	69%	0.692	52%	0.522	S	S	*	.	S	Bend	trans	-121.7	143.8	156.2	-68	-173.8	163.8	0	0	106.5	N585	E583-N585 PolarHBondContact O-N 2.72Å
584	C	46.4	Very low	60.4	Low	83 Å²	83	89.2 Å²	89.2	56%	0.561	51%	0.506	S	S	*	.	S	Bend	trans	-65	12.9	-170.8	-61.1	0	0	0	0	115.6	A580	A580-C584 WeakPolarHBondContact O-CA 3.27Å
585	N	42.3	Very low	60	Low	148 Å²	148	87.8 Å²	87.8	79%	0.791	50%	0.503	S	S	*	.			trans	-159.8	109.9	177.8	-74.1	-53.7	0	0	0	111.5	E583	E583-N585 PolarHBondContact O-N 2.72Å
586	V	39.6	Very low	59.4	Low	128 Å²	128	91 Å²	91	78%	0.776	52%	0.515	S	S	*	.			trans	-146	134	162.4	-173.3	0	0	0	0	110
587	V	43.1	Very low	59.1	Low	140 Å²	140	93.4 Å²	93.4	85%	0.848	52%	0.521	S	S	*	.			trans	-114.1	135.5	175.7	176.1	0	0	0	0	108.6
588	E	45.2	Very low	59.3	Low	181 Å²	181	92.7 Å²	92.7	85%	0.846	52%	0.519	S	S	*	.			trans	-77.4	137	-178.3	-61.1	-180	164.8	0	0	112.2	P590	E588-P590 WeakPolarHBondContact O-CD 3.42Å
589	D	55.2	Low	59.3	Low	91 Å²	91	96.4 Å²	96.4	49%	0.487	54%	0.536	S	S	.	.			trans	-83.1	116.2	176.7	-179.4	5.3	0	0	0	111.9	H591	D589-H591 PolarHBondContact O-N 3.43Å; D589-H591 WeakPolarHBondContact OD1-CB 3.4Å; D589-H591 IonicContact OD1-CG 2.73Å; D589-H591 PolarHBondContact OD1-N 3.28Å; D589-H591 IonicContact OD1-ND1 3.14Å; D589-H591 PolarHBondContact OD1-ND1 3.09Å
590	P	62.3	Low	59.9	Low	84 Å²	84	93.3 Å²	93.3	55%	0.545	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-10.6	178.5	-18.5	32.5	0	0	0	115.7	E588	E588-P590 WeakPolarHBondContact O-CD 3.42Å
591	H	69.5	Low	60.7	Low	120 Å²	120	92.8 Å²	92.8	56%	0.556	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-22.1	-173.1	-65.3	87.2	0	0	0	114.7	D589 N623	D589-H591 PolarHBondContact O-N 3.43Å; D589-H591 WeakPolarHBondContact OD1-CB 3.4Å; D589-H591 IonicContact OD1-CG 2.73Å; D589-H591 PolarHBondContact OD1-N 3.28Å; D589-H591 IonicContact OD1-ND1 3.14Å; D589-H591 PolarHBondContact OD1-ND1 3.09Å; H591-N623 PolarHBondContact O-ND2 3.44Å; H591-N623 VanDerWaalsContact O-ND2 3.1Å
592	C	69.6	Low	61.8	Low	18 Å²	18	96.7 Å²	96.7	12%	0.122	52%	0.519	C	S	.	.			trans	-113.8	47.8	-174	-68	0	0	0	0	113	C627 L630	C592-C627 WeakPolarHBondContact CA-SG 3.36Å; C592-C627 HydrophobicContact CB-CB 3.86Å; C592-C627 WeakPolarHBondContact CB-SG 3.36Å; C592-C627 VanDerWaalsContact SG-CA 3.54Å; C592-C627 WeakPolarHBondContact SG-CB 3.26Å; C592-C627 CovalentContact SG-SG 2.04Å; C592-C627 PolarHBondContact SG-SG 3Å; C592-L630 WeakPolarHBondContact O-CD2 3.46Å
593	Q	71.5	Confident	62.7	Low	105 Å²	105	92.2 Å²	92.2	49%	0.491	50%	0.498	S	S	.	.			trans	-72.5	127.3	173.9	-69.1	177.9	-20.1	0	0	111.1	Y619	Q593-Y619 HydrophobicContact CB-CD2 3.88Å; Q593-Y619 PolarHBondContact O-N 3.4Å
594	A	71.2	Confident	63.8	Low	25 Å²	25	89.1 Å²	89.1	21%	0.207	49%	0.493	C	S	.	.	B	Isolated β-bridge	trans	-111.8	159.2	172.9	0	0	0	0	0	112	R616 L617 Y619 L630	A594-R616 HydrophobicContact CB-CG 4.38Å; A594-L617 CarbonylContact C-O 3.59Å; A594-L617 WeakPolarHBondContact CA-O 3.29Å; A594-L617 WeakPolarHBondContact CB-O 3.44Å; A594-Y619 WeakPolarHBondContact O-CE2 3.29Å; A594-L630 HydrophobicContact CB-CD2 3.68Å
595	T	76.7	Confident	64.7	Low	48 Å²	48	91.1 Å²	91.1	29%	0.294	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-66	172.7	168.5	68.4	0	0	0	0	110.7	L617	T595-L617 HydrophobicContact CG2-CB 4.1Å; T595-L617 PolarHBondContact N-O 3.47Å; T595-L617 PolarHBondContact OG1-N 2.73Å; T595-L617 PolarHBondContact OG1-O 2.86Å
596	Q	70.8	Confident	65.6	Low	182 Å²	182	88.4 Å²	88.4	85%	0.85	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-61.7	154.9	165.4	-63.6	-178.6	-11.4	0	0	110.7	R616	Q596-R616 WeakPolarHBondContact O-CB 3.47Å
597	W	70.7	Confident	67.1	Low	66 Å²	66	83.3 Å²	83.3	25%	0.25	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-65.8	144.1	173.1	-73.9	104.7	0	0	0	111	R614 T615 R616 E631 L632 Q634	W597-R614 HydrophobicContact CD2-CG 4.31Å; W597-R614 HydrophobicContact CE3-CB 4.37Å; W597-R614 HydrophobicContact CE3-CG 3.74Å; W597-R614 HydrophobicContact CZ3-CG 4.16Å; W597-T615 VanDerWaalsContact CE3-C 3.47Å; W597-R616 HydrophobicContact CD2-CB 4.09Å; W597-R616 HydrophobicContact CD2-CG 3.93Å; W597-R616 VanDerWaalsContact CE2-CD 3.48Å; W597-R616 HydrophobicContact CE3-CB 3.91Å; W597-R616 HydrophobicContact CE3-CG 3.79Å; W597-R616 HydrophobicContact CG-CB 4.49Å; W597-R616 HydrophobicContact CH2-CG 4.03Å; W597-R616 HydrophobicContact CZ2-CG 4.16Å; W597-R616 HydrophobicContact CZ3-CB 4.38Å; W597-R616 HydrophobicContact CZ3-CG 3.85Å; W597-E631 HydrophobicContact CH2-CB 4.46Å; W597-E631 HydrophobicContact CH2-CG 4.22Å; W597-E631 WeakPolarHBondContact CH2-O 3.42Å; W597-E631 WeakPolarHBondContact CZ2-O 3.28Å; W597-L632 WeakPolarHBondContact CZ3-O 3.41Å; W597-Q634 HydrophobicContact CH2-CB 4.01Å; W597-Q634 HydrophobicContact CZ3-CB 4.13Å
598	S	72.7	Confident	68.5	Low	49 Å²	49	79.3 Å²	79.3	34%	0.343	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-66.5	166.2	164.9	80	0	0	0	0	109.9	R614 T615	S598-R614 WeakPolarHBondContact O-CB 3.37Å; S598-T615 WeakPolarHBondContact CB-O 3.19Å; S598-T615 PolarHBondContact N-O 3.38Å; S598-T615 PolarHBondContact OG-N 2.95Å; S598-T615 PolarHBondContact OG-O 3.01Å
599	E	63.3	Low	70	Confident	81 Å²	81	76.7 Å²	76.7	38%	0.379	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-55.1	149.8	165.3	-65.3	-52.2	123.9	0	0	112	Y313 P314 S601	Y313-E599 WeakPolarHBondContact CE1-OE2 3.24Å; P314-E599 VanDerWaalsContact CB-OE1 3.29Å; P314-E599 WeakPolarHBondContact CB-OE1 3.29Å; P314-E599 VanDerWaalsContact CD-CD 3.5Å; P314-E599 VanDerWaalsContact CD-CG 3.41Å; P314-E599 HydrophobicContact CG-CG 3.68Å; P314-E599 WeakPolarHBondContact CG-OE1 3.36Å; E599-S601 PolarHBondContact O-N 3.32Å
600	W	75.4	Confident	71	Confident	59 Å²	59	72.7 Å²	72.7	22%	0.223	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-63.7	131.7	162.1	-73.7	108.8	0	0	0	109.2	R612 L613 R614 Q634 E636	W600-R612 HydrophobicContact CB-CB 4.45Å; W600-R612 HydrophobicContact CD2-CG 3.98Å; W600-R612 HydrophobicContact CE3-CB 3.93Å; W600-R612 HydrophobicContact CE3-CG 3.55Å; W600-R612 HydrophobicContact CG-CG 4.43Å; W600-R612 HydrophobicContact CZ3-CG 4.02Å; W600-R612 VanDerWaalsContact CZ3-O 3.25Å; W600-R612 WeakPolarHBondContact CZ3-O 3.45Å; W600-L613 CarbonylContact C-O 3.59Å; W600-L613 WeakPolarHBondContact CA-O 3.46Å; W600-R614 HydrophobicContact CD2-CB 3.93Å; W600-R614 HydrophobicContact CD2-CG 3.87Å; W600-R614 VanDerWaalsContact CE2-CD 3.42Å; W600-R614 HydrophobicContact CE3-CB 3.82Å; W600-R614 HydrophobicContact CE3-CG 3.79Å; W600-R614 HydrophobicContact CG-CB 4.41Å; W600-R614 HydrophobicContact CH2-CG 3.76Å; W600-R614 HydrophobicContact CZ2-CG 3.81Å; W600-R614 VanDerWaalsContact CZ2-NE 3.34Å; W600-R614 HydrophobicContact CZ3-CB 4.2Å; W600-R614 HydrophobicContact CZ3-CG 3.74Å; W600-Q634 HydrophobicContact CH2-CB 3.96Å; W600-Q634 HydrophobicContact CH2-CG 3.79Å; W600-Q634 HydrophobicContact CZ2-CG 4.48Å; W600-Q634 HydrophobicContact CZ3-CB 4.49Å; W600-Q634 WeakPolarHBondContact CZ3-O 3.47Å; W600-E636 HydrophobicContact CH2-CB 3.61Å; W600-E636 HydrophobicContact CZ2-CB 4.21Å; W600-E636 WeakPolarHBondContact CZ2-OE2 3.36Å; W600-E636 HydrophobicContact CZ3-CB 3.93Å
601	S	69.6	Low	71.6	Confident	41 Å²	41	72.6 Å²	72.6	29%	0.287	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-55.6	152.7	165.9	75.7	0	0	0	0	109.3	E599 R612 L613	E599-S601 PolarHBondContact O-N 3.32Å; S601-R612 WeakPolarHBondContact O-CB 3.39Å; S601-L613 PolarHBondContact N-O 3.38Å; S601-L613 PolarHBondContact OG-N 3.37Å
602	P	74.4	Confident	71.9	Confident	107 Å²	107	71 Å²	71	70%	0.695	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-51.9	153.4	162.7	23.4	-32.2	0	0	0	109.8	S604	P602-S604 PolarHBondContact O-N 3.38Å
603	C	76.9	Confident	72.2	Confident	32 Å²	32	73.6 Å²	73.6	22%	0.216	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-55.1	135.5	175.4	-164.7	0	0	0	0	108.9	R605 C638 L640	C603-R605 PolarHBondContact O-N 2.8Å; C603-C638 WeakPolarHBondContact CA-SG 3.37Å; C603-C638 HydrophobicContact CB-CB 4Å; C603-C638 WeakPolarHBondContact CB-SG 3.38Å; C603-C638 WeakPolarHBondContact SG-CB 3.32Å; C603-C638 CovalentContact SG-SG 2.04Å; C603-C638 PolarHBondContact SG-SG 3.45Å; C603-L640 HydrophobicContact CB-CD1 4Å; C603-L640 HydrophobicContact CB-CG 4.46Å
604	S	72.6	Confident	72.4	Confident	83 Å²	83	71.8 Å²	71.8	58%	0.58	38%	0.376	S	S	*	.	S	Bend	trans	-62.6	-11.6	-176.3	63.2	0	0	0	0	114	P602 I611	P602-S604 PolarHBondContact O-N 3.38Å; S604-I611 VanDerWaalsContact CB-O 3.3Å; S604-I611 WeakPolarHBondContact CB-O 3.38Å; S604-I611 PolarHBondContact N-O 3.23Å; S604-I611 PolarHBondContact OG-N 2.65Å; S604-I611 PolarHBondContact OG-O 2.99Å
605	R	65.4	Low	72.7	Confident	126 Å²	126	73.5 Å²	73.5	48%	0.475	39%	0.385	S	S	.	.	S	Bend	trans	-132.6	155.8	177	-60.4	-176.4	71.6	-161.2	-5	109.3	C603 D608 E609 L640	C603-R605 PolarHBondContact O-N 2.8Å; R605-D608 IonicContact NH2-OD2 3.77Å; R605-E609 WeakPolarHBondContact CD-O 3.33Å; R605-E609 PolarHBondContact NH1-O 2.74Å; R605-L640 WeakPolarHBondContact O-CD1 3.45Å
606	S	62.4	Low	72.6	Confident	91 Å²	91	73.8 Å²	73.8	64%	0.636	38%	0.38	S	S	*	.	S	Bend	trans	-90	-9.9	176.8	-52.7	0	0	0	0	113.8	L640	S606-L640 WeakPolarHBondContact O-CD1 3.37Å
607	C	70.9	Confident	73	Confident	20 Å²	20	71 Å²	71	14%	0.135	37%	0.37	C	S	.	.	S	Bend	trans	-156.2	162	179.4	55.8	0	0	0	0	110	L641 C643 F646	C607-L641 WeakPolarHBondContact CA-O 3.33Å; C607-L641 VanDerWaalsContact CB-O 3.32Å; C607-L641 WeakPolarHBondContact CB-O 3.28Å; C607-C643 HydrophobicContact CB-CB 3.85Å; C607-C643 WeakPolarHBondContact CB-SG 3.39Å; C607-C643 WeakPolarHBondContact SG-CA 3.21Å; C607-C643 WeakPolarHBondContact SG-CB 3.45Å; C607-C643 CovalentContact SG-SG 2.03Å; C607-C643 PolarHBondContact SG-SG 3.5Å; C607-F646 HydrophobicContact CB-CB 4.08Å; C607-F646 HydrophobicContact CB-CD1 4.25Å; C607-F646 HydrophobicContact CB-CG 4.16Å
608	D	71.5	Confident	73.4	Confident	57 Å²	57	68.7 Å²	68.7	31%	0.305	36%	0.363	S	S	.	.	S	Bend	trans	58	-160	-169.1	-55.7	-27.9	0	0	0	113	R605 L640 L641 S642 C643	R605-D608 IonicContact NH2-OD2 3.77Å; D608-L640 WeakPolarHBondContact O-CB 3.05Å; D608-L640 PolarHBondContact O-N 3.4Å; D608-L641 PolarHBondContact N-O 2.77Å; D608-S642 WeakPolarHBondContact OD1-CA 3.44Å; D608-C643 PolarHBondContact OD1-N 2.8Å; D608-C643 PolarHBondContact OD2-SG 2.8Å
609	E	77.6	Confident	73.4	Confident	126 Å²	126	73.8 Å²	73.8	59%	0.589	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	128.4	177.6	-45.7	-166	144.5	0	0	110.9	R605 C638 N639	R605-E609 WeakPolarHBondContact CD-O 3.33Å; R605-E609 PolarHBondContact NH1-O 2.74Å; E609-C638 WeakPolarHBondContact CA-O 3.42Å; E609-N639 VanDerWaalsContact CG-OD1 3.25Å; E609-N639 WeakPolarHBondContact CG-OD1 3.26Å
610	G	76.9	Confident	74	Confident	6 Å²	6	76 Å²	76	6%	0.062	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	-172.2	172.7	0	0	0	0	0	111.2	S637 C638	G610-S637 WeakPolarHBondContact O-CA 3.47Å; G610-C638 PolarHBondContact N-O 2.87Å; G610-C638 PolarHBondContact O-N 3.35Å; G610-C638 PolarHBondContact O-SG 2.95Å; G610-C638 VanDerWaalsContact O-SG 3.39Å
611	I	73.3	Confident	73.9	Confident	83 Å²	83	77.6 Å²	77.6	43%	0.426	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	138.3	179.7	-58.8	167.9	0	0	0	108.6	S604 L613 K635 E636 C638	S604-I611 VanDerWaalsContact CB-O 3.3Å; S604-I611 WeakPolarHBondContact CB-O 3.38Å; S604-I611 PolarHBondContact N-O 3.23Å; S604-I611 PolarHBondContact OG-N 2.65Å; S604-I611 PolarHBondContact OG-O 2.99Å; I611-L613 HydrophobicContact CG2-CD2 4.06Å; I611-K635 HydrophobicContact CG2-CB 4.06Å; I611-E636 CarbonylContact C-O 3.58Å; I611-E636 WeakPolarHBondContact CA-O 3.33Å; I611-C638 VanDerWaalsContact C-SG 3.53Å; I611-C638 PolarHBondContact N-SG 3.05Å; I611-C638 VanDerWaalsContact N-SG 3.4Å
612	R	77.3	Confident	74.3	Confident	87 Å²	87	84.4 Å²	84.4	33%	0.328	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	150.3	165.7	58.7	179.4	-171.1	-170.7	-1	110.4	W600 S601 E636	W600-R612 HydrophobicContact CB-CB 4.45Å; W600-R612 HydrophobicContact CD2-CG 3.98Å; W600-R612 HydrophobicContact CE3-CB 3.93Å; W600-R612 HydrophobicContact CE3-CG 3.55Å; W600-R612 HydrophobicContact CG-CG 4.43Å; W600-R612 HydrophobicContact CZ3-CG 4.02Å; W600-R612 VanDerWaalsContact CZ3-O 3.25Å; W600-R612 WeakPolarHBondContact CZ3-O 3.45Å; S601-R612 WeakPolarHBondContact O-CB 3.39Å; R612-E636 HydrophobicContact CG-CB 4.07Å; R612-E636 IonicContact CZ-OE2 3.82Å; R612-E636 PolarHBondContact N-O 3.39Å; R612-E636 IonicContact NE-OE2 2.67Å; R612-E636 PolarHBondContact NE-OE2 3.1Å; R612-E636 VanDerWaalsContact NH2-CD 3.34Å; R612-E636 IonicContact NH2-OE1 2.99Å; R612-E636 PolarHBondContact NH2-OE1 3.26Å; R612-E636 IonicContact NH2-OE2 3.83Å; R612-E636 PolarHBondContact NH2-OE2 2.71Å; R612-E636 PolarHBondContact O-N 2.93Å
613	L	75.9	Confident	74.3	Confident	71 Å²	71	81.2 Å²	81.2	37%	0.372	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	138.9	-173.4	-57.4	169.8	0	0	0	110.3	W600 S601 I611 Q634 K635	W600-L613 CarbonylContact C-O 3.59Å; W600-L613 WeakPolarHBondContact CA-O 3.46Å; S601-L613 PolarHBondContact N-O 3.38Å; S601-L613 PolarHBondContact OG-N 3.37Å; I611-L613 HydrophobicContact CG2-CD2 4.06Å; L613-Q634 WeakPolarHBondContact CA-O 3.48Å; L613-K635 HydrophobicContact CD2-CB 4.05Å; L613-K635 HydrophobicContact CD2-CD 3.74Å; L613-K635 HydrophobicContact CD2-CG 3.48Å; L613-K635 VanDerWaalsContact CD2-CG 3.48Å
614	R	74.6	Confident	74	Confident	67 Å²	67	85.6 Å²	85.6	25%	0.253	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	153.1	166	65.5	175.6	-178.8	-177.2	1.8	110.8	W597 S598 W600 L633 Q634	W597-R614 HydrophobicContact CD2-CG 4.31Å; W597-R614 HydrophobicContact CE3-CB 4.37Å; W597-R614 HydrophobicContact CE3-CG 3.74Å; W597-R614 HydrophobicContact CZ3-CG 4.16Å; S598-R614 WeakPolarHBondContact O-CB 3.37Å; W600-R614 HydrophobicContact CD2-CB 3.93Å; W600-R614 HydrophobicContact CD2-CG 3.87Å; W600-R614 VanDerWaalsContact CE2-CD 3.42Å; W600-R614 HydrophobicContact CE3-CB 3.82Å; W600-R614 HydrophobicContact CE3-CG 3.79Å; W600-R614 HydrophobicContact CG-CB 4.41Å; W600-R614 HydrophobicContact CH2-CG 3.76Å; W600-R614 HydrophobicContact CZ2-CG 3.81Å; W600-R614 VanDerWaalsContact CZ2-NE 3.34Å; W600-R614 HydrophobicContact CZ3-CB 4.2Å; W600-R614 HydrophobicContact CZ3-CG 3.74Å; R614-L633 WeakPolarHBondContact O-CA 3.17Å; R614-Q634 HydrophobicContact CG-CB 3.94Å; R614-Q634 PolarHBondContact N-O 2.96Å; R614-Q634 VanDerWaalsContact N-O 3.08Å; R614-Q634 PolarHBondContact O-N 2.91Å
615	T	77.1	Confident	74.2	Confident	62 Å²	62	89 Å²	89	38%	0.38	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	154.1	-176.2	61.4	0	0	0	0	112.6	W597 S598 L632 L633	W597-T615 VanDerWaalsContact CE3-C 3.47Å; S598-T615 WeakPolarHBondContact CB-O 3.19Å; S598-T615 PolarHBondContact N-O 3.38Å; S598-T615 PolarHBondContact OG-N 2.95Å; S598-T615 PolarHBondContact OG-O 3.01Å; T615-L632 CarbonylContact C-O 3.33Å; T615-L632 WeakPolarHBondContact CA-O 3.32Å; T615-L633 HydrophobicContact CG2-CB 4.15Å; T615-L633 HydrophobicContact CG2-CD1 3.78Å; T615-L633 HydrophobicContact CG2-CG 3.96Å
616	R	75.1	Confident	74.6	Confident	53 Å²	53	86.6 Å²	86.6	20%	0.2	43%	0.43	C	S	.	.			trans	-138.3	162.9	169.9	61.9	-179.1	173.7	174.5	-2.7	110	A594 Q596 W597 L630 E631 L632	A594-R616 HydrophobicContact CB-CG 4.38Å; Q596-R616 WeakPolarHBondContact O-CB 3.47Å; W597-R616 HydrophobicContact CD2-CB 4.09Å; W597-R616 HydrophobicContact CD2-CG 3.93Å; W597-R616 VanDerWaalsContact CE2-CD 3.48Å; W597-R616 HydrophobicContact CE3-CB 3.91Å; W597-R616 HydrophobicContact CE3-CG 3.79Å; W597-R616 HydrophobicContact CG-CB 4.49Å; W597-R616 HydrophobicContact CH2-CG 4.03Å; W597-R616 HydrophobicContact CZ2-CG 4.16Å; W597-R616 HydrophobicContact CZ3-CB 4.38Å; W597-R616 HydrophobicContact CZ3-CG 3.85Å; R616-L630 VanDerWaalsContact NH2-CD1 3.34Å; R616-E631 VanDerWaalsContact CZ-O 3.29Å; R616-E631 PolarHBondContact NE-O 2.96Å; R616-E631 PolarHBondContact NH2-O 2.96Å; R616-L632 HydrophobicContact CG-CD2 4.07Å; R616-L632 PolarHBondContact N-O 3.32Å
617	L	79.1	Confident	75.2	Confident	123 Å²	123	82.4 Å²	82.4	64%	0.644	40%	0.4	S	S	*	.			trans	-112.6	155.6	-177.2	-58.5	175.8	0	0	0	110.9	A594 T595	A594-L617 CarbonylContact C-O 3.59Å; A594-L617 WeakPolarHBondContact CA-O 3.29Å; A594-L617 WeakPolarHBondContact CB-O 3.44Å; T595-L617 HydrophobicContact CG2-CB 4.1Å; T595-L617 PolarHBondContact N-O 3.47Å; T595-L617 PolarHBondContact OG1-N 2.73Å; T595-L617 PolarHBondContact OG1-O 2.86Å
618	L	78.7	Confident	75.4	Confident	19 Å²	19	89.1 Å²	89.1	10%	0.099	43%	0.427	C	S	.	.	B	Isolated β-bridge	trans	-81	139.6	169.2	-74	166.8	0	0	0	109.8	R620 Q624 C627 L630 L632	L618-R620 PolarHBondContact O-N 3.24Å; L618-Q624 HydrophobicContact CD1-CB 4.13Å; L618-Q624 HydrophobicContact CD1-CG 4.45Å; L618-C627 HydrophobicContact CD1-CB 4.07Å; L618-C627 HydrophobicContact CD2-CB 4.01Å; L618-L630 HydrophobicContact CD2-CD2 3.58Å; L618-L632 HydrophobicContact CD1-CD1 4.12Å; L618-L632 HydrophobicContact CD2-CD2 4.36Å; L618-L632 HydrophobicContact CG-CD1 4.14Å; L618-L632 HydrophobicContact CG-CD2 4.03Å
619	Y	72.6	Confident	75.6	Confident	156 Å²	156	93 Å²	93	61%	0.612	44%	0.443	S	S	*	.	S	Bend	trans	-62	-31.6	172.4	-89.2	-80.6	0	0	0	112.1	Q593 A594	Q593-Y619 HydrophobicContact CB-CD2 3.88Å; Q593-Y619 PolarHBondContact O-N 3.4Å; A594-Y619 WeakPolarHBondContact O-CE2 3.29Å
620	R	76.5	Confident	75.1	Confident	128 Å²	128	88.9 Å²	88.9	48%	0.483	43%	0.425	S	S	.	.			trans	-118.6	96.1	175.6	-62.6	-172	-173	96.9	2.9	109.3	L618 E622 N623	L618-R620 PolarHBondContact O-N 3.24Å; R620-E622 PolarHBondContact O-N 2.79Å; R620-N623 HydrophobicContact CB-CB 4.35Å; R620-N623 PolarHBondContact O-N 2.92Å
621	P	73.1	Confident	75.2	Confident	92 Å²	92	93.4 Å²	93.4	60%	0.597	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-58.1	-28.6	178.6	-22.6	32.1	0	0	0	112.9	N623 Q624	P621-N623 PolarHBondContact O-N 2.66Å; P621-Q624 VanDerWaalsContact O-CB 3.25Å; P621-Q624 WeakPolarHBondContact O-CB 3.37Å; P621-Q624 PolarHBondContact O-N 2.78Å; P621-Q624 VanDerWaalsContact O-N 3.14Å
622	E	77.7	Confident	75.5	Confident	184 Å²	184	91.8 Å²	91.8	86%	0.86	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-60.2	-27.7	177	-54.2	-178.5	-140	0	0	112.6	R620 Q624	R620-E622 PolarHBondContact O-N 2.79Å; E622-Q624 VanDerWaalsContact C-N 3.27Å; E622-Q624 PolarHBondContact O-N 3.45Å
623	N	74.3	Confident	75.6	Confident	40 Å²	40	91.5 Å²	91.5	21%	0.214	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-87.2	10	-179.6	-66.5	5.7	0	0	0	112.9	H591 R620 P621 E625 S626 C627	H591-N623 PolarHBondContact O-ND2 3.44Å; H591-N623 VanDerWaalsContact O-ND2 3.1Å; R620-N623 HydrophobicContact CB-CB 4.35Å; R620-N623 PolarHBondContact O-N 2.92Å; P621-N623 PolarHBondContact O-N 2.66Å; N623-E625 PolarHBondContact O-N 3.44Å; N623-S626 PolarHBondContact O-N 3.16Å; N623-S626 VanDerWaalsContact O-N 3.16Å; N623-S626 PolarHBondContact O-OG 3.27Å; N623-C627 WeakPolarHBondContact O-CB 3.15Å; N623-C627 PolarHBondContact O-N 3.08Å; N623-C627 PolarHBondContact O-SG 2.74Å; N623-C627 VanDerWaalsContact O-SG 3.42Å
624	Q	71.4	Confident	75.9	Confident	123 Å²	123	90.4 Å²	90.4	58%	0.575	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-59.8	-30.9	-176	-176.4	173.5	-34.6	0	0	112.8	L618 P621 E622	L618-Q624 HydrophobicContact CD1-CB 4.13Å; L618-Q624 HydrophobicContact CD1-CG 4.45Å; P621-Q624 VanDerWaalsContact O-CB 3.25Å; P621-Q624 WeakPolarHBondContact O-CB 3.37Å; P621-Q624 PolarHBondContact O-N 2.78Å; P621-Q624 VanDerWaalsContact O-N 3.14Å; E622-Q624 VanDerWaalsContact C-N 3.27Å; E622-Q624 PolarHBondContact O-N 3.45Å
625	E	76.5	Confident	76.1	Confident	156 Å²	156	94 Å²	94	73%	0.729	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-33.3	177.8	-82.5	176.7	142.2	0	0	114.2	N623 K628	N623-E625 PolarHBondContact O-N 3.44Å; E625-K628 WeakPolarHBondContact O-CG 3.39Å
626	S	74.5	Confident	76.3	Confident	75 Å²	75	94.7 Å²	94.7	52%	0.524	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-33.6	176.6	54.5	0	0	0	0	112.3	N623 K628 H629	N623-S626 PolarHBondContact O-N 3.16Å; N623-S626 VanDerWaalsContact O-N 3.16Å; N623-S626 PolarHBondContact O-OG 3.27Å; S626-K628 VanDerWaalsContact C-N 3.31Å; S626-K628 PolarHBondContact O-N 3.38Å; S626-H629 PolarHBondContact O-ND1 3.29Å
627	C	75.4	Confident	76.2	Confident	3 Å²	3	95.8 Å²	95.8	2%	0.02	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	24.5	-178.9	-54.4	0	0	0	0	113.9	C592 L618 N623 H629 L630	C592-C627 WeakPolarHBondContact CA-SG 3.36Å; C592-C627 HydrophobicContact CB-CB 3.86Å; C592-C627 WeakPolarHBondContact CB-SG 3.36Å; C592-C627 VanDerWaalsContact SG-CA 3.54Å; C592-C627 WeakPolarHBondContact SG-CB 3.26Å; C592-C627 CovalentContact SG-SG 2.04Å; C592-C627 PolarHBondContact SG-SG 3Å; L618-C627 HydrophobicContact CD1-CB 4.07Å; L618-C627 HydrophobicContact CD2-CB 4.01Å; N623-C627 WeakPolarHBondContact O-CB 3.15Å; N623-C627 PolarHBondContact O-N 3.08Å; N623-C627 PolarHBondContact O-SG 2.74Å; N623-C627 VanDerWaalsContact O-SG 3.42Å; C627-H629 PolarHBondContact O-N 2.69Å; C627-H629 VanDerWaalsContact O-N 3.14Å; C627-L630 HydrophobicContact CB-CB 4.44Å; C627-L630 VanDerWaalsContact O-CB 3.29Å; C627-L630 WeakPolarHBondContact O-CB 3.35Å; C627-L630 PolarHBondContact O-N 2.87Å
628	K	74.4	Confident	76	Confident	161 Å²	161	90.7 Å²	90.7	70%	0.7	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-23.5	177.7	-74.7	179.5	-174.9	175.1	0	114	E625 S626 L630	E625-K628 WeakPolarHBondContact O-CG 3.39Å; S626-K628 VanDerWaalsContact C-N 3.31Å; S626-K628 PolarHBondContact O-N 3.38Å; K628-L630 PolarHBondContact O-N 3.4Å
629	H	74.7	Confident	75.8	Confident	139 Å²	139	95.1 Å²	95.1	64%	0.644	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-17.9	175	62.7	-88.5	0	0	0	112.6	S626 C627	S626-H629 PolarHBondContact O-ND1 3.29Å; C627-H629 PolarHBondContact O-N 2.69Å; C627-H629 VanDerWaalsContact O-N 3.14Å
630	L	69.1	Low	75.5	Confident	38 Å²	38	91 Å²	91	20%	0.199	45%	0.452	C	S	.	.	S	Bend	trans	-85.6	118.2	179.2	-167.4	70.2	0	0	0	110.4	C592 A594 R616 L618 C627 K628 L632	C592-L630 WeakPolarHBondContact O-CD2 3.46Å; A594-L630 HydrophobicContact CB-CD2 3.68Å; R616-L630 VanDerWaalsContact NH2-CD1 3.34Å; L618-L630 HydrophobicContact CD2-CD2 3.58Å; C627-L630 HydrophobicContact CB-CB 4.44Å; C627-L630 VanDerWaalsContact O-CB 3.29Å; C627-L630 WeakPolarHBondContact O-CB 3.35Å; C627-L630 PolarHBondContact O-N 2.87Å; K628-L630 PolarHBondContact O-N 3.4Å; L630-L632 HydrophobicContact CD2-CD2 4.25Å; L630-L632 HydrophobicContact CG-CD2 4.48Å; L630-L632 PolarHBondContact O-N 2.96Å
631	E	77.6	Confident	74.8	Confident	102 Å²	102	87.9 Å²	87.9	48%	0.477	45%	0.445	S	S	.	.			trans	-68.9	119.1	177.2	-167.2	-179.5	-163.9	0	0	110.6	W597 R616 L633	W597-E631 HydrophobicContact CH2-CB 4.46Å; W597-E631 HydrophobicContact CH2-CG 4.22Å; W597-E631 WeakPolarHBondContact CH2-O 3.42Å; W597-E631 WeakPolarHBondContact CZ2-O 3.28Å; R616-E631 VanDerWaalsContact CZ-O 3.29Å; R616-E631 PolarHBondContact NE-O 2.96Å; R616-E631 PolarHBondContact NH2-O 2.96Å; E631-L633 WeakPolarHBondContact CG-O 3.45Å
632	L	79.6	Confident	74.7	Confident	48 Å²	48	85.9 Å²	85.9	25%	0.251	43%	0.433	S	S	.	.			trans	-103.8	-13.6	177.5	-59.7	-177.5	0	0	0	113.2	W597 T615 R616 L618 L630	W597-L632 WeakPolarHBondContact CZ3-O 3.41Å; T615-L632 CarbonylContact C-O 3.33Å; T615-L632 WeakPolarHBondContact CA-O 3.32Å; R616-L632 HydrophobicContact CG-CD2 4.07Å; R616-L632 PolarHBondContact N-O 3.32Å; L618-L632 HydrophobicContact CD1-CD1 4.12Å; L618-L632 HydrophobicContact CD2-CD2 4.36Å; L618-L632 HydrophobicContact CG-CD1 4.14Å; L618-L632 HydrophobicContact CG-CD2 4.03Å; L630-L632 HydrophobicContact CD2-CD2 4.25Å; L630-L632 HydrophobicContact CG-CD2 4.48Å; L630-L632 PolarHBondContact O-N 2.96Å
633	L	80	Confident	74.2	Confident	82 Å²	82	78.6 Å²	78.6	43%	0.429	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	121.5	177.6	-179.6	146.1	0	0	0	108.8	R614 T615 E631 K635	R614-L633 WeakPolarHBondContact O-CA 3.17Å; T615-L633 HydrophobicContact CG2-CB 4.15Å; T615-L633 HydrophobicContact CG2-CD1 3.78Å; T615-L633 HydrophobicContact CG2-CG 3.96Å; E631-L633 WeakPolarHBondContact CG-O 3.45Å; L633-K635 HydrophobicContact CD2-CD 4.23Å; L633-K635 VanDerWaalsContact CD2-CE 3.47Å; L633-K635 HydrophobicContact CD2-CG 3.67Å
634	Q	82.3	Confident	73.9	Confident	48 Å²	48	79.8 Å²	79.8	22%	0.224	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	141.1	178	-162.7	-180	-6.2	0	0	110	W597 W600 L613 R614	W597-Q634 HydrophobicContact CH2-CB 4.01Å; W597-Q634 HydrophobicContact CZ3-CB 4.13Å; W600-Q634 HydrophobicContact CH2-CB 3.96Å; W600-Q634 HydrophobicContact CH2-CG 3.79Å; W600-Q634 HydrophobicContact CZ2-CG 4.48Å; W600-Q634 HydrophobicContact CZ3-CB 4.49Å; W600-Q634 WeakPolarHBondContact CZ3-O 3.47Å; L613-Q634 WeakPolarHBondContact CA-O 3.48Å; R614-Q634 HydrophobicContact CG-CB 3.94Å; R614-Q634 PolarHBondContact N-O 2.96Å; R614-Q634 VanDerWaalsContact N-O 3.08Å; R614-Q634 PolarHBondContact O-N 2.91Å
635	K	78.4	Confident	73.6	Confident	142 Å²	142	76.7 Å²	76.7	62%	0.617	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	135.7	174.9	-49.1	-164.2	177.2	169.7	0	109.4	I611 L613 L633	I611-K635 HydrophobicContact CG2-CB 4.06Å; L613-K635 HydrophobicContact CD2-CB 4.05Å; L613-K635 HydrophobicContact CD2-CD 3.74Å; L613-K635 HydrophobicContact CD2-CG 3.48Å; L613-K635 VanDerWaalsContact CD2-CG 3.48Å; L633-K635 HydrophobicContact CD2-CD 4.23Å; L633-K635 VanDerWaalsContact CD2-CE 3.47Å; L633-K635 HydrophobicContact CD2-CG 3.67Å
636	E	80.9	Confident	73.1	Confident	77 Å²	77	70.4 Å²	70.4	36%	0.36	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	140.5	177.5	-168.5	-177.2	-169.4	0	0	110.2	W600 I611 R612	W600-E636 HydrophobicContact CH2-CB 3.61Å; W600-E636 HydrophobicContact CZ2-CB 4.21Å; W600-E636 WeakPolarHBondContact CZ2-OE2 3.36Å; W600-E636 HydrophobicContact CZ3-CB 3.93Å; I611-E636 CarbonylContact C-O 3.58Å; I611-E636 WeakPolarHBondContact CA-O 3.33Å; R612-E636 HydrophobicContact CG-CB 4.07Å; R612-E636 IonicContact CZ-OE2 3.82Å; R612-E636 PolarHBondContact N-O 3.39Å; R612-E636 IonicContact NE-OE2 2.67Å; R612-E636 PolarHBondContact NE-OE2 3.1Å; R612-E636 VanDerWaalsContact NH2-CD 3.34Å; R612-E636 IonicContact NH2-OE1 2.99Å; R612-E636 PolarHBondContact NH2-OE1 3.26Å; R612-E636 IonicContact NH2-OE2 3.83Å; R612-E636 PolarHBondContact NH2-OE2 2.71Å; R612-E636 PolarHBondContact O-N 2.93Å
637	S	74.4	Confident	72.8	Confident	75 Å²	75	68.9 Å²	68.9	52%	0.524	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	132.3	171.7	-171.4	0	0	0	0	109.9	G610	G610-S637 WeakPolarHBondContact O-CA 3.47Å
638	C	73.5	Confident	72.5	Confident	16 Å²	16	75.6 Å²	75.6	11%	0.108	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	122.2	170.3	40.4	0	0	0	0	108.8	C603 E609 G610 I611	C603-C638 WeakPolarHBondContact CA-SG 3.37Å; C603-C638 HydrophobicContact CB-CB 4Å; C603-C638 WeakPolarHBondContact CB-SG 3.38Å; C603-C638 WeakPolarHBondContact SG-CB 3.32Å; C603-C638 CovalentContact SG-SG 2.04Å; C603-C638 PolarHBondContact SG-SG 3.45Å; E609-C638 WeakPolarHBondContact CA-O 3.42Å; G610-C638 PolarHBondContact N-O 2.87Å; G610-C638 PolarHBondContact O-N 3.35Å; G610-C638 PolarHBondContact O-SG 2.95Å; G610-C638 VanDerWaalsContact O-SG 3.39Å; I611-C638 VanDerWaalsContact C-SG 3.53Å; I611-C638 PolarHBondContact N-SG 3.05Å; I611-C638 VanDerWaalsContact N-SG 3.4Å
639	N	74.5	Confident	72	Confident	113 Å²	113	70.3 Å²	70.3	60%	0.604	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	109.9	175	-78.5	3.4	0	0	0	109.4	E609	E609-N639 VanDerWaalsContact CG-OD1 3.25Å; E609-N639 WeakPolarHBondContact CG-OD1 3.26Å
640	L	66.5	Low	71.9	Confident	69 Å²	69	64.1 Å²	64.1	36%	0.361	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-93.6	169.9	171.3	-61	179.4	0	0	0	110.4	C603 R605 S606 D608	C603-L640 HydrophobicContact CB-CD1 4Å; C603-L640 HydrophobicContact CB-CG 4.46Å; R605-L640 WeakPolarHBondContact O-CD1 3.45Å; S606-L640 WeakPolarHBondContact O-CD1 3.37Å; D608-L640 WeakPolarHBondContact O-CB 3.05Å; D608-L640 PolarHBondContact O-N 3.4Å
641	L	63.1	Low	72	Confident	63 Å²	63	62.5 Å²	62.5	33%	0.33	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-52.9	143.7	172.9	-171.9	67.6	0	0	0	110.1	T481 C607 D608 C643 T645 F646	T481-L641 HydrophobicContact CG2-CB 4.24Å; T481-L641 HydrophobicContact CG2-CD2 3.69Å; C607-L641 WeakPolarHBondContact CA-O 3.33Å; C607-L641 VanDerWaalsContact CB-O 3.32Å; C607-L641 WeakPolarHBondContact CB-O 3.28Å; D608-L641 PolarHBondContact N-O 2.77Å; L641-C643 PolarHBondContact O-N 3.18Å; L641-T645 HydrophobicContact CD1-CG2 3.98Å; L641-T645 HydrophobicContact CD2-CG2 3.83Å; L641-T645 HydrophobicContact CG-CG2 4.14Å; L641-F646 HydrophobicContact CD2-CB 4.18Å
642	S	70.3	Confident	71.8	Confident	50 Å²	50	60 Å²	60	35%	0.35	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-57.5	141.6	178.8	71.9	0	0	0	0	110.6	D608 D644 T645 F646	D608-S642 WeakPolarHBondContact OD1-CA 3.44Å; S642-D644 PolarHBondContact O-N 2.95Å; S642-D644 VanDerWaalsContact O-N 3.12Å; S642-T645 PolarHBondContact O-N 3.38Å; S642-T645 PolarHBondContact OG-N 2.75Å; S642-T645 PolarHBondContact OG-OG1 3.17Å; S642-F646 WeakPolarHBondContact O-CB 3.45Å; S642-F646 PolarHBondContact O-N 2.93Å
643	C	65.9	Low	71.5	Confident	31 Å²	31	62 Å²	62	21%	0.209	33%	0.328	C	S	.	.	H	α-helix	trans	-56.9	-32.9	-177.3	-68.7	0	0	0	0	112	C607 D608 L641 M647	C607-C643 HydrophobicContact CB-CB 3.85Å; C607-C643 WeakPolarHBondContact CB-SG 3.39Å; C607-C643 WeakPolarHBondContact SG-CA 3.21Å; C607-C643 WeakPolarHBondContact SG-CB 3.45Å; C607-C643 CovalentContact SG-SG 2.03Å; C607-C643 PolarHBondContact SG-SG 3.5Å; D608-C643 PolarHBondContact OD1-N 2.8Å; D608-C643 PolarHBondContact OD2-SG 2.8Å; L641-C643 PolarHBondContact O-N 3.18Å; C643-M647 VanDerWaalsContact O-CB 3.26Å; C643-M647 WeakPolarHBondContact O-CB 3.31Å; C643-M647 WeakPolarHBondContact O-CG 3.47Å; C643-M647 PolarHBondContact O-N 3.42Å
644	D	68.8	Low	71.4	Confident	65 Å²	65	58.2 Å²	58.2	35%	0.348	31%	0.308	S	S	.	.	H	α-helix	trans	-62.7	-49.2	174.4	-175.1	34.7	0	0	0	111.8	S642 M647 R648	S642-D644 PolarHBondContact O-N 2.95Å; S642-D644 VanDerWaalsContact O-N 3.12Å; D644-M647 PolarHBondContact O-N 3.4Å; D644-R648 WeakPolarHBondContact O-CG 3.33Å; D644-R648 PolarHBondContact O-N 3.4Å; D644-R648 IonicContact OD1-CZ 2.69Å; D644-R648 IonicContact OD1-NE 3.94Å; D644-R648 PolarHBondContact OD1-NE 2.91Å; D644-R648 IonicContact OD1-NH2 2.67Å; D644-R648 IonicContact OD2-CZ 3.07Å; D644-R648 VanDerWaalsContact OD2-CZ 3.3Å; D644-R648 IonicContact OD2-NE 2.7Å; D644-R648 PolarHBondContact OD2-NE 2.99Å; D644-R648 IonicContact OD2-NH2 3.26Å; D644-R648 PolarHBondContact OD2-NH2 2.92Å
645	T	66.3	Low	71.4	Confident	57 Å²	57	56 Å²	56	35%	0.35	30%	0.298	S	S	.	.	H	α-helix	trans	-68.1	-41.6	-179.5	-39.5	0	0	0	0	111.1	L641 S642 M647 R648 T649	L641-T645 HydrophobicContact CD1-CG2 3.98Å; L641-T645 HydrophobicContact CD2-CG2 3.83Å; L641-T645 HydrophobicContact CG-CG2 4.14Å; S642-T645 PolarHBondContact O-N 3.38Å; S642-T645 PolarHBondContact OG-N 2.75Å; S642-T645 PolarHBondContact OG-OG1 3.17Å; T645-M647 VanDerWaalsContact C-N 3.32Å; T645-M647 PolarHBondContact O-N 3.31Å; T645-R648 PolarHBondContact O-N 3.04Å; T645-T649 WeakPolarHBondContact O-CG2 3.45Å; T645-T649 PolarHBondContact O-N 2.93Å; T645-T649 PolarHBondContact O-OG1 3.27Å
646	F	65.4	Low	71.5	Confident	25 Å²	25	52.8 Å²	52.8	11%	0.11	29%	0.293	C	S	.	.	H	α-helix	trans	-60	-40.2	176	177	-96.8	0	0	0	112.8	L477 C607 L641 S642 T649 H650	L477-F646 HydrophobicContact CB-CE2 4.43Å; L477-F646 HydrophobicContact CB-CZ 3.94Å; L477-F646 HydrophobicContact CD1-CD1 4.39Å; L477-F646 HydrophobicContact CD1-CE1 3.37Å; L477-F646 HydrophobicContact CD1-CE2 4.12Å; L477-F646 HydrophobicContact CD1-CZ 3.21Å; L477-F646 HydrophobicContact CG-CZ 4.13Å; C607-F646 HydrophobicContact CB-CB 4.08Å; C607-F646 HydrophobicContact CB-CD1 4.25Å; C607-F646 HydrophobicContact CB-CG 4.16Å; L641-F646 HydrophobicContact CD2-CB 4.18Å; S642-F646 WeakPolarHBondContact O-CB 3.45Å; S642-F646 PolarHBondContact O-N 2.93Å; F646-T649 PolarHBondContact O-OG1 3.31Å; F646-H650 AromaticContact CD2-CE1 3.88Å; F646-H650 AromaticContact CD2-ND1 3.84Å; F646-H650 AromaticContact CE2-CE1 3.71Å; F646-H650 AromaticContact CE2-ND1 3.83Å; F646-H650 PolarHBondContact O-N 2.63Å; F646-H650 PolarHBondContact O-ND1 2.69Å
647	M	67.1	Low	71.6	Confident	43 Å²	43	50.6 Å²	50.6	21%	0.212	28%	0.283	C	S	.	.	H	α-helix	trans	-71.7	-34.3	176.8	-69.4	-65.3	-64.6	0	0	111.8	C643 D644 T645 H650 A651 I654 F695	C643-M647 VanDerWaalsContact O-CB 3.26Å; C643-M647 WeakPolarHBondContact O-CB 3.31Å; C643-M647 WeakPolarHBondContact O-CG 3.47Å; C643-M647 PolarHBondContact O-N 3.42Å; D644-M647 PolarHBondContact O-N 3.4Å; T645-M647 VanDerWaalsContact C-N 3.32Å; T645-M647 PolarHBondContact O-N 3.31Å; M647-H650 CarbonylContact O-C 3.54Å; M647-A651 WeakPolarHBondContact O-CA 3.25Å; M647-A651 WeakPolarHBondContact O-CB 3.17Å; M647-A651 PolarHBondContact O-N 2.89Å; M647-I654 HydrophobicContact CE-CD1 3.55Å; M647-I654 HydrophobicContact CE-CG2 4.05Å; M647-I654 HydrophobicContact SD-CD1 3.51Å; M647-I654 VanDerWaalsContact SD-CD1 3.51Å; M647-F695 HydrophobicContact CE-CD1 4.33Å; M647-F695 HydrophobicContact CE-CE1 3.61Å
648	R	69	Low	72.2	Confident	143 Å²	143	53.9 Å²	53.9	54%	0.54	29%	0.294	S	S	.	.	H	α-helix	trans	-66.9	-44	174.7	-72.3	177.9	-161.7	-166.5	5.7	112.2	D644 T645 H650 A651 Y702	D644-R648 WeakPolarHBondContact O-CG 3.33Å; D644-R648 PolarHBondContact O-N 3.4Å; D644-R648 IonicContact OD1-CZ 2.69Å; D644-R648 IonicContact OD1-NE 3.94Å; D644-R648 PolarHBondContact OD1-NE 2.91Å; D644-R648 IonicContact OD1-NH2 2.67Å; D644-R648 IonicContact OD2-CZ 3.07Å; D644-R648 VanDerWaalsContact OD2-CZ 3.3Å; D644-R648 IonicContact OD2-NE 2.7Å; D644-R648 PolarHBondContact OD2-NE 2.99Å; D644-R648 IonicContact OD2-NH2 3.26Å; D644-R648 PolarHBondContact OD2-NH2 2.92Å; T645-R648 PolarHBondContact O-N 3.04Å; R648-H650 VanDerWaalsContact C-N 3.27Å; R648-H650 PolarHBondContact O-N 2.93Å; R648-A651 WeakPolarHBondContact O-CB 3.21Å; R648-A651 PolarHBondContact O-N 3.13Å; R648-Y702 HydrophobicContact CG-CE1 4.34Å
649	T	65.2	Low	72.9	Confident	51 Å²	51	56.2 Å²	56.2	31%	0.313	30%	0.304	S	S	.	.	H	α-helix	trans	-63.9	-36	180	56.1	0	0	0	0	111.6	L517 T645 F646	L517-T649 WeakPolarHBondContact CD1-O 3.21Å; T645-T649 WeakPolarHBondContact O-CG2 3.45Å; T645-T649 PolarHBondContact O-N 2.93Å; T645-T649 PolarHBondContact O-OG1 3.27Å; F646-T649 PolarHBondContact O-OG1 3.31Å
650	H	71.3	Confident	73.5	Confident	9 Å²	9	54.5 Å²	54.5	4%	0.042	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	16.9	-179.5	-55.8	96.2	0	0	0	113.3	L477 F646 M647 R648 A652 E653 I654	L477-H650 HydrophobicContact CD1-CB 3.62Å; L477-H650 HydrophobicContact CD2-CB 3.86Å; L477-H650 HydrophobicContact CG-CB 4.33Å; F646-H650 AromaticContact CD2-CE1 3.88Å; F646-H650 AromaticContact CD2-ND1 3.84Å; F646-H650 AromaticContact CE2-CE1 3.71Å; F646-H650 AromaticContact CE2-ND1 3.83Å; F646-H650 PolarHBondContact O-N 2.63Å; F646-H650 PolarHBondContact O-ND1 2.69Å; M647-H650 CarbonylContact O-C 3.54Å; R648-H650 VanDerWaalsContact C-N 3.27Å; R648-H650 PolarHBondContact O-N 2.93Å; H650-A652 VanDerWaalsContact C-N 3.31Å; H650-A652 PolarHBondContact O-N 2.81Å; H650-E653 PolarHBondContact O-N 2.95Å; H650-I654 HydrophobicContact CB-CD1 4.03Å; H650-I654 HydrophobicContact CB-CG1 4.35Å; H650-I654 VanDerWaalsContact O-CG1 3.29Å; H650-I654 WeakPolarHBondContact O-CG1 3.44Å; H650-I654 PolarHBondContact O-N 2.92Å
651	A	72.7	Confident	74.4	Confident	4 Å²	4	57.9 Å²	57.9	3%	0.033	30%	0.3	C	S	.	.	H	α-helix	trans	-59.3	-41.7	-171.7	0	0	0	0	0	112.2	M647 R648 I654 C655	M647-A651 WeakPolarHBondContact O-CA 3.25Å; M647-A651 WeakPolarHBondContact O-CB 3.17Å; M647-A651 PolarHBondContact O-N 2.89Å; R648-A651 WeakPolarHBondContact O-CB 3.21Å; R648-A651 PolarHBondContact O-N 3.13Å; A651-I654 PolarHBondContact O-N 3.1Å; A651-C655 WeakPolarHBondContact O-CB 3.45Å; A651-C655 PolarHBondContact O-N 3.44Å; A651-C655 PolarHBondContact O-SG 2.66Å; A651-C655 VanDerWaalsContact O-SG 3.35Å
652	A	72.4	Confident	75.3	Confident	48 Å²	48	55.8 Å²	55.8	40%	0.397	29%	0.294	S	S	.	.	H	α-helix	trans	-60.9	-48.8	-179.1	0	0	0	0	0	112.1	H650 S656 L706	H650-A652 VanDerWaalsContact C-N 3.31Å; H650-A652 PolarHBondContact O-N 2.81Å; A652-S656 VanDerWaalsContact O-CB 3.32Å; A652-S656 WeakPolarHBondContact O-CB 3.45Å; A652-S656 PolarHBondContact O-N 2.94Å; A652-S656 VanDerWaalsContact O-N 3.09Å; A652-S656 PolarHBondContact O-OG 2.91Å; A652-L706 HydrophobicContact CB-CD2 3.72Å
653	E	73.8	Confident	75.8	Confident	91 Å²	91	59.8 Å²	59.8	43%	0.425	31%	0.307	S	S	.	.	H	α-helix	trans	-62.3	-49.9	177.3	-69.5	179.4	-147.5	0	0	111.3	L477 H650 C655 S656	L477-E653 WeakPolarHBondContact CD2-OE2 3.5Å; H650-E653 PolarHBondContact O-N 2.95Å; E653-C655 PolarHBondContact O-N 3.39Å; E653-S656 PolarHBondContact O-N 2.77Å; E653-S656 PolarHBondContact O-OG 2.89Å
654	I	77.7	Confident	76.7	Confident	2 Å²	2	61 Å²	61	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-63	-45.5	-177.1	-65.6	172.1	0	0	0	111.5	L477 M647 H650 A651 S656 E657 R692 N693 F695	L477-I654 HydrophobicContact CD1-CD1 4.08Å; L477-I654 HydrophobicContact CD1-CG1 4.42Å; M647-I654 HydrophobicContact CE-CD1 3.55Å; M647-I654 HydrophobicContact CE-CG2 4.05Å; M647-I654 HydrophobicContact SD-CD1 3.51Å; M647-I654 VanDerWaalsContact SD-CD1 3.51Å; H650-I654 HydrophobicContact CB-CD1 4.03Å; H650-I654 HydrophobicContact CB-CG1 4.35Å; H650-I654 VanDerWaalsContact O-CG1 3.29Å; H650-I654 WeakPolarHBondContact O-CG1 3.44Å; H650-I654 PolarHBondContact O-N 2.92Å; A651-I654 PolarHBondContact O-N 3.1Å; I654-S656 VanDerWaalsContact C-N 3.28Å; I654-S656 PolarHBondContact O-N 3.08Å; I654-E657 PolarHBondContact O-N 3.34Å; I654-R692 HydrophobicContact CB-CB 4.31Å; I654-R692 HydrophobicContact CG1-CB 4.04Å; I654-R692 HydrophobicContact CG2-CB 3.64Å; I654-R692 VanDerWaalsContact CG2-O 3.29Å; I654-R692 WeakPolarHBondContact CG2-O 3.47Å; I654-N693 WeakPolarHBondContact O-CB 3.32Å; I654-F695 HydrophobicContact CG2-CE1 4.3Å; I654-F695 HydrophobicContact CG2-CZ 3.98Å
655	C	81.4	Confident	77.5	Confident	2 Å²	2	67.5 Å²	67.5	1%	0.014	34%	0.343	C	S	.	.	H	α-helix	trans	-72.7	-21.4	-178.5	-71.9	0	0	0	0	112.8	A651 E653 E657 F673 L706	A651-C655 WeakPolarHBondContact O-CB 3.45Å; A651-C655 PolarHBondContact O-N 3.44Å; A651-C655 PolarHBondContact O-SG 2.66Å; A651-C655 VanDerWaalsContact O-SG 3.35Å; E653-C655 PolarHBondContact O-N 3.39Å; C655-E657 VanDerWaalsContact C-N 3.29Å; C655-E657 PolarHBondContact O-N 3.17Å; C655-F673 HydrophobicContact CB-CB 4.02Å; C655-F673 HydrophobicContact CB-CD1 3.66Å; C655-F673 HydrophobicContact CB-CE1 4.37Å; C655-F673 HydrophobicContact CB-CG 4Å; C655-F673 WeakPolarHBondContact O-CD1 3.35Å; C655-L706 HydrophobicContact CB-CD1 3.89Å
656	S	80.9	Confident	78	Confident	74 Å²	74	65.9 Å²	65.9	52%	0.517	34%	0.338	S	S	.	.	H	α-helix	trans	-74.4	-17.4	176.2	74	0	0	0	0	113.8	A652 E653 I654	A652-S656 VanDerWaalsContact O-CB 3.32Å; A652-S656 WeakPolarHBondContact O-CB 3.45Å; A652-S656 PolarHBondContact O-N 2.94Å; A652-S656 VanDerWaalsContact O-N 3.09Å; A652-S656 PolarHBondContact O-OG 2.91Å; E653-S656 PolarHBondContact O-N 2.77Å; E653-S656 PolarHBondContact O-OG 2.89Å; I654-S656 VanDerWaalsContact C-N 3.28Å; I654-S656 PolarHBondContact O-N 3.08Å
657	E	84.1	Confident	78.8	Confident	32 Å²	32	70 Å²	70	15%	0.15	37%	0.365	C	S	.	.	S	Bend	trans	-67.5	149.5	179.3	-60	177.5	176	0	0	111.9	I654 C655 N691 R692 N693	I654-E657 PolarHBondContact O-N 3.34Å; C655-E657 VanDerWaalsContact C-N 3.29Å; C655-E657 PolarHBondContact O-N 3.17Å; E657-N691 WeakPolarHBondContact OE2-CB 2.92Å; E657-R692 IonicContact OE1-CZ 2.72Å; E657-R692 IonicContact OE1-NE 2.66Å; E657-R692 PolarHBondContact OE1-NE 2.95Å; E657-R692 IonicContact OE1-NH2 3.25Å; E657-R692 PolarHBondContact OE1-NH2 3.47Å; E657-R692 PolarHBondContact OE2-N 3.23Å; E657-R692 IonicContact OE2-NE 2.92Å; E657-N693 HydrophobicContact CB-CB 4.08Å; E657-N693 PolarHBondContact O-ND2 3.04Å
658	L	87.2	Confident	79.5	Confident	143 Å²	143	72.4 Å²	72.4	75%	0.749	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-64.6	167.5	170.2	-62.7	177.7	0	0	0	111	N691	L658-N691 PolarHBondContact O-ND2 2.75Å
659	M	87.2	Confident	80.1	Confident	65 Å²	65	70.8 Å²	70.8	32%	0.32	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-82.2	130.7	171.5	60.1	150.7	-68.2	0	0	112	R661 Y672 F683	M659-R661 HydrophobicContact CE-CG 3.63Å; M659-Y672 HydrophobicContact CB-CD1 3.82Å; M659-Y672 HydrophobicContact CB-CD2 3.58Å; M659-Y672 HydrophobicContact CB-CE1 4.12Å; M659-Y672 HydrophobicContact CB-CE2 3.9Å; M659-Y672 HydrophobicContact CB-CG 3.53Å; M659-Y672 HydrophobicContact CG-CD1 4.17Å; M659-Y672 HydrophobicContact CG-CD2 4.07Å; M659-Y672 HydrophobicContact CG-CE1 3.93Å; M659-Y672 HydrophobicContact CG-CE2 3.82Å; M659-Y672 HydrophobicContact CG-CG 4.22Å; M659-Y672 HydrophobicContact SD-CD1 3.84Å; M659-Y672 HydrophobicContact SD-CE1 3.33Å; M659-Y672 WeakPolarHBondContact SD-CE1 3.26Å; M659-Y672 HydrophobicContact SD-CE2 4.28Å; M659-Y672 HydrophobicContact SD-CG 4.48Å; M659-Y672 VanDerWaalsContact SD-CZ 3.58Å; M659-F683 HydrophobicContact CE-CB 3.59Å; M659-F683 HydrophobicContact CE-CD2 3.43Å; M659-F683 VanDerWaalsContact CE-CD2 3.43Å; M659-F683 HydrophobicContact CE-CE2 4.3Å; M659-F683 HydrophobicContact CE-CG 3.77Å; M659-F683 HydrophobicContact SD-CB 3.88Å; M659-F683 HydrophobicContact SD-CG 4.33Å
660	E	86.5	Confident	81.1	Confident	77 Å²	77	71.1 Å²	71.1	36%	0.36	38%	0.378	S	S	.	.			trans	-119.5	117.9	174.3	-168.2	169.4	-171.8	0	0	111.6	G662 N691	E660-G662 PolarHBondContact O-N 3.45Å; E660-N691 HydrophobicContact CB-CB 4.18Å; E660-N691 PolarHBondContact N-OD1 2.83Å
661	R	85.5	Confident	81.7	Confident	141 Å²	141	73.7 Å²	73.7	53%	0.532	39%	0.388	S	S	.	.			trans	-66.9	-24.7	-179.5	-62.2	-177.4	71.6	-174.7	0.3	112.4	M659 F683 T684 Y685 T686	M659-R661 HydrophobicContact CE-CG 3.63Å; R661-F683 HydrophobicContact CG-CD2 4.36Å; R661-T684 WeakPolarHBondContact CB-O 3.41Å; R661-T684 WeakPolarHBondContact CG-O 3.23Å; R661-T684 PolarHBondContact NE-O 3.19Å; R661-Y685 CarbonylContact O-C 3.58Å; R661-Y685 WeakPolarHBondContact O-CA 3.37Å; R661-Y685 VanDerWaalsContact O-CD2 3.24Å; R661-Y685 WeakPolarHBondContact O-CD2 3.05Å; R661-T686 HydrophobicContact CB-CG2 4.44Å; R661-T686 WeakPolarHBondContact O-CB 3.04Å; R661-T686 WeakPolarHBondContact O-CG2 3.49Å; R661-T686 PolarHBondContact O-N 2.73Å; R661-T686 PolarHBondContact O-OG1 2.78Å
662	G	82.7	Confident	82.3	Confident	18 Å²	18	75.1 Å²	75.1	19%	0.186	39%	0.392	C	S	.	.			trans	85.5	167.7	-172.5	0	0	0	0	0	113.8	E660 T686 C688 K689	E660-G662 PolarHBondContact O-N 3.45Å; G662-T686 WeakPolarHBondContact CA-OG1 3.15Å; G662-T686 PolarHBondContact O-OG1 2.93Å; G662-C688 WeakPolarHBondContact CA-O 3.36Å; G662-K689 WeakPolarHBondContact CA-O 3.43Å
663	Q	81.5	Confident	82.8	Confident	135 Å²	135	73.1 Å²	73.1	63%	0.631	38%	0.375	S	S	*	.	S	Bend	trans	-105	10.2	-170.3	-58.4	172.7	0.2	0	0	114.2	T686 C688 K689	Q663-T686 PolarHBondContact N-OG1 2.95Å; Q663-C688 PolarHBondContact N-O 2.02Å; Q663-K689 HydrophobicContact CB-CD 4.05Å; Q663-K689 HydrophobicContact CG-CD 4.24Å; Q663-K689 VanDerWaalsContact OE1-CD 3.25Å
664	C	83.7	Confident	83.2	Confident	56 Å²	56	70 Å²	70	38%	0.378	36%	0.361	S	S	.	.	S	Bend	trans	-92.3	-176.5	177.2	-84.5	0	0	0	0	111.9	T686 C688	C664-T686 WeakPolarHBondContact CB-O 3.24Å; C664-T686 PolarHBondContact N-OG1 2.86Å; C664-T686 VanDerWaalsContact N-OG1 3.1Å; C664-T686 WeakPolarHBondContact O-CB 3.19Å; C664-T686 WeakPolarHBondContact O-CG2 3.08Å; C664-T686 PolarHBondContact O-OG1 3.41Å; C664-C688 HydrophobicContact CB-CB 3.98Å; C664-C688 WeakPolarHBondContact CB-SG 3.47Å; C664-C688 WeakPolarHBondContact SG-CB 3.03Å; C664-C688 CovalentContact SG-SG 2.02Å; C664-C688 PolarHBondContact SG-SG 2.88Å
665	E	85.4	Confident	83.2	Confident	202 Å²	202	73.2 Å²	73.2	94%	0.944	38%	0.383	S	S	*	.	S	Bend	trans	-108.9	13.1	-179.1	-60.3	-159.2	162.6	0	0	114.7
666	G	76.5	Confident	83	Confident	22 Å²	22	76.4 Å²	76.4	23%	0.227	42%	0.417	C	S	.	.			trans	-74.5	166.3	173.9	0	0	0	0	0	113.2	T686	G666-T686 WeakPolarHBondContact CA-O 3.17Å; G666-T686 PolarHBondContact N-O 2.78Å; G666-T686 VanDerWaalsContact O-CA 3.24Å; G666-T686 WeakPolarHBondContact O-CA 3.29Å
667	T	83	Confident	83	Confident	111 Å²	111	75.7 Å²	75.7	68%	0.681	41%	0.41	S	S	*	.			trans	-132.6	94.7	172.4	-64	0	0	0	0	108.5	T684	T667-T684 HydrophobicContact CG2-CG2 3.57Å
668	F	81.5	Confident	82.5	Confident	94 Å²	94	80.8 Å²	80.8	41%	0.412	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	114.5	-179	-57.6	-81.1	0	0	0	109	R670 Y685 G687	F668-R670 PolarHBondContact O-N 2.04Å; F668-Y685 HydrophobicContact CB-CD1 4.32Å; F668-Y685 WeakPolarHBondContact CB-O 3.23Å; F668-Y685 HydrophobicContact CD2-CD1 4.44Å; F668-Y685 WeakPolarHBondContact CD2-O 3.25Å; F668-Y685 PolarHBondContact N-O 2.83Å; F668-Y685 PolarHBondContact O-N 3.24Å; F668-G687 VanDerWaalsContact CE2-CA 3.43Å
669	P	82.6	Confident	82	Confident	109 Å²	109	77.2 Å²	77.2	71%	0.708	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.3	126.6	176.6	28.1	-32.7	0	0	0	109.6
670	R	86.1	Confident	81.5	Confident	58 Å²	58	75.2 Å²	75.2	22%	0.219	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	170.3	-178.1	-64.7	-67.7	179.7	88.2	-3.5	110	F668 R682 F683 Y685 N694 F695	F668-R670 PolarHBondContact O-N 2.04Å; R670-R682 CarbonylContact O-C 3.59Å; R670-R682 WeakPolarHBondContact O-CA 2.89Å; R670-F683 HydrophobicContact CB-CD1 3.93Å; R670-F683 HydrophobicContact CB-CE1 3.45Å; R670-F683 VanDerWaalsContact CB-CE1 3.45Å; R670-F683 HydrophobicContact CB-CZ 3.9Å; R670-F683 PolarHBondContact N-O 3.19Å; R670-F683 PolarHBondContact O-N 3.46Å; R670-Y685 HydrophobicContact CG-CD1 4.45Å; R670-Y685 HydrophobicContact CG-CG 4.37Å; R670-N694 VanDerWaalsContact CB-OD1 3.29Å; R670-N694 WeakPolarHBondContact CB-OD1 3.1Å; R670-N694 VanDerWaalsContact CD-OD1 3.25Å; R670-N694 WeakPolarHBondContact CD-OD1 3.38Å; R670-N694 WeakPolarHBondContact CG-OD1 3.24Å; R670-N694 PolarHBondContact NH1-OD1 3.33Å; R670-F695 CarbonylContact C-O 3.52Å; R670-F695 WeakPolarHBondContact CA-O 3.24Å
671	Y	82.4	Confident	81.4	Confident	64 Å²	64	76.8 Å²	76.8	25%	0.251	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	144.9	175.4	-65.3	-90.7	0	0	0	109.9	R681 R682 F695 R698	Y671-R681 CarbonylContact C-O 3.45Å; Y671-R681 VanDerWaalsContact CA-O 3.23Å; Y671-R681 WeakPolarHBondContact CA-O 3.3Å; Y671-R682 HydrophobicContact CD1-CB 4.07Å; Y671-R682 HydrophobicContact CE1-CB 3.89Å; Y671-F695 PolarHBondContact N-O 3.39Å; Y671-F695 WeakPolarHBondContact O-CD2 3.23Å; Y671-F695 PolarHBondContact O-N 3.4Å; Y671-R698 HydrophobicContact CD1-CB 3.77Å; Y671-R698 HydrophobicContact CD1-CG 4.06Å; Y671-R698 HydrophobicContact CD2-CB 4.32Å; Y671-R698 HydrophobicContact CE1-CB 3.77Å; Y671-R698 HydrophobicContact CE1-CG 4.16Å; Y671-R698 HydrophobicContact CE2-CB 4.32Å; Y671-R698 HydrophobicContact CG-CB 4.06Å
672	Y	86	Confident	81.3	Confident	33 Å²	33	79.3 Å²	79.3	13%	0.129	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	151.7	171.8	76.5	-83.8	0	0	0	109	M659 D674 C680 R681 F683 N693	M659-Y672 HydrophobicContact CB-CD1 3.82Å; M659-Y672 HydrophobicContact CB-CD2 3.58Å; M659-Y672 HydrophobicContact CB-CE1 4.12Å; M659-Y672 HydrophobicContact CB-CE2 3.9Å; M659-Y672 HydrophobicContact CB-CG 3.53Å; M659-Y672 HydrophobicContact CG-CD1 4.17Å; M659-Y672 HydrophobicContact CG-CD2 4.07Å; M659-Y672 HydrophobicContact CG-CE1 3.93Å; M659-Y672 HydrophobicContact CG-CE2 3.82Å; M659-Y672 HydrophobicContact CG-CG 4.22Å; M659-Y672 HydrophobicContact SD-CD1 3.84Å; M659-Y672 HydrophobicContact SD-CE1 3.33Å; M659-Y672 WeakPolarHBondContact SD-CE1 3.26Å; M659-Y672 HydrophobicContact SD-CE2 4.28Å; M659-Y672 HydrophobicContact SD-CG 4.48Å; M659-Y672 VanDerWaalsContact SD-CZ 3.58Å; Y672-D674 HydrophobicContact CD2-CB 4.46Å; Y672-D674 HydrophobicContact CE2-CB 3.81Å; Y672-C680 CarbonylContact O-C 3.36Å; Y672-C680 VanDerWaalsContact O-CA 3.26Å; Y672-C680 WeakPolarHBondContact O-CA 3.45Å; Y672-R681 HydrophobicContact CD1-CB 4.19Å; Y672-R681 WeakPolarHBondContact CD1-O 3.03Å; Y672-R681 HydrophobicContact CE1-CB 3.63Å; Y672-R681 PolarHBondContact N-O 3.34Å; Y672-R681 PolarHBondContact O-N 2.88Å; Y672-F683 HydrophobicContact CD1-CB 3.9Å; Y672-F683 AromaticContact CD1-CD1 3.66Å; Y672-F683 HydrophobicContact CD1-CD1 3.66Å; Y672-F683 HydrophobicContact CD1-CE1 4.43Å; Y672-F683 AromaticContact CD1-CG 3.98Å; Y672-F683 HydrophobicContact CD1-CG 3.98Å; Y672-F683 HydrophobicContact CE1-CB 4.12Å; Y672-F683 HydrophobicContact CG-CD1 4.27Å; Y672-N693 WeakPolarHBondContact CA-OD1 3.14Å; Y672-N693 WeakPolarHBondContact CB-O 3.32Å
673	F	82.8	Confident	81.5	Confident	6 Å²	6	79.2 Å²	79.2	3%	0.026	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	121.1	172.6	-176.4	-101.4	0	0	0	109.9	C655 K678 N693 F695 A703 L706	C655-F673 HydrophobicContact CB-CB 4.02Å; C655-F673 HydrophobicContact CB-CD1 3.66Å; C655-F673 HydrophobicContact CB-CE1 4.37Å; C655-F673 HydrophobicContact CB-CG 4Å; C655-F673 WeakPolarHBondContact O-CD1 3.35Å; F673-K678 HydrophobicContact CZ-CB 4.32Å; F673-N693 PolarHBondContact N-OD1 3.35Å; F673-N693 PolarHBondContact O-ND2 2.87Å; F673-F695 HydrophobicContact CB-CE2 4.43Å; F673-A703 HydrophobicContact CD2-CB 3.98Å; F673-A703 HydrophobicContact CE2-CB 3.44Å; F673-A703 VanDerWaalsContact CE2-CB 3.44Å; F673-A703 HydrophobicContact CZ-CB 4.27Å; F673-L706 HydrophobicContact CD1-CD1 4.26Å; F673-L706 HydrophobicContact CE1-CD1 3.61Å; F673-L706 HydrophobicContact CZ-CD1 4.2Å
674	D	82.9	Confident	81.6	Confident	27 Å²	27	75 Å²	75	14%	0.144	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	109.1	174	179.8	-19.6	0	0	0	108.5	Y672 G676 T677 K678 T679 R681	Y672-D674 HydrophobicContact CD2-CB 4.46Å; Y672-D674 HydrophobicContact CE2-CB 3.81Å; D674-G676 VanDerWaalsContact C-N 3.27Å; D674-G676 PolarHBondContact O-N 2.94Å; D674-G676 PolarHBondContact OD1-N 2.95Å; D674-T677 WeakPolarHBondContact CB-OG1 3.06Å; D674-T677 VanDerWaalsContact CG-OG1 3.31Å; D674-T677 PolarHBondContact O-N 3.39Å; D674-T677 PolarHBondContact OD1-N 2.88Å; D674-T677 PolarHBondContact OD2-OG1 3Å; D674-K678 VanDerWaalsContact O-CA 3.27Å; D674-K678 WeakPolarHBondContact O-CA 3.09Å; D674-K678 PolarHBondContact O-N 3.18Å; D674-T679 PolarHBondContact N-O 3.35Å; D674-T679 PolarHBondContact O-N 3.19Å; D674-R681 HydrophobicContact CB-CG 4.41Å; D674-R681 WeakPolarHBondContact OD2-CD 3.49Å; D674-R681 IonicContact OD2-CZ 3.18Å; D674-R681 IonicContact OD2-NE 3.53Å; D674-R681 PolarHBondContact OD2-NE 3.41Å; D674-R681 IonicContact OD2-NH1 2.87Å; D674-R681 PolarHBondContact OD2-NH1 3.37Å
675	S	76.4	Confident	81.7	Confident	68 Å²	68	73.7 Å²	73.7	48%	0.476	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-32.4	-178.9	56.7	0	0	0	0	113.1
676	G	78.9	Confident	81.5	Confident	70 Å²	70	64.9 Å²	64.9	72%	0.722	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-39.8	179.6	0	0	0	0	0	112.5	D674	D674-G676 VanDerWaalsContact C-N 3.27Å; D674-G676 PolarHBondContact O-N 2.94Å; D674-G676 PolarHBondContact OD1-N 2.95Å
677	T	80.2	Confident	81.6	Confident	59 Å²	59	65.5 Å²	65.5	36%	0.362	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-4.2	176.2	63.7	0	0	0	0	114.3	D674 T679 R681	D674-T677 WeakPolarHBondContact CB-OG1 3.06Å; D674-T677 VanDerWaalsContact CG-OG1 3.31Å; D674-T677 PolarHBondContact O-N 3.39Å; D674-T677 PolarHBondContact OD1-N 2.88Å; D674-T677 PolarHBondContact OD2-OG1 3Å; T677-T679 WeakPolarHBondContact O-CG2 3.18Å; T677-T679 PolarHBondContact O-N 3.12Å; T677-T679 PolarHBondContact OG1-OG1 2.99Å; T677-R681 PolarHBondContact OG1-NE 3Å
678	K	72.7	Confident	81.3	Confident	138 Å²	138	62 Å²	62	60%	0.6	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	33.5	-173	-58.3	-173.2	176.2	-172.3	0	112.9	F673 D674	F673-K678 HydrophobicContact CZ-CB 4.32Å; D674-K678 VanDerWaalsContact O-CA 3.27Å; D674-K678 WeakPolarHBondContact O-CA 3.09Å; D674-K678 PolarHBondContact O-N 3.18Å
679	T	76.5	Confident	80.9	Confident	69 Å²	69	63.8 Å²	63.8	42%	0.423	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	147.4	-178.3	61.7	0	0	0	0	113.1	D674 T677 R681	D674-T679 PolarHBondContact N-O 3.35Å; D674-T679 PolarHBondContact O-N 3.19Å; T677-T679 WeakPolarHBondContact O-CG2 3.18Å; T677-T679 PolarHBondContact O-N 3.12Å; T677-T679 PolarHBondContact OG1-OG1 2.99Å; T679-R681 PolarHBondContact O-N 2.03Å
680	C	78.1	Confident	80.6	Confident	22 Å²	22	59.8 Å²	59.8	15%	0.149	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	115.2	172.9	-73.5	0	0	0	0	111.2	Y672 R698 S699	Y672-C680 CarbonylContact O-C 3.36Å; Y672-C680 VanDerWaalsContact O-CA 3.26Å; Y672-C680 WeakPolarHBondContact O-CA 3.45Å; C680-R698 HydrophobicContact CB-CG 3.92Å; C680-S699 PolarHBondContact SG-O 3.14Å
681	R	82.9	Confident	80.4	Confident	111 Å²	111	58.4 Å²	58.4	42%	0.419	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	151.1	179.1	-69.1	179.3	170.4	-171.6	-13.7	111	Y671 Y672 D674 T677 T679	Y671-R681 CarbonylContact C-O 3.45Å; Y671-R681 VanDerWaalsContact CA-O 3.23Å; Y671-R681 WeakPolarHBondContact CA-O 3.3Å; Y672-R681 HydrophobicContact CD1-CB 4.19Å; Y672-R681 WeakPolarHBondContact CD1-O 3.03Å; Y672-R681 HydrophobicContact CE1-CB 3.63Å; Y672-R681 PolarHBondContact N-O 3.34Å; Y672-R681 PolarHBondContact O-N 2.88Å; D674-R681 HydrophobicContact CB-CG 4.41Å; D674-R681 WeakPolarHBondContact OD2-CD 3.49Å; D674-R681 IonicContact OD2-CZ 3.18Å; D674-R681 IonicContact OD2-NE 3.53Å; D674-R681 PolarHBondContact OD2-NE 3.41Å; D674-R681 IonicContact OD2-NH1 2.87Å; D674-R681 PolarHBondContact OD2-NH1 3.37Å; T677-R681 PolarHBondContact OG1-NE 3Å; T679-R681 PolarHBondContact O-N 2.03Å
682	R	84.1	Confident	80.3	Confident	194 Å²	194	58.9 Å²	58.9	73%	0.732	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	147.2	176.9	87.7	176.2	77.6	-176.6	4.2	110.6	R670 Y671	R670-R682 CarbonylContact O-C 3.59Å; R670-R682 WeakPolarHBondContact O-CA 2.89Å; Y671-R682 HydrophobicContact CD1-CB 4.07Å; Y671-R682 HydrophobicContact CE1-CB 3.89Å
683	F	86.1	Confident	80.3	Confident	15 Å²	15	57.3 Å²	57.3	7%	0.066	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	171.7	169.2	80.1	-69.7	0	0	0	111.5	M659 R661 R670 Y672 N694	M659-F683 HydrophobicContact CE-CB 3.59Å; M659-F683 HydrophobicContact CE-CD2 3.43Å; M659-F683 VanDerWaalsContact CE-CD2 3.43Å; M659-F683 HydrophobicContact CE-CE2 4.3Å; M659-F683 HydrophobicContact CE-CG 3.77Å; M659-F683 HydrophobicContact SD-CB 3.88Å; M659-F683 HydrophobicContact SD-CG 4.33Å; R661-F683 HydrophobicContact CG-CD2 4.36Å; R670-F683 HydrophobicContact CB-CD1 3.93Å; R670-F683 HydrophobicContact CB-CE1 3.45Å; R670-F683 VanDerWaalsContact CB-CE1 3.45Å; R670-F683 HydrophobicContact CB-CZ 3.9Å; R670-F683 PolarHBondContact N-O 3.19Å; R670-F683 PolarHBondContact O-N 3.46Å; Y672-F683 HydrophobicContact CD1-CB 3.9Å; Y672-F683 AromaticContact CD1-CD1 3.66Å; Y672-F683 HydrophobicContact CD1-CD1 3.66Å; Y672-F683 HydrophobicContact CD1-CE1 4.43Å; Y672-F683 AromaticContact CD1-CG 3.98Å; Y672-F683 HydrophobicContact CD1-CG 3.98Å; Y672-F683 HydrophobicContact CE1-CB 4.12Å; Y672-F683 HydrophobicContact CG-CD1 4.27Å; F683-N694 HydrophobicContact CE1-CB 4.4Å; F683-N694 HydrophobicContact CZ-CB 3.88Å
684	T	85.5	Confident	80.3	Confident	46 Å²	46	58.2 Å²	58.2	28%	0.282	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	114.9	176.2	-56	0	0	0	0	109.9	R661 T667	R661-T684 WeakPolarHBondContact CB-O 3.41Å; R661-T684 WeakPolarHBondContact CG-O 3.23Å; R661-T684 PolarHBondContact NE-O 3.19Å; T667-T684 HydrophobicContact CG2-CG2 3.57Å
685	Y	84.1	Confident	80.1	Confident	30 Å²	30	57.7 Å²	57.7	12%	0.118	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	141.4	170.4	176.7	-126.8	0	0	0	110.9	R661 F668 R670 G687 C688 N694	R661-Y685 CarbonylContact O-C 3.58Å; R661-Y685 WeakPolarHBondContact O-CA 3.37Å; R661-Y685 VanDerWaalsContact O-CD2 3.24Å; R661-Y685 WeakPolarHBondContact O-CD2 3.05Å; F668-Y685 HydrophobicContact CB-CD1 4.32Å; F668-Y685 WeakPolarHBondContact CB-O 3.23Å; F668-Y685 HydrophobicContact CD2-CD1 4.44Å; F668-Y685 WeakPolarHBondContact CD2-O 3.25Å; F668-Y685 PolarHBondContact N-O 2.83Å; F668-Y685 PolarHBondContact O-N 3.24Å; R670-Y685 HydrophobicContact CG-CD1 4.45Å; R670-Y685 HydrophobicContact CG-CG 4.37Å; Y685-G687 PolarHBondContact OH-O 3.13Å; Y685-G687 VanDerWaalsContact OH-O 3.06Å; Y685-C688 VanDerWaalsContact OH-C 3.26Å; Y685-C688 WeakPolarHBondContact OH-CA 3.07Å; Y685-C688 PolarHBondContact OH-N 3.06Å; Y685-C688 VanDerWaalsContact OH-N 3.13Å; Y685-N694 WeakPolarHBondContact CD2-ND2 3.21Å
686	T	82.8	Confident	79.8	Confident	17 Å²	17	60.8 Å²	60.8	10%	0.104	32%	0.321	C	S	.	.			trans	-92.9	-1.4	-174.1	62.6	0	0	0	0	114.8	R661 G662 Q663 C664 G666	R661-T686 HydrophobicContact CB-CG2 4.44Å; R661-T686 WeakPolarHBondContact O-CB 3.04Å; R661-T686 WeakPolarHBondContact O-CG2 3.49Å; R661-T686 PolarHBondContact O-N 2.73Å; R661-T686 PolarHBondContact O-OG1 2.78Å; G662-T686 WeakPolarHBondContact CA-OG1 3.15Å; G662-T686 PolarHBondContact O-OG1 2.93Å; Q663-T686 PolarHBondContact N-OG1 2.95Å; C664-T686 WeakPolarHBondContact CB-O 3.24Å; C664-T686 PolarHBondContact N-OG1 2.86Å; C664-T686 VanDerWaalsContact N-OG1 3.1Å; C664-T686 WeakPolarHBondContact O-CB 3.19Å; C664-T686 WeakPolarHBondContact O-CG2 3.08Å; C664-T686 PolarHBondContact O-OG1 3.41Å; G666-T686 WeakPolarHBondContact CA-O 3.17Å; G666-T686 PolarHBondContact N-O 2.78Å; G666-T686 VanDerWaalsContact O-CA 3.24Å; G666-T686 WeakPolarHBondContact O-CA 3.29Å
687	G	77	Confident	79.5	Confident	35 Å²	35	61.5 Å²	61.5	36%	0.361	31%	0.312	S	S	.	.	S	Bend	trans	104.6	-24	174	0	0	0	0	0	114.3	F668 Y685	F668-G687 VanDerWaalsContact CE2-CA 3.43Å; Y685-G687 PolarHBondContact OH-O 3.13Å; Y685-G687 VanDerWaalsContact OH-O 3.06Å
688	C	77.7	Confident	78.8	Confident	36 Å²	36	66.3 Å²	66.3	24%	0.243	32%	0.323	C	S	.	.	S	Bend	trans	-141.1	160.7	175.8	82.1	0	0	0	0	112.6	G662 Q663 C664 Y685 G690	G662-C688 WeakPolarHBondContact CA-O 3.36Å; Q663-C688 PolarHBondContact N-O 2.02Å; C664-C688 HydrophobicContact CB-CB 3.98Å; C664-C688 WeakPolarHBondContact CB-SG 3.47Å; C664-C688 WeakPolarHBondContact SG-CB 3.03Å; C664-C688 CovalentContact SG-SG 2.02Å; C664-C688 PolarHBondContact SG-SG 2.88Å; Y685-C688 VanDerWaalsContact OH-C 3.26Å; Y685-C688 WeakPolarHBondContact OH-CA 3.07Å; Y685-C688 PolarHBondContact OH-N 3.06Å; Y685-C688 VanDerWaalsContact OH-N 3.13Å; C688-G690 PolarHBondContact O-N 2.8Å; C688-G690 VanDerWaalsContact O-N 3.17Å
689	K	72.9	Confident	78.1	Confident	132 Å²	132	60.4 Å²	60.4	57%	0.574	30%	0.299	S	S	*	.	S	Bend	trans	54.4	32.3	172.6	-63.2	-180	167.8	-179.7	0	114.5	G662 Q663	G662-K689 WeakPolarHBondContact CA-O 3.43Å; Q663-K689 HydrophobicContact CB-CD 4.05Å; Q663-K689 HydrophobicContact CG-CD 4.24Å; Q663-K689 VanDerWaalsContact OE1-CD 3.25Å
690	G	77.1	Confident	76.8	Confident	25 Å²	25	64.9 Å²	64.9	26%	0.258	31%	0.313	S	S	.	.			trans	-88.8	163.5	165.3	0	0	0	0	0	109.4	C688	C688-G690 PolarHBondContact O-N 2.8Å; C688-G690 VanDerWaalsContact O-N 3.17Å
691	N	82.3	Confident	75.6	Confident	30 Å²	30	68.7 Å²	68.7	16%	0.16	34%	0.335	C	S	.	.			trans	-88	-172.8	175.2	64.9	6.1	0	0	0	112	E657 L658 E660 N694	E657-N691 WeakPolarHBondContact OE2-CB 2.92Å; L658-N691 PolarHBondContact O-ND2 2.75Å; E660-N691 HydrophobicContact CB-CB 4.18Å; E660-N691 PolarHBondContact N-OD1 2.83Å; N691-N694 WeakPolarHBondContact O-CB 3.4Å
692	R	79.1	Confident	74.2	Confident	73 Å²	73	66 Å²	66	28%	0.275	33%	0.326	S	S	.	.	S	Bend	trans	-81.2	-21.1	-169.5	-61.9	173.4	-69.4	-156.2	3.4	112.2	W475 I654 E657 N694	W475-R692 PolarHBondContact O-NH1 3.1Å; I654-R692 HydrophobicContact CB-CB 4.31Å; I654-R692 HydrophobicContact CG1-CB 4.04Å; I654-R692 HydrophobicContact CG2-CB 3.64Å; I654-R692 VanDerWaalsContact CG2-O 3.29Å; I654-R692 WeakPolarHBondContact CG2-O 3.47Å; E657-R692 IonicContact OE1-CZ 2.72Å; E657-R692 IonicContact OE1-NE 2.66Å; E657-R692 PolarHBondContact OE1-NE 2.95Å; E657-R692 IonicContact OE1-NH2 3.25Å; E657-R692 PolarHBondContact OE1-NH2 3.47Å; E657-R692 PolarHBondContact OE2-N 3.23Å; E657-R692 IonicContact OE2-NE 2.92Å; R692-N694 PolarHBondContact O-N 3.36Å
693	N	85.3	Confident	72.2	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.298	C	S	.	.			trans	-72.2	58.6	172.7	-163.8	5.6	0	0	0	112.2	I654 E657 Y672 F673 F695	I654-N693 WeakPolarHBondContact O-CB 3.32Å; E657-N693 HydrophobicContact CB-CB 4.08Å; E657-N693 PolarHBondContact O-ND2 3.04Å; Y672-N693 WeakPolarHBondContact CA-OD1 3.14Å; Y672-N693 WeakPolarHBondContact CB-O 3.32Å; F673-N693 PolarHBondContact N-OD1 3.35Å; F673-N693 PolarHBondContact O-ND2 2.87Å; N693-F695 VanDerWaalsContact OD1-CE2 3.23Å; N693-F695 WeakPolarHBondContact OD1-CE2 3.15Å
694	N	83.9	Confident	70.3	Confident	25 Å²	25	65.3 Å²	65.3	13%	0.134	33%	0.328	C	S	.	.			trans	-148.1	91.7	-169.2	-177.9	-19.8	0	0	0	110	R670 F683 Y685 N691 R692	R670-N694 VanDerWaalsContact CB-OD1 3.29Å; R670-N694 WeakPolarHBondContact CB-OD1 3.1Å; R670-N694 VanDerWaalsContact CD-OD1 3.25Å; R670-N694 WeakPolarHBondContact CD-OD1 3.38Å; R670-N694 WeakPolarHBondContact CG-OD1 3.24Å; R670-N694 PolarHBondContact NH1-OD1 3.33Å; F683-N694 HydrophobicContact CE1-CB 4.4Å; F683-N694 HydrophobicContact CZ-CB 3.88Å; Y685-N694 WeakPolarHBondContact CD2-ND2 3.21Å; N691-N694 WeakPolarHBondContact O-CB 3.4Å; R692-N694 PolarHBondContact O-N 3.36Å
695	F	79.2	Confident	68.4	Low	16 Å²	16	66.4 Å²	66.4	7%	0.07	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-106.4	143.2	-173.5	-51	-69.5	0	0	0	111.8	M647 I654 R670 Y671 F673 N693 V697 Y702	M647-F695 HydrophobicContact CE-CD1 4.33Å; M647-F695 HydrophobicContact CE-CE1 3.61Å; I654-F695 HydrophobicContact CG2-CE1 4.3Å; I654-F695 HydrophobicContact CG2-CZ 3.98Å; R670-F695 CarbonylContact C-O 3.52Å; R670-F695 WeakPolarHBondContact CA-O 3.24Å; Y671-F695 PolarHBondContact N-O 3.39Å; Y671-F695 WeakPolarHBondContact O-CD2 3.23Å; Y671-F695 PolarHBondContact O-N 3.4Å; F673-F695 HydrophobicContact CB-CE2 4.43Å; N693-F695 VanDerWaalsContact OD1-CE2 3.23Å; N693-F695 WeakPolarHBondContact OD1-CE2 3.15Å; F695-V697 VanDerWaalsContact C-N 3.34Å; F695-Y702 HydrophobicContact CD1-CD2 4.33Å; F695-Y702 HydrophobicContact CD1-CE2 4.49Å; F695-Y702 HydrophobicContact CE1-CD2 4.26Å
696	L	70.5	Confident	66.5	Low	133 Å²	133	68.5 Å²	68.5	70%	0.696	35%	0.35	S	S	*	.	S	Bend	trans	-70.8	-33.3	175	-156.4	97.2	0	0	0	111.9
697	V	70.7	Confident	64.3	Low	85 Å²	85	71.3 Å²	71.3	52%	0.515	37%	0.367	S	S	.	.	S	Bend	trans	-123.1	148	-174.6	-176	0	0	0	0	109.8	F695 S699	F695-V697 VanDerWaalsContact C-N 3.34Å; V697-S699 PolarHBondContact O-N 2.06Å
698	R	66.6	Low	62.2	Low	160 Å²	160	75.4 Å²	75.4	60%	0.604	39%	0.385	S	S	*	.			trans	-69.6	77.9	172.1	-171.3	176.8	150.6	-172.1	-5.5	109.8	Y671 C680 K700	Y671-R698 HydrophobicContact CD1-CB 3.77Å; Y671-R698 HydrophobicContact CD1-CG 4.06Å; Y671-R698 HydrophobicContact CD2-CB 4.32Å; Y671-R698 HydrophobicContact CE1-CB 3.77Å; Y671-R698 HydrophobicContact CE1-CG 4.16Å; Y671-R698 HydrophobicContact CE2-CB 4.32Å; Y671-R698 HydrophobicContact CG-CB 4.06Å; C680-R698 HydrophobicContact CB-CG 3.92Å; R698-K700 PolarHBondContact O-N 3.07Å
699	S	57.1	Low	60	Low	15 Å²	15	82.1 Å²	82.1	11%	0.105	41%	0.413	C	S	.	.			trans	-71	120.5	179.3	178	0	0	0	0	110.2	C680 V697 T701 Y702	C680-S699 PolarHBondContact SG-O 3.14Å; V697-S699 PolarHBondContact O-N 2.06Å; S699-T701 VanDerWaalsContact C-N 3.31Å; S699-T701 PolarHBondContact OG-N 3.06Å; S699-Y702 WeakPolarHBondContact OG-CD2 3.41Å; S699-Y702 WeakPolarHBondContact OG-CE2 3.21Å; S699-Y702 PolarHBondContact OG-N 2.86Å
700	K	50.6	Low	57.9	Low	163 Å²	163	82.3 Å²	82.3	71%	0.709	43%	0.425	S	S	*	.	S	Bend	trans	-77.3	-23.1	164.4	-71.5	-171.9	178	-178.4	0	111.3	R698	R698-K700 PolarHBondContact O-N 3.07Å
701	T	52.6	Low	55.6	Low	101 Å²	101	88 Å²	88	62%	0.62	45%	0.454	S	S	*	.	H	α-helix	trans	-77	-30.8	-170	-13.6	0	0	0	0	113	S699 A703 Y704	S699-T701 VanDerWaalsContact C-N 3.31Å; S699-T701 PolarHBondContact OG-N 3.06Å; T701-A703 VanDerWaalsContact C-N 3.33Å; T701-Y704 PolarHBondContact O-N 3.28Å
702	Y	52.8	Low	53	Low	56 Å²	56	94.2 Å²	94.2	22%	0.22	48%	0.482	C	S	.	.	H	α-helix	trans	-76.7	-21.9	178.5	-55	-51.2	0	0	0	112.9	R648 F695 S699 Y704	R648-Y702 HydrophobicContact CG-CE1 4.34Å; F695-Y702 HydrophobicContact CD1-CD2 4.33Å; F695-Y702 HydrophobicContact CD1-CE2 4.49Å; F695-Y702 HydrophobicContact CE1-CD2 4.26Å; S699-Y702 WeakPolarHBondContact OG-CD2 3.41Å; S699-Y702 WeakPolarHBondContact OG-CE2 3.21Å; S699-Y702 PolarHBondContact OG-N 2.86Å; Y702-Y704 VanDerWaalsContact C-N 3.34Å
703	A	42.8	Very low	50.4	Low	18 Å²	18	98.8 Å²	98.8	15%	0.149	51%	0.507	C	S	.	.	H	α-helix	trans	-71.9	-28.4	174.9	0	0	0	0	0	112.6	F673 T701 S705 L706	F673-A703 HydrophobicContact CD2-CB 3.98Å; F673-A703 HydrophobicContact CE2-CB 3.44Å; F673-A703 VanDerWaalsContact CE2-CB 3.44Å; F673-A703 HydrophobicContact CZ-CB 4.27Å; T701-A703 VanDerWaalsContact C-N 3.33Å; A703-S705 VanDerWaalsContact C-N 3.34Å; A703-S705 PolarHBondContact O-N 3.23Å; A703-L706 PolarHBondContact O-N 2.92Å
704	Y	44.7	Very low	47.8	Very low	176 Å²	176	106.9 Å²	106.9	69%	0.69	55%	0.55	S	S	*	.	H	α-helix	trans	-67.4	-31.3	-173.5	-106.4	-83.7	0	0	0	113.5	T701 Y702 L706 V707	T701-Y704 PolarHBondContact O-N 3.28Å; Y702-Y704 VanDerWaalsContact C-N 3.34Å; Y704-L706 PolarHBondContact O-N 3.26Å; Y704-V707 PolarHBondContact O-N 2.88Å; Y704-V707 VanDerWaalsContact O-N 3.1Å
705	S	46.5	Very low	45.3	Very low	69 Å²	69	113.1 Å²	113.1	48%	0.483	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.5	-22	178.5	-76.9	0	0	0	0	113.5	A703 T708	A703-S705 VanDerWaalsContact C-N 3.34Å; A703-S705 PolarHBondContact O-N 3.23Å; S705-T708 PolarHBondContact O-OG1 2.05Å
706	L	43.9	Very low	43.1	Very low	73 Å²	73	119.1 Å²	119.1	38%	0.382	62%	0.616	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.6	-3.4	177.3	-72.5	171.9	0	0	0	113.9	A652 C655 F673 A703 Y704	A652-L706 HydrophobicContact CB-CD2 3.72Å; C655-L706 HydrophobicContact CB-CD1 3.89Å; F673-L706 HydrophobicContact CD1-CD1 4.26Å; F673-L706 HydrophobicContact CE1-CD1 3.61Å; F673-L706 HydrophobicContact CZ-CD1 4.2Å; A703-L706 PolarHBondContact O-N 2.92Å; Y704-L706 PolarHBondContact O-N 3.26Å
707	V	38	Very low	41.3	Very low	77 Å²	77	120.5 Å²	120.5	47%	0.467	62%	0.624	S	S	.	*			trans	-108.7	10.2	-175.8	-165.7	0	0	0	0	112.6	Y704 E709	Y704-V707 PolarHBondContact O-N 2.88Å; Y704-V707 VanDerWaalsContact O-N 3.1Å; V707-E709 PolarHBondContact O-N 2.78Å
708	T	32.4	Very low	39.4	Very low	121 Å²	121	123.7 Å²	123.7	74%	0.742	64%	0.638	S	S	*	*			trans	-84	55.5	174.8	46.7	0	0	0	0	112.2	S705	S705-T708 PolarHBondContact O-OG1 2.05Å
709	E	30.9	Very low	37.8	Very low	176 Å²	176	120.3 Å²	120.3	82%	0.822	64%	0.644	S	S	*	*	S	Bend	trans	-125.9	126	147.2	-75	-177.9	176.3	0	0	104.5	V707	V707-E709 PolarHBondContact O-N 2.78Å
710	V	29.8	Very low	36.6	Very low	137 Å²	137	127.1 Å²	127.1	83%	0.83	68%	0.678	S	S	*	*	S	Bend	trans	85.7	67.4	-179.4	-155.4	0	0	0	0	116.2
711	V	27.1	Very low	35.7	Very low	143 Å²	143	130.7 Å²	130.7	87%	0.867	69%	0.687	S	S	*	*			trans	-145.3	105.6	130.1	-175.9	0	0	0	0	107.7
712	H	27.6	Very low	34.5	Very low	161 Å²	161	132.5 Å²	132.5	75%	0.745	69%	0.693	S	S	*	*			trans	-58.9	143	163.5	-85.8	-94.6	0	0	0	110.3
713	E	26.1	Very low	33.4	Very low	170 Å²	170	136.4 Å²	136.4	79%	0.794	72%	0.723	S	S	*	*			trans	48.3	88.2	152.1	-64.4	177.5	169	0	0	116
714	D	30.1	Very low	32.7	Very low	169 Å²	169	140.5 Å²	140.5	90%	0.904	75%	0.746	S	S	*	*			trans	-148.8	127.5	134	-98.4	-33.4	0	0	0	111.1	D716	D714-D716 PolarHBondContact O-N 2.85Å
715	N	31.1	Very low	31.9	Very low	157 Å²	157	138.5 Å²	138.5	84%	0.84	75%	0.753	S	S	*	*			trans	-87	84.1	-166.2	-170.2	22.1	0	0	0	109.3
716	D	32.8	Very low	31.1	Very low	141 Å²	141	141.2 Å²	141.2	75%	0.754	77%	0.767	S	S	*	*			trans	-137.1	37.5	176.8	-114.1	-13.2	0	0	0	113.5	D714 N718	D714-D716 PolarHBondContact O-N 2.85Å; D716-N718 PolarHBondContact O-N 2.91Å
717	L	33	Very low	30.6	Very low	163 Å²	163	149.4 Å²	149.4	85%	0.853	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	8.1	176.3	-102.4	159.4	0	0	0	114.9
718	N	31	Very low	30.5	Very low	152 Å²	152	149.6 Å²	149.6	81%	0.813	79%	0.791	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-0.5	-179.7	-88.4	-20.1	0	0	0	115.3	D716	D716-N718 PolarHBondContact O-N 2.91Å
719	A	32	Very low	30.6	Very low	89 Å²	89	151.3 Å²	151.3	74%	0.736	80%	0.796	S	S	*	*	S	Bend	trans	-94.4	2.2	-176.7	0	0	0	0	0	116.4
720	L	33.4	Very low	30.9	Very low	157 Å²	157	145.3 Å²	145.3	82%	0.822	78%	0.78	S	S	*	*			trans	-117.5	10.7	-176.5	-68.6	169.2	0	0	0	115.1	D722	L720-D722 PolarHBondContact O-N 2.86Å
721	R	30.4	Very low	31.7	Very low	238 Å²	238	142.9 Å²	142.9	90%	0.898	77%	0.766	S	S	*	*			trans	-85.9	58.8	174.2	-165.3	175.3	162	170.4	-4.7	111
722	D	28.9	Very low	33.1	Very low	140 Å²	140	140.3 Å²	140.3	75%	0.749	75%	0.752	S	S	*	*			trans	-156.4	60.7	164.9	-139.7	4.5	0	0	0	112.7	L720	L720-D722 PolarHBondContact O-N 2.86Å
723	T	28.8	Very low	34.1	Very low	137 Å²	137	138.6 Å²	138.6	84%	0.84	74%	0.743	S	S	*	*			trans	-135.2	43.9	163.3	40.7	0	0	0	0	110.9
724	T	27.8	Very low	36.3	Very low	104 Å²	104	134.6 Å²	134.6	64%	0.638	73%	0.727	S	S	*	*			trans	-90.1	99.4	165.5	47.1	0	0	0	0	109.9	T726	T724-T726 PolarHBondContact O-N 3.44Å
725	T	28.4	Very low	38.4	Very low	135 Å²	135	127.7 Å²	127.7	83%	0.828	69%	0.692	S	S	*	*			trans	37.7	71.5	137	60.2	0	0	0	0	117.2
726	T	30	Very low	40.7	Very low	126 Å²	126	123.8 Å²	123.8	77%	0.773	67%	0.673	S	S	*	*			trans	-92.1	111.7	160.6	55.4	0	0	0	0	109	T724 D728	T724-T726 PolarHBondContact O-N 3.44Å; T726-D728 PolarHBondContact O-N 2.87Å
727	R	33.7	Very low	42.6	Very low	244 Å²	244	119.1 Å²	119.1	92%	0.921	65%	0.649	S	S	*	*			trans	-53.4	98.3	163.7	-72.8	177.6	-172.2	167.3	2.6	108	N729	R727-N729 PolarHBondContact O-N 2.94Å
728	D	36.3	Very low	44.6	Very low	81 Å²	81	112.7 Å²	112.7	43%	0.433	62%	0.618	S	S	.	*			trans	-77.5	92	-174.8	-172.6	13.2	0	0	0	109.8	T726 G730 N767	T726-D728 PolarHBondContact O-N 2.87Å; D728-G730 PolarHBondContact O-N 3.21Å; D728-N767 PolarHBondContact OD2-ND2 3.33Å
729	N	34.3	Very low	47	Very low	158 Å²	158	108.4 Å²	108.4	85%	0.845	61%	0.61	S	S	*	*			trans	-70.3	76.9	167.3	-90.8	-9.6	0	0	0	109.9	R727 T731	R727-N729 PolarHBondContact O-N 2.94Å; N729-T731 PolarHBondContact O-N 2.88Å
730	G	37	Very low	49.3	Very low	49 Å²	49	108.2 Å²	108.2	51%	0.505	59%	0.59	S	S	.	*				72.6	24.4	126.2	0	0	0	0	0	120.3	D728	D728-G730 PolarHBondContact O-N 3.21Å
731	T	45.8	Very low	50.9	Low	86 Å²	86	103.1 Å²	103.1	53%	0.528	57%	0.568	S	S	.	*			trans	-85	127.4	163.2	55.3	0	0	0	0	110.9	N729 K733 N767	N729-T731 PolarHBondContact O-N 2.88Å; T731-K733 PolarHBondContact O-N 3.28Å; T731-N767 VanDerWaalsContact O-CB 3.31Å; T731-N767 WeakPolarHBondContact O-CB 3.36Å; T731-N767 PolarHBondContact O-ND2 3.22Å
732	P	55.6	Low	53.3	Low	89 Å²	89	99 Å²	99	58%	0.578	56%	0.564	S	S	*	*			trans	-55.5	123.2	175.1	-21.6	30.6	0	0	0	111.3	N767	P732-N767 VanDerWaalsContact CA-O 3.27Å; P732-N767 WeakPolarHBondContact CA-O 3.05Å; P732-N767 WeakPolarHBondContact CB-O 3.04Å; P732-N767 WeakPolarHBondContact CG-O 3.43Å
733	K	50.2	Low	55.9	Low	126 Å²	126	95.9 Å²	95.9	55%	0.548	54%	0.542	S	S	.	.	B	Isolated β-bridge	trans	-117.3	118.7	173.3	-80.1	-173	177	175.9	0	109.3	T731 A765 R766	T731-K733 PolarHBondContact O-N 3.28Å; K733-A765 CarbonylContact O-C 3.56Å; K733-A765 VanDerWaalsContact O-CA 3.3Å; K733-A765 WeakPolarHBondContact O-CA 3.48Å; K733-R766 PolarHBondContact N-O 2.76Å; K733-R766 PolarHBondContact O-N 3.27Å
734	D	72.4	Confident	57.9	Low	86 Å²	86	91.4 Å²	91.4	46%	0.46	52%	0.516	S	S	.	.			trans	-67.5	155.1	177.4	-67	-11.1	0	0	0	111.5	V736 G769 Q770	D734-V736 PolarHBondContact O-N 3.42Å; D734-G769 VanDerWaalsContact OD1-CA 3.24Å; D734-G769 WeakPolarHBondContact OD1-CA 3.1Å; D734-Q770 HydrophobicContact CB-CB 4.32Å; D734-Q770 PolarHBondContact OD1-N 3.14Å
735	C	74.3	Confident	60.4	Low	24 Å²	24	94.8 Å²	94.8	16%	0.162	53%	0.525	C	S	.	.			trans	-58.6	133.6	169	166.2	0	0	0	0	112.1	S763 A765 Q770 C772	C735-S763 CarbonylContact C-O 3.46Å; C735-S763 VanDerWaalsContact CA-O 3.28Å; C735-S763 WeakPolarHBondContact CA-O 3.43Å; C735-A765 HydrophobicContact CB-CB 4.36Å; C735-Q770 VanDerWaalsContact CB-O 3.29Å; C735-Q770 WeakPolarHBondContact CB-O 3.31Å; C735-Q770 PolarHBondContact N-O 2.92Å; C735-Q770 VanDerWaalsContact N-O 3.09Å; C735-C772 HydrophobicContact CB-CB 3.9Å; C735-C772 WeakPolarHBondContact CB-SG 3.14Å; C735-C772 WeakPolarHBondContact SG-CA 3.42Å; C735-C772 WeakPolarHBondContact SG-CB 3.36Å; C735-C772 CovalentContact SG-SG 2Å; C735-C772 PolarHBondContact SG-SG 2.93Å
736	V	78.6	Confident	62.9	Low	75 Å²	75	89.6 Å²	89.6	46%	0.455	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.4	168.2	-176.5	0	0	0	0	108.7	D734 I761 L762 S763	D734-V736 PolarHBondContact O-N 3.42Å; V736-I761 CarbonylContact O-C 3.54Å; V736-L762 HydrophobicContact CG1-CB 4.33Å; V736-L762 HydrophobicContact CG1-CD1 4.31Å; V736-L762 WeakPolarHBondContact O-CA 3.44Å; V736-L762 PolarHBondContact O-N 3.04Å; V736-S763 VanDerWaalsContact CB-OG 3.27Å; V736-S763 WeakPolarHBondContact CB-OG 3.44Å; V736-S763 VanDerWaalsContact CG2-OG 3.31Å; V736-S763 WeakPolarHBondContact CG2-OG 3.43Å; V736-S763 PolarHBondContact N-O 3.48Å; V736-S763 PolarHBondContact N-OG 3.4Å; V736-S763 PolarHBondContact O-N 3.43Å
737	V	73.4	Confident	65.1	Low	42 Å²	42	87.8 Å²	87.8	26%	0.255	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	152.6	174.4	-65.5	0	0	0	0	111.3	T760 I761 P773 L776	V737-T760 CarbonylContact C-O 3.6Å; V737-T760 WeakPolarHBondContact CA-O 3.48Å; V737-T760 WeakPolarHBondContact CB-O 3.35Å; V737-I761 HydrophobicContact CG1-CG1 4.14Å; V737-P773 HydrophobicContact CG1-CG 4.24Å; V737-L776 HydrophobicContact CG1-CD2 4.36Å
738	S	73.9	Confident	66.8	Low	28 Å²	28	80.9 Å²	80.9	20%	0.196	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-69	167.1	172.7	74.4	0	0	0	0	111.2	T760	S738-T760 PolarHBondContact N-O 2.77Å; S738-T760 PolarHBondContact OG-N 3.34Å; S738-T760 PolarHBondContact OG-O 2.04Å; S738-T760 PolarHBondContact OG-OG1 3.48Å; S738-T760 VanDerWaalsContact OG-OG1 3.08Å
739	G	80.9	Confident	68.4	Low	63 Å²	63	82.2 Å²	82.2	65%	0.649	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-59.2	162.3	159.6	0	0	0	0	0	111.6
740	W	80.2	Confident	70.4	Confident	84 Å²	84	75.9 Å²	75.9	32%	0.318	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-66.8	142.3	171.5	-71.2	102.6	0	0	0	110.7	R757 V758 R759 L776 E778	W740-R757 HydrophobicContact CD2-CG 4.27Å; W740-R757 HydrophobicContact CE3-CB 4.39Å; W740-R757 HydrophobicContact CE3-CG 3.78Å; W740-R757 HydrophobicContact CZ3-CG 4.36Å; W740-R757 WeakPolarHBondContact CZ3-O 3.43Å; W740-V758 VanDerWaalsContact CE3-C 3.45Å; W740-R759 HydrophobicContact CD2-CB 4.09Å; W740-R759 HydrophobicContact CD2-CG 4.12Å; W740-R759 HydrophobicContact CE3-CB 3.98Å; W740-R759 HydrophobicContact CE3-CG 3.97Å; W740-R759 HydrophobicContact CH2-CG 3.97Å; W740-R759 HydrophobicContact CZ2-CG 4.1Å; W740-R759 HydrophobicContact CZ3-CB 4.37Å; W740-R759 HydrophobicContact CZ3-CG 3.9Å; W740-L776 WeakPolarHBondContact CZ3-O 3.34Å; W740-E778 HydrophobicContact CE3-CB 4.46Å; W740-E778 HydrophobicContact CH2-CB 3.79Å; W740-E778 HydrophobicContact CZ2-CB 4.35Å; W740-E778 HydrophobicContact CZ3-CB 3.84Å
741	S	68.2	Low	72.3	Confident	51 Å²	51	74.6 Å²	74.6	36%	0.357	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-64.4	167	167.1	75.2	0	0	0	0	111.1	R757 V758	S741-R757 WeakPolarHBondContact O-CB 3.25Å; S741-V758 WeakPolarHBondContact CB-O 3.15Å; S741-V758 PolarHBondContact N-O 3.17Å; S741-V758 PolarHBondContact OG-N 2.81Å; S741-V758 PolarHBondContact OG-O 3.41Å
742	D	81.4	Confident	74	Confident	151 Å²	151	81.1 Å²	81.1	81%	0.807	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-57.5	154.4	160.9	-62.8	-49.2	0	0	0	110.8
743	W	82.7	Confident	75.4	Confident	75 Å²	75	77.2 Å²	77.2	28%	0.284	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-65.3	138	173.1	-72.9	97.8	0	0	0	110.5	K755 E756 R757 E778 A780	W743-K755 HydrophobicContact CB-CD 3.93Å; W743-K755 HydrophobicContact CB-CG 4.48Å; W743-K755 HydrophobicContact CD2-CD 4.05Å; W743-K755 HydrophobicContact CD2-CG 4.12Å; W743-K755 HydrophobicContact CE3-CB 4.13Å; W743-K755 HydrophobicContact CE3-CD 4.09Å; W743-K755 HydrophobicContact CE3-CG 3.64Å; W743-K755 HydrophobicContact CG-CD 4Å; W743-K755 HydrophobicContact CZ3-CG 4.25Å; W743-K755 VanDerWaalsContact CZ3-O 3.25Å; W743-K755 WeakPolarHBondContact CZ3-O 3.45Å; W743-E756 VanDerWaalsContact CE3-C 3.49Å; W743-R757 HydrophobicContact CD2-CB 4.07Å; W743-R757 HydrophobicContact CD2-CG 4.04Å; W743-R757 HydrophobicContact CE3-CB 4.01Å; W743-R757 HydrophobicContact CE3-CG 3.99Å; W743-R757 HydrophobicContact CG-CB 4.48Å; W743-R757 HydrophobicContact CH2-CG 3.87Å; W743-R757 HydrophobicContact CZ2-CG 3.91Å; W743-R757 HydrophobicContact CZ3-CB 4.36Å; W743-R757 HydrophobicContact CZ3-CG 3.91Å; W743-E778 HydrophobicContact CH2-CB 4.31Å; W743-E778 HydrophobicContact CH2-CG 3.93Å; W743-E778 WeakPolarHBondContact CZ3-O 3.42Å; W743-A780 HydrophobicContact CE3-CB 4.28Å; W743-A780 HydrophobicContact CH2-CB 3.34Å; W743-A780 HydrophobicContact CZ2-CB 3.92Å; W743-A780 HydrophobicContact CZ3-CB 3.55Å
744	S	71.2	Confident	77	Confident	43 Å²	43	75 Å²	75	30%	0.301	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-61.3	162	171	77	0	0	0	0	111.7	K755 E756	S744-K755 WeakPolarHBondContact O-CB 3.34Å; S744-E756 WeakPolarHBondContact CB-O 3.44Å; S744-E756 PolarHBondContact N-O 2.04Å; S744-E756 PolarHBondContact OG-N 2.96Å; S744-E756 PolarHBondContact OG-O 3.24Å
745	E	80.5	Confident	77.4	Confident	175 Å²	175	74.1 Å²	74.1	82%	0.818	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-52.3	150.9	160.1	-69.1	-61	155.5	0	0	111.1
746	C	81.1	Confident	77.6	Confident	26 Å²	26	76.1 Å²	76.1	18%	0.176	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-67.5	140.2	178.1	-165.2	0	0	0	0	110	Q748 G753 M754 C782 L784	C746-Q748 PolarHBondContact O-N 3.18Å; C746-G753 VanDerWaalsContact SG-CA 3.57Å; C746-M754 CarbonylContact C-O 3.59Å; C746-M754 WeakPolarHBondContact CA-O 3.43Å; C746-C782 VanDerWaalsContact CA-SG 3.58Å; C746-C782 HydrophobicContact CB-CB 3.94Å; C746-C782 WeakPolarHBondContact CB-SG 3.04Å; C746-C782 WeakPolarHBondContact SG-CB 3.39Å; C746-C782 CovalentContact SG-SG 2.02Å; C746-C782 PolarHBondContact SG-SG 2.97Å; C746-L784 HydrophobicContact CB-CD1 3.84Å; C746-L784 WeakPolarHBondContact SG-CD1 3.41Å
747	T	74.8	Confident	77.7	Confident	87 Å²	87	75.8 Å²	75.8	53%	0.534	40%	0.399	S	S	.	.	S	Bend	trans	-62.6	-12	179	53.1	0	0	0	0	114.2	M754	T747-M754 HydrophobicContact CG2-CB 4.33Å; T747-M754 WeakPolarHBondContact CG2-O 3.29Å; T747-M754 PolarHBondContact N-O 2.9Å; T747-M754 PolarHBondContact OG1-N 3.16Å; T747-M754 PolarHBondContact OG1-O 3.04Å
748	Q	69.5	Low	77.7	Confident	99 Å²	99	76.6 Å²	76.6	46%	0.463	40%	0.404	S	S	.	.			trans	-126.1	156.6	178.9	-61.7	-59.9	-26.2	0	0	109.5	C746 C750 L784	C746-Q748 PolarHBondContact O-N 3.18Å; Q748-C750 WeakPolarHBondContact CB-O 3.47Å; Q748-L784 HydrophobicContact CB-CD1 4.25Å; Q748-L784 WeakPolarHBondContact O-CD1 3.22Å
749	T	71.5	Confident	77.4	Confident	109 Å²	109	78 Å²	78	67%	0.669	41%	0.405	S	S	*	.	S	Bend	trans	-98.7	-7.5	174.1	56.1	0	0	0	0	112.4
750	C	75	Confident	76.5	Confident	26 Å²	26	77.9 Å²	77.9	18%	0.176	39%	0.392	C	S	.	.	S	Bend	trans	-153.5	155.7	177.9	60.6	0	0	0	0	110.5	Q748 R785 C787	Q748-C750 WeakPolarHBondContact CB-O 3.47Å; C750-R785 CarbonylContact C-O 3.39Å; C750-R785 WeakPolarHBondContact CA-O 3.44Å; C750-R785 HydrophobicContact CB-CG 4.29Å; C750-R785 WeakPolarHBondContact CB-O 3.44Å; C750-C787 HydrophobicContact CB-CB 3.89Å; C750-C787 WeakPolarHBondContact CB-SG 3.34Å; C750-C787 PolarHBondContact O-SG 3.07Å; C750-C787 VanDerWaalsContact O-SG 3.33Å; C750-C787 WeakPolarHBondContact SG-CA 3.08Å; C750-C787 WeakPolarHBondContact SG-CB 3.25Å; C750-C787 CovalentContact SG-SG 2.04Å; C750-C787 PolarHBondContact SG-SG 2.86Å
751	G	76.5	Confident	75.7	Confident	21 Å²	21	77.5 Å²	77.5	22%	0.216	40%	0.395	C	S	.	.	S	Bend	trans	73.4	-143.8	178.7	0	0	0	0	0	114	L784 R785	G751-L784 PolarHBondContact O-N 3.04Å; G751-R785 PolarHBondContact N-O 2.74Å
752	R	83.1	Confident	75.5	Confident	224 Å²	224	80.7 Å²	80.7	85%	0.845	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	126	179	-72.4	-175.6	-79.8	-127.4	0.5	109.9
753	G	83.5	Confident	74.8	Confident	7 Å²	7	75.6 Å²	75.6	7%	0.072	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	-172.6	172.4	0	0	0	0	0	112.3	C746 C782	C746-G753 VanDerWaalsContact SG-CA 3.57Å; G753-C782 PolarHBondContact N-O 2.72Å; G753-C782 PolarHBondContact O-N 3.33Å; G753-C782 PolarHBondContact O-SG 3.03Å
754	M	84.6	Confident	73.5	Confident	80 Å²	80	75.5 Å²	75.5	39%	0.394	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	146.5	175.4	-67.2	-68	-168.9	0	0	109.9	C746 T747 A780 R781 C782	C746-M754 CarbonylContact C-O 3.59Å; C746-M754 WeakPolarHBondContact CA-O 3.43Å; T747-M754 HydrophobicContact CG2-CB 4.33Å; T747-M754 WeakPolarHBondContact CG2-O 3.29Å; T747-M754 PolarHBondContact N-O 2.9Å; T747-M754 PolarHBondContact OG1-N 3.16Å; T747-M754 PolarHBondContact OG1-O 3.04Å; M754-A780 CarbonylContact C-O 3.49Å; M754-A780 WeakPolarHBondContact CA-O 3.45Å; M754-R781 HydrophobicContact CE-CG 3.92Å; M754-R781 HydrophobicContact SD-CB 4.36Å; M754-R781 HydrophobicContact SD-CG 3.74Å; M754-C782 VanDerWaalsContact CA-SG 3.58Å; M754-C782 PolarHBondContact N-SG 2.91Å; M754-C782 PolarHBondContact O-SG 3.14Å
755	K	81.6	Confident	72.9	Confident	67 Å²	67	75.4 Å²	75.4	29%	0.291	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	150.4	167.7	57.2	178.2	-166.5	169.3	0	108.5	W743 S744 K779 A780 C782	W743-K755 HydrophobicContact CB-CD 3.93Å; W743-K755 HydrophobicContact CB-CG 4.48Å; W743-K755 HydrophobicContact CD2-CD 4.05Å; W743-K755 HydrophobicContact CD2-CG 4.12Å; W743-K755 HydrophobicContact CE3-CB 4.13Å; W743-K755 HydrophobicContact CE3-CD 4.09Å; W743-K755 HydrophobicContact CE3-CG 3.64Å; W743-K755 HydrophobicContact CG-CD 4Å; W743-K755 HydrophobicContact CZ3-CG 4.25Å; W743-K755 VanDerWaalsContact CZ3-O 3.25Å; W743-K755 WeakPolarHBondContact CZ3-O 3.45Å; S744-K755 WeakPolarHBondContact O-CB 3.34Å; K755-K779 WeakPolarHBondContact O-CA 3.33Å; K755-A780 HydrophobicContact CG-CB 4.21Å; K755-A780 PolarHBondContact N-O 2.02Å; K755-A780 PolarHBondContact O-N 3.4Å; K755-C782 HydrophobicContact CD-CB 4.48Å; K755-C782 HydrophobicContact CG-CB 4.45Å
756	E	78.2	Confident	71.5	Confident	66 Å²	66	74.1 Å²	74.1	31%	0.308	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	141.9	-174.9	-52.9	-171.5	160.9	0	0	110.7	W743 S744 E778 K779	W743-E756 VanDerWaalsContact CE3-C 3.49Å; S744-E756 WeakPolarHBondContact CB-O 3.44Å; S744-E756 PolarHBondContact N-O 2.04Å; S744-E756 PolarHBondContact OG-N 2.96Å; S744-E756 PolarHBondContact OG-O 3.24Å; E756-E778 CarbonylContact C-O 3.57Å; E756-E778 VanDerWaalsContact CA-O 3.22Å; E756-E778 WeakPolarHBondContact CA-O 3.12Å; E756-K779 HydrophobicContact CG-CB 4.37Å; E756-K779 HydrophobicContact CG-CD 4.34Å; E756-K779 HydrophobicContact CG-CG 3.92Å; E756-K779 WeakPolarHBondContact OE1-CD 3.06Å; E756-K779 WeakPolarHBondContact OE1-CE 3.04Å; E756-K779 IonicContact OE1-NZ 2.87Å; E756-K779 PolarHBondContact OE1-NZ 2.94Å
757	R	80.7	Confident	69.9	Low	67 Å²	67	76 Å²	76	25%	0.253	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	152	168.2	63	178.2	-177	-175	-5.8	109.7	W740 S741 W743 E778	W740-R757 HydrophobicContact CD2-CG 4.27Å; W740-R757 HydrophobicContact CE3-CB 4.39Å; W740-R757 HydrophobicContact CE3-CG 3.78Å; W740-R757 HydrophobicContact CZ3-CG 4.36Å; W740-R757 WeakPolarHBondContact CZ3-O 3.43Å; S741-R757 WeakPolarHBondContact O-CB 3.25Å; W743-R757 HydrophobicContact CD2-CB 4.07Å; W743-R757 HydrophobicContact CD2-CG 4.04Å; W743-R757 HydrophobicContact CE3-CB 4.01Å; W743-R757 HydrophobicContact CE3-CG 3.99Å; W743-R757 HydrophobicContact CG-CB 4.48Å; W743-R757 HydrophobicContact CH2-CG 3.87Å; W743-R757 HydrophobicContact CZ2-CG 3.91Å; W743-R757 HydrophobicContact CZ3-CB 4.36Å; W743-R757 HydrophobicContact CZ3-CG 3.91Å; R757-E778 HydrophobicContact CG-CB 3.94Å; R757-E778 IonicContact CZ-OE1 3.35Å; R757-E778 IonicContact CZ-OE2 2.73Å; R757-E778 PolarHBondContact N-O 3.01Å; R757-E778 IonicContact NE-OE1 3.06Å; R757-E778 IonicContact NE-OE2 3.19Å; R757-E778 PolarHBondContact NE-OE2 2.83Å; R757-E778 VanDerWaalsContact NH2-CD 3.29Å; R757-E778 IonicContact NH2-OE1 2.68Å; R757-E778 PolarHBondContact NH2-OE1 2.92Å; R757-E778 VanDerWaalsContact NH2-OE1 3.14Å; R757-E778 IonicContact NH2-OE2 3.98Å; R757-E778 PolarHBondContact NH2-OE2 2.7Å; R757-E778 PolarHBondContact O-N 3.43Å
758	V	72.7	Confident	68.6	Low	60 Å²	60	75.6 Å²	75.6	36%	0.364	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	148.3	-174.7	-59	0	0	0	0	111.7	W740 S741 L776 V777	W740-V758 VanDerWaalsContact CE3-C 3.45Å; S741-V758 WeakPolarHBondContact CB-O 3.15Å; S741-V758 PolarHBondContact N-O 3.17Å; S741-V758 PolarHBondContact OG-N 2.81Å; S741-V758 PolarHBondContact OG-O 3.41Å; V758-L776 CarbonylContact C-O 3.55Å; V758-L776 VanDerWaalsContact CA-O 3.27Å; V758-L776 WeakPolarHBondContact CA-O 2.91Å; V758-V777 HydrophobicContact CG1-CB 4.32Å; V758-V777 HydrophobicContact CG1-CG1 4.1Å; V758-V777 HydrophobicContact CG1-CG2 3.88Å
759	R	68.7	Low	68.2	Low	56 Å²	56	71.5 Å²	71.5	21%	0.211	39%	0.388	C	S	.	.			trans	-121.4	156	168.1	60.3	178.4	175.4	-178.1	-4.1	109.4	W740 E775 L776	W740-R759 HydrophobicContact CD2-CB 4.09Å; W740-R759 HydrophobicContact CD2-CG 4.12Å; W740-R759 HydrophobicContact CE3-CB 3.98Å; W740-R759 HydrophobicContact CE3-CG 3.97Å; W740-R759 HydrophobicContact CH2-CG 3.97Å; W740-R759 HydrophobicContact CZ2-CG 4.1Å; W740-R759 HydrophobicContact CZ3-CB 4.37Å; W740-R759 HydrophobicContact CZ3-CG 3.9Å; R759-E775 PolarHBondContact NE-O 3.36Å; R759-E775 VanDerWaalsContact NE-O 3.12Å; R759-E775 PolarHBondContact NH2-O 2.83Å; R759-L776 HydrophobicContact CG-CD2 3.97Å; R759-L776 PolarHBondContact N-O 3.47Å
760	T	61.4	Low	68	Low	62 Å²	62	72.9 Å²	72.9	38%	0.38	39%	0.387	S	S	.	.			trans	-119.9	158.8	-175.2	56.4	0	0	0	0	111.1	V737 S738	V737-T760 CarbonylContact C-O 3.6Å; V737-T760 WeakPolarHBondContact CA-O 3.48Å; V737-T760 WeakPolarHBondContact CB-O 3.35Å; S738-T760 PolarHBondContact N-O 2.77Å; S738-T760 PolarHBondContact OG-N 3.34Å; S738-T760 PolarHBondContact OG-O 2.04Å; S738-T760 PolarHBondContact OG-OG1 3.48Å; S738-T760 VanDerWaalsContact OG-OG1 3.08Å
761	I	63.8	Low	67.3	Low	75 Å²	75	77 Å²	77	39%	0.385	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	115.1	174.5	-60.7	166.1	0	0	0	107.6	V736 V737 S763 C772 L776	V736-I761 CarbonylContact O-C 3.54Å; V737-I761 HydrophobicContact CG1-CG1 4.14Å; I761-S763 WeakPolarHBondContact CG2-O 3.02Å; I761-C772 HydrophobicContact CD1-CB 3.71Å; I761-C772 VanDerWaalsContact CD1-SG 3.5Å; I761-C772 HydrophobicContact CG1-CB 3.94Å; I761-C772 VanDerWaalsContact CG1-SG 3.55Å; I761-C772 WeakPolarHBondContact CG2-SG 3.42Å; I761-L776 HydrophobicContact CD1-CD1 4.07Å; I761-L776 HydrophobicContact CG1-CD1 4.19Å; I761-L776 HydrophobicContact CG1-CD2 4.33Å
762	L	63.9	Low	67.2	Low	119 Å²	119	77.3 Å²	77.3	62%	0.623	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	-38.8	176.2	-66.2	176.3	0	0	0	111.5	V736	V736-L762 HydrophobicContact CG1-CB 4.33Å; V736-L762 HydrophobicContact CG1-CD1 4.31Å; V736-L762 WeakPolarHBondContact O-CA 3.44Å; V736-L762 PolarHBondContact O-N 3.04Å
763	S	65.2	Low	67	Low	44 Å²	44	69.3 Å²	69.3	31%	0.308	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	128	170	65.6	0	0	0	0	110.4	C735 V736 I761	C735-S763 CarbonylContact C-O 3.46Å; C735-S763 VanDerWaalsContact CA-O 3.28Å; C735-S763 WeakPolarHBondContact CA-O 3.43Å; V736-S763 VanDerWaalsContact CB-OG 3.27Å; V736-S763 WeakPolarHBondContact CB-OG 3.44Å; V736-S763 VanDerWaalsContact CG2-OG 3.31Å; V736-S763 WeakPolarHBondContact CG2-OG 3.43Å; V736-S763 PolarHBondContact N-O 3.48Å; V736-S763 PolarHBondContact N-OG 3.4Å; V736-S763 PolarHBondContact O-N 3.43Å; I761-S763 WeakPolarHBondContact CG2-O 3.02Å
764	P	56.6	Low	66.4	Low	73 Å²	73	75.8 Å²	75.8	47%	0.474	43%	0.427	S	S	.	.			trans	-71.5	157	173.6	30.2	-33.7	0	0	0	110.8
765	A	59.2	Low	66	Low	40 Å²	40	79.2 Å²	79.2	33%	0.331	44%	0.442	S	S	.	.			trans	-62.2	135.2	173.7	0	0	0	0	0	110.9	K733 C735 Q770	K733-A765 CarbonylContact O-C 3.56Å; K733-A765 VanDerWaalsContact O-CA 3.3Å; K733-A765 WeakPolarHBondContact O-CA 3.48Å; C735-A765 HydrophobicContact CB-CB 4.36Å; A765-Q770 VanDerWaalsContact CB-O 3.24Å; A765-Q770 WeakPolarHBondContact CB-O 3.33Å
766	R	49.1	Very low	65.8	Low	148 Å²	148	78.3 Å²	78.3	56%	0.558	44%	0.44	S	S	*	.	B	Isolated β-bridge	trans	-130.9	155.2	176.5	-63.2	-172.7	-176.4	-156.6	0.6	110.4	K733 G768 G769	K733-R766 PolarHBondContact N-O 2.76Å; K733-R766 PolarHBondContact O-N 3.27Å; R766-G768 PolarHBondContact O-N 3.47Å; R766-G768 VanDerWaalsContact O-N 3.15Å; R766-G769 PolarHBondContact O-N 3.3Å
767	N	47.9	Very low	65.7	Low	66 Å²	66	78.5 Å²	78.5	35%	0.353	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	35.7	173.1	-52.7	-29.1	0	0	0	113.9	D728 T731 P732	D728-N767 PolarHBondContact OD2-ND2 3.33Å; T731-N767 VanDerWaalsContact O-CB 3.31Å; T731-N767 WeakPolarHBondContact O-CB 3.36Å; T731-N767 PolarHBondContact O-ND2 3.22Å; P732-N767 VanDerWaalsContact CA-O 3.27Å; P732-N767 WeakPolarHBondContact CA-O 3.05Å; P732-N767 WeakPolarHBondContact CB-O 3.04Å; P732-N767 WeakPolarHBondContact CG-O 3.43Å
768	G	47.7	Very low	65.9	Low	78 Å²	78	78.6 Å²	78.6	80%	0.804	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	12.7	180	0	0	0	0	0	115.9	R766	R766-G768 PolarHBondContact O-N 3.47Å; R766-G768 VanDerWaalsContact O-N 3.15Å
769	G	62.2	Low	66.5	Low	13 Å²	13	82.2 Å²	82.2	13%	0.134	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-66.1	166.2	172.1	0	0	0	0	0	113.9	D734 R766	D734-G769 VanDerWaalsContact OD1-CA 3.24Å; D734-G769 WeakPolarHBondContact OD1-CA 3.1Å; R766-G769 PolarHBondContact O-N 3.3Å
770	Q	66.2	Low	67.3	Low	139 Å²	139	80.9 Å²	80.9	65%	0.65	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-62.3	132.3	-178.2	-71.2	-152.2	-6.8	0	0	112.5	D734 C735 A765	D734-Q770 HydrophobicContact CB-CB 4.32Å; D734-Q770 PolarHBondContact OD1-N 3.14Å; C735-Q770 VanDerWaalsContact CB-O 3.29Å; C735-Q770 WeakPolarHBondContact CB-O 3.31Å; C735-Q770 PolarHBondContact N-O 2.92Å; C735-Q770 VanDerWaalsContact N-O 3.09Å; A765-Q770 VanDerWaalsContact CB-O 3.24Å; A765-Q770 WeakPolarHBondContact CB-O 3.33Å
771	P	61.4	Low	68.7	Low	112 Å²	112	88.2 Å²	88.2	73%	0.727	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-66.5	152.6	177.7	29	-34.5	0	0	0	111.3
772	C	73.1	Confident	69.8	Low	27 Å²	27	85.5 Å²	85.5	18%	0.182	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-64.9	148.2	176.7	-59	0	0	0	0	112.1	C735 I761 V774	C735-C772 HydrophobicContact CB-CB 3.9Å; C735-C772 WeakPolarHBondContact CB-SG 3.14Å; C735-C772 WeakPolarHBondContact SG-CA 3.42Å; C735-C772 WeakPolarHBondContact SG-CB 3.36Å; C735-C772 CovalentContact SG-SG 2Å; C735-C772 PolarHBondContact SG-SG 2.93Å; I761-C772 HydrophobicContact CD1-CB 3.71Å; I761-C772 VanDerWaalsContact CD1-SG 3.5Å; I761-C772 HydrophobicContact CG1-CB 3.94Å; I761-C772 VanDerWaalsContact CG1-SG 3.55Å; I761-C772 WeakPolarHBondContact CG2-SG 3.42Å; C772-V774 PolarHBondContact O-N 2.76Å
773	P	79.1	Confident	70.6	Confident	56 Å²	56	90.9 Å²	90.9	36%	0.364	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-58.3	132.4	171.1	22.6	-31	0	0	0	110.5	V737 E775	V737-P773 HydrophobicContact CG1-CG 4.24Å; P773-E775 VanDerWaalsContact C-N 3.25Å; P773-E775 PolarHBondContact O-N 2.81Å
774	V	72	Confident	71.2	Confident	144 Å²	144	92 Å²	92	87%	0.873	48%	0.483	S	S	*	.	S	Bend	trans	-65.2	-33.1	-178.5	-176.2	0	0	0	0	111.2	C772 L776	C772-V774 PolarHBondContact O-N 2.76Å; V774-L776 PolarHBondContact O-N 3.38Å; V774-L776 VanDerWaalsContact O-N 3.08Å
775	E	76.4	Confident	72.1	Confident	151 Å²	151	97.6 Å²	97.6	71%	0.706	50%	0.495	S	S	*	.			trans	-80	91.7	178.5	-64.7	-172.4	168.8	0	0	111.3	R759 P773	R759-E775 PolarHBondContact NE-O 3.36Å; R759-E775 VanDerWaalsContact NE-O 3.12Å; R759-E775 PolarHBondContact NH2-O 2.83Å; P773-E775 VanDerWaalsContact C-N 3.25Å; P773-E775 PolarHBondContact O-N 2.81Å
776	L	77.4	Confident	72.4	Confident	48 Å²	48	101.4 Å²	101.4	25%	0.251	52%	0.516	S	S	.	.			trans	-98.5	-3.4	173.7	-62.2	178.6	0	0	0	113	V737 W740 V758 R759 I761 V774	V737-L776 HydrophobicContact CG1-CD2 4.36Å; W740-L776 WeakPolarHBondContact CZ3-O 3.34Å; V758-L776 CarbonylContact C-O 3.55Å; V758-L776 VanDerWaalsContact CA-O 3.27Å; V758-L776 WeakPolarHBondContact CA-O 2.91Å; R759-L776 HydrophobicContact CG-CD2 3.97Å; R759-L776 PolarHBondContact N-O 3.47Å; I761-L776 HydrophobicContact CD1-CD1 4.07Å; I761-L776 HydrophobicContact CG1-CD1 4.19Å; I761-L776 HydrophobicContact CG1-CD2 4.33Å; V774-L776 PolarHBondContact O-N 3.38Å; V774-L776 VanDerWaalsContact O-N 3.08Å
777	V	75.2	Confident	72.7	Confident	70 Å²	70	97.4 Å²	97.4	42%	0.424	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	130	-178.2	-176.1	0	0	0	0	109.2	V758 K779	V758-V777 HydrophobicContact CG1-CB 4.32Å; V758-V777 HydrophobicContact CG1-CG1 4.1Å; V758-V777 HydrophobicContact CG1-CG2 3.88Å; V777-K779 HydrophobicContact CG1-CG 4.48Å
778	E	84.2	Confident	73.3	Confident	69 Å²	69	99.7 Å²	99.7	32%	0.322	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	136.1	174.7	-168.7	-173.8	152.4	0	0	109.7	W740 W743 E756 R757	W740-E778 HydrophobicContact CE3-CB 4.46Å; W740-E778 HydrophobicContact CH2-CB 3.79Å; W740-E778 HydrophobicContact CZ2-CB 4.35Å; W740-E778 HydrophobicContact CZ3-CB 3.84Å; W743-E778 HydrophobicContact CH2-CB 4.31Å; W743-E778 HydrophobicContact CH2-CG 3.93Å; W743-E778 WeakPolarHBondContact CZ3-O 3.42Å; E756-E778 CarbonylContact C-O 3.57Å; E756-E778 VanDerWaalsContact CA-O 3.22Å; E756-E778 WeakPolarHBondContact CA-O 3.12Å; R757-E778 HydrophobicContact CG-CB 3.94Å; R757-E778 IonicContact CZ-OE1 3.35Å; R757-E778 IonicContact CZ-OE2 2.73Å; R757-E778 PolarHBondContact N-O 3.01Å; R757-E778 IonicContact NE-OE1 3.06Å; R757-E778 IonicContact NE-OE2 3.19Å; R757-E778 PolarHBondContact NE-OE2 2.83Å; R757-E778 VanDerWaalsContact NH2-CD 3.29Å; R757-E778 IonicContact NH2-OE1 2.68Å; R757-E778 PolarHBondContact NH2-OE1 2.92Å; R757-E778 VanDerWaalsContact NH2-OE1 3.14Å; R757-E778 IonicContact NH2-OE2 3.98Å; R757-E778 PolarHBondContact NH2-OE2 2.7Å; R757-E778 PolarHBondContact O-N 3.43Å
779	K	85.4	Confident	73.4	Confident	137 Å²	137	100 Å²	100	60%	0.596	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	132.6	-178.3	-50.6	-168.7	-178	-143.7	0	110.3	K755 E756 V777	K755-K779 WeakPolarHBondContact O-CA 3.33Å; E756-K779 HydrophobicContact CG-CB 4.37Å; E756-K779 HydrophobicContact CG-CD 4.34Å; E756-K779 HydrophobicContact CG-CG 3.92Å; E756-K779 WeakPolarHBondContact OE1-CD 3.06Å; E756-K779 WeakPolarHBondContact OE1-CE 3.04Å; E756-K779 IonicContact OE1-NZ 2.87Å; E756-K779 PolarHBondContact OE1-NZ 2.94Å; V777-K779 HydrophobicContact CG1-CG 4.48Å
780	A	87.2	Confident	73	Confident	28 Å²	28	104.9 Å²	104.9	23%	0.231	54%	0.544	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	149.4	175.7	0	0	0	0	0	111.5	W743 M754 K755	W743-A780 HydrophobicContact CE3-CB 4.28Å; W743-A780 HydrophobicContact CH2-CB 3.34Å; W743-A780 HydrophobicContact CZ2-CB 3.92Å; W743-A780 HydrophobicContact CZ3-CB 3.55Å; M754-A780 CarbonylContact C-O 3.49Å; M754-A780 WeakPolarHBondContact CA-O 3.45Å; K755-A780 HydrophobicContact CG-CB 4.21Å; K755-A780 PolarHBondContact N-O 2.02Å; K755-A780 PolarHBondContact O-N 3.4Å
781	R	90.3	Very high	72.5	Confident	215 Å²	215	100.7 Å²	100.7	81%	0.811	53%	0.53	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	138	175.8	-64.5	174.9	-176.6	140.4	-1	110.2	M754	M754-R781 HydrophobicContact CE-CG 3.92Å; M754-R781 HydrophobicContact SD-CB 4.36Å; M754-R781 HydrophobicContact SD-CG 3.74Å
782	C	86	Confident	72.5	Confident	18 Å²	18	104.7 Å²	104.7	12%	0.122	53%	0.53	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	142.3	168.5	35.5	0	0	0	0	110.5	C746 G753 M754 K755	C746-C782 VanDerWaalsContact CA-SG 3.58Å; C746-C782 HydrophobicContact CB-CB 3.94Å; C746-C782 WeakPolarHBondContact CB-SG 3.04Å; C746-C782 WeakPolarHBondContact SG-CB 3.39Å; C746-C782 CovalentContact SG-SG 2.02Å; C746-C782 PolarHBondContact SG-SG 2.97Å; G753-C782 PolarHBondContact N-O 2.72Å; G753-C782 PolarHBondContact O-N 3.33Å; G753-C782 PolarHBondContact O-SG 3.03Å; M754-C782 VanDerWaalsContact CA-SG 3.58Å; M754-C782 PolarHBondContact N-SG 2.91Å; M754-C782 PolarHBondContact O-SG 3.14Å; K755-C782 HydrophobicContact CD-CB 4.48Å; K755-C782 HydrophobicContact CG-CB 4.45Å
783	R	80.8	Confident	72.3	Confident	233 Å²	233	106.8 Å²	106.8	88%	0.879	54%	0.539	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	119.8	177.5	-64.1	179.3	-174.9	165.4	1	108.3
784	L	78.3	Confident	72.1	Confident	66 Å²	66	104.8 Å²	104.8	35%	0.346	53%	0.528	S	S	.	.			trans	-114.6	171.9	178.9	-67.4	140.8	0	0	0	110.2	C746 Q748 G751	C746-L784 HydrophobicContact CB-CD1 3.84Å; C746-L784 WeakPolarHBondContact SG-CD1 3.41Å; Q748-L784 HydrophobicContact CB-CD1 4.25Å; Q748-L784 WeakPolarHBondContact O-CD1 3.22Å; G751-L784 PolarHBondContact O-N 3.04Å
785	R	76.5	Confident	72.6	Confident	192 Å²	192	103.1 Å²	103.1	73%	0.725	52%	0.523	S	S	*	.	S	Bend	trans	-47.7	139.2	171.5	61	-177.7	177	169.6	-1.7	111.6	C750 G751	C750-R785 CarbonylContact C-O 3.39Å; C750-R785 WeakPolarHBondContact CA-O 3.44Å; C750-R785 HydrophobicContact CB-CG 4.29Å; C750-R785 WeakPolarHBondContact CB-O 3.44Å; G751-R785 PolarHBondContact N-O 2.74Å
786	P	63.7	Low	72.9	Confident	120 Å²	120	99.5 Å²	99.5	78%	0.779	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-57.8	142.6	179.1	20.2	-30	0	0	0	112.2	S788	P786-S788 PolarHBondContact O-N 2.75Å
787	C	56.2	Low	73.3	Confident	63 Å²	63	100 Å²	100	43%	0.426	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-73.3	125.4	180	-62.7	0	0	0	0	111	C750	C750-C787 HydrophobicContact CB-CB 3.89Å; C750-C787 WeakPolarHBondContact CB-SG 3.34Å; C750-C787 PolarHBondContact O-SG 3.07Å; C750-C787 VanDerWaalsContact O-SG 3.33Å; C750-C787 WeakPolarHBondContact SG-CA 3.08Å; C750-C787 WeakPolarHBondContact SG-CB 3.25Å; C750-C787 CovalentContact SG-SG 2.04Å; C750-C787 PolarHBondContact SG-SG 2.86Å
788	S	60.7	Low	73.9	Confident	115 Å²	115	102 Å²	102	80%	0.804	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-72.9	122.8	167.3	169.4	0	0	0	0	109.5	P786	P786-S788 PolarHBondContact O-N 2.75Å
789	V	49.2	Very low	74.1	Confident	83 Å²	83	101.7 Å²	101.7	50%	0.503	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-101.8	119.3	-177.3	-178.5	0	0	0	0	109.4
790	V	53.8	Low	74.3	Confident	116 Å²	116	97.5 Å²	97.5	70%	0.703	51%	0.512	S	S	*	.			trans	-110	121.4	173.5	-179.7	0	0	0	0	109.1	R792	V790-R792 PolarHBondContact O-N 3.49Å
791	C	56	Low	74.2	Confident	52 Å²	52	100.2 Å²	100.2	35%	0.351	53%	0.534	S	S	.	.			trans	-66.3	115.3	178.4	168	0	0	0	0	110	C826	C791-C826 HydrophobicContact CB-CB 4.09Å; C791-C826 WeakPolarHBondContact CB-SG 3.27Å; C791-C826 WeakPolarHBondContact SG-CB 3.28Å; C791-C826 CovalentContact SG-SG 2.06Å; C791-C826 PolarHBondContact SG-SG 2.91Å
792	R	62	Low	74.1	Confident	196 Å²	196	91 Å²	91	74%	0.74	50%	0.502	S	S	*	.			trans	-105.9	112.4	177.3	-65	177.9	100.4	167.9	5.8	109.8	V790 K818	V790-R792 PolarHBondContact O-N 3.49Å; R792-K818 PolarHBondContact O-N 3.08Å; R792-K818 VanDerWaalsContact O-N 3.13Å
793	I	68.3	Low	74.2	Confident	70 Å²	70	94.6 Å²	94.6	36%	0.359	53%	0.528	S	S	.	.	B	Isolated β-bridge	trans	-86.1	141.4	179.1	-59.7	166.3	0	0	0	109.6	R815	I793-R815 HydrophobicContact CG2-CG 3.95Å
794	G	74.9	Confident	74.3	Confident	14 Å²	14	84.6 Å²	84.6	14%	0.144	50%	0.495	C	S	.	.	P	Polyproline II helix	trans	-73.1	172.2	176.6	0	0	0	0	0	114.1	V816	G794-V816 WeakPolarHBondContact CA-O 3.36Å; G794-V816 PolarHBondContact N-O 2.9Å
795	S	82	Confident	74.4	Confident	110 Å²	110	87.1 Å²	87.1	77%	0.769	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-68.7	153.6	176.1	-48.9	0	0	0	0	111.6	R815	S795-R815 WeakPolarHBondContact O-CB 3.18Å
796	W	83.1	Confident	74.8	Confident	75 Å²	75	80.5 Å²	80.5	28%	0.284	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-68.2	143.8	171.7	-72.1	107.8	0	0	0	112.3	R813 Q814 R815 Q830 E832	W796-R813 HydrophobicContact CD2-CG 4.26Å; W796-R813 HydrophobicContact CE3-CB 4.3Å; W796-R813 HydrophobicContact CE3-CG 3.65Å; W796-R813 HydrophobicContact CZ3-CG 4.03Å; W796-R813 WeakPolarHBondContact CZ3-O 3.41Å; W796-Q814 VanDerWaalsContact CE3-C 3.45Å; W796-R815 HydrophobicContact CD2-CB 4.05Å; W796-R815 HydrophobicContact CD2-CG 3.87Å; W796-R815 HydrophobicContact CE3-CB 3.91Å; W796-R815 HydrophobicContact CE3-CG 3.8Å; W796-R815 HydrophobicContact CG-CB 4.42Å; W796-R815 HydrophobicContact CH2-CG 4.02Å; W796-R815 HydrophobicContact CZ2-CG 4.09Å; W796-R815 VanDerWaalsContact CZ2-NE 3.28Å; W796-R815 HydrophobicContact CZ3-CB 4.38Å; W796-R815 HydrophobicContact CZ3-CG 3.88Å; W796-R815 VanDerWaalsContact NE1-NH1 3.17Å; W796-Q830 HydrophobicContact CH2-CB 4.04Å; W796-Q830 WeakPolarHBondContact CZ3-O 3.33Å; W796-E832 HydrophobicContact CH2-CB 3.78Å; W796-E832 HydrophobicContact CZ2-CB 4.46Å; W796-E832 HydrophobicContact CZ3-CB 3.98Å
797	S	85.9	Confident	75.7	Confident	59 Å²	59	75.7 Å²	75.7	41%	0.413	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-66.2	163.5	164.7	74.1	0	0	0	0	111.1	Q814	S797-Q814 WeakPolarHBondContact CB-O 3.22Å; S797-Q814 PolarHBondContact N-O 3.36Å; S797-Q814 PolarHBondContact OG-N 2.77Å; S797-Q814 PolarHBondContact OG-O 2.98Å
798	S	88	Confident	77.1	Confident	110 Å²	110	78 Å²	78	77%	0.769	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-57.5	152.4	162.1	-52.5	0	0	0	0	110.6
799	W	88.5	Confident	78.4	Confident	64 Å²	64	72.7 Å²	72.7	24%	0.242	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-66.5	141.4	172.6	-71.5	102.9	0	0	0	110.7	Q811 R813 E832 R834	W799-Q811 HydrophobicContact CB-CB 4.41Å; W799-Q811 HydrophobicContact CD2-CB 4.49Å; W799-Q811 HydrophobicContact CE3-CB 3.81Å; W799-Q811 WeakPolarHBondContact CZ3-O 3.37Å; W799-R813 HydrophobicContact CD2-CB 4.03Å; W799-R813 HydrophobicContact CD2-CG 4.03Å; W799-R813 HydrophobicContact CE3-CB 3.9Å; W799-R813 HydrophobicContact CE3-CG 3.9Å; W799-R813 HydrophobicContact CH2-CG 3.77Å; W799-R813 HydrophobicContact CZ2-CG 3.89Å; W799-R813 HydrophobicContact CZ3-CB 4.23Å; W799-R813 HydrophobicContact CZ3-CG 3.77Å; W799-E832 HydrophobicContact CH2-CB 4.35Å; W799-E832 HydrophobicContact CH2-CG 4.03Å; W799-E832 WeakPolarHBondContact CZ3-O 3.29Å; W799-R834 HydrophobicContact CE3-CG 4.26Å; W799-R834 HydrophobicContact CH2-CB 3.94Å; W799-R834 HydrophobicContact CH2-CG 3.94Å; W799-R834 HydrophobicContact CZ2-CG 4.3Å; W799-R834 HydrophobicContact CZ3-CB 4.18Å; W799-R834 HydrophobicContact CZ3-CG 3.92Å
800	S	88.1	Confident	80.5	Confident	49 Å²	49	71.3 Å²	71.3	34%	0.343	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-63.7	164	171.2	71.3	0	0	0	0	111.9	Q811 I812	S800-Q811 WeakPolarHBondContact O-CG 3.36Å; S800-Q811 PolarHBondContact O-NE2 2.84Å; S800-I812 PolarHBondContact N-O 3.33Å; S800-I812 PolarHBondContact OG-N 2.94Å
801	A	86.9	Confident	82.2	Confident	85 Å²	85	67.3 Å²	67.3	70%	0.702	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-54.8	154	162.7	0	0	0	0	0	110.9	S803	A801-S803 PolarHBondContact O-N 3.46Å
802	C	86.9	Confident	83.9	Confident	22 Å²	22	67.7 Å²	67.7	15%	0.149	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-61.7	133.9	175	-165.9	0	0	0	0	109.3	A804 Q811 C836 E838	C802-A804 PolarHBondContact O-N 2.89Å; C802-Q811 HydrophobicContact CB-CG 4.5Å; C802-C836 WeakPolarHBondContact CA-SG 3.33Å; C802-C836 HydrophobicContact CB-CB 3.98Å; C802-C836 WeakPolarHBondContact CB-SG 3.35Å; C802-C836 WeakPolarHBondContact SG-CB 3.33Å; C802-C836 CovalentContact SG-SG 2.04Å; C802-C836 PolarHBondContact SG-SG 2.73Å; C802-E838 HydrophobicContact CB-CG 4.11Å
803	S	89.3	Confident	85.2	Confident	93 Å²	93	61.2 Å²	61.2	65%	0.65	39%	0.388	S	S	*	.	S	Bend	trans	-67.8	-18.8	-178.6	67.3	0	0	0	0	113.8	A801 V810	A801-S803 PolarHBondContact O-N 3.46Å; S803-V810 WeakPolarHBondContact CB-O 3.08Å; S803-V810 PolarHBondContact N-O 2.92Å; S803-V810 PolarHBondContact OG-N 2.8Å
804	A	82.7	Confident	86.2	Confident	23 Å²	23	62 Å²	62	19%	0.19	39%	0.39	C	S	.	.			trans	-108.4	135.9	177.8	0	0	0	0	0	108.9	C802 C806	C802-A804 PolarHBondContact O-N 2.89Å; A804-C806 VanDerWaalsContact C-N 3.29Å
805	S	80.3	Confident	86.5	Confident	118 Å²	118	64.7 Å²	64.7	83%	0.825	40%	0.395	S	S	*	.	S	Bend	trans	-78.2	-16.8	174	49.9	0	0	0	0	112.9
806	C	83.9	Confident	86.2	Confident	53 Å²	53	63.4 Å²	63.4	36%	0.358	38%	0.383	S	S	.	.	S	Bend	trans	-152.2	152	170.5	68.4	0	0	0	0	110.9	A804 N840 C841	A804-C806 VanDerWaalsContact C-N 3.29Å; C806-N840 VanDerWaalsContact CB-O 3.24Å; C806-N840 WeakPolarHBondContact CB-O 3.24Å; C806-C841 HydrophobicContact CB-CB 4.12Å; C806-C841 VanDerWaalsContact CB-SG 3.54Å
807	G	82.7	Confident	85.5	Confident	19 Å²	19	60.1 Å²	60.1	20%	0.196	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	75.3	-152.1	-179.3	0	0	0	0	0	113	I837 E838 C841	G807-I837 WeakPolarHBondContact O-CA 3.3Å; G807-E838 PolarHBondContact N-O 2.73Å; G807-E838 PolarHBondContact O-N 3.09Å; G807-C841 PolarHBondContact N-SG 2.71Å
808	T	85.3	Confident	84.5	Confident	111 Å²	111	64.6 Å²	64.6	68%	0.681	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	122.5	-178.9	42.8	0	0	0	0	112.2	C836 I837	T808-C836 CarbonylContact C-O 3.59Å; T808-C836 WeakPolarHBondContact CA-O 3.27Å; T808-I837 HydrophobicContact CG2-CG1 4.09Å
809	G	89.5	Confident	83.2	Confident	5 Å²	5	64.8 Å²	64.8	5%	0.052	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	-170.6	170.8	0	0	0	0	0	112.8	M835 C836	G809-M835 WeakPolarHBondContact O-CA 3.23Å; G809-C836 PolarHBondContact N-O 3.14Å; G809-C836 PolarHBondContact O-N 2.67Å; G809-C836 PolarHBondContact O-SG 3.27Å; G809-C836 VanDerWaalsContact O-SG 3.38Å
810	V	92.1	Very high	81.5	Confident	54 Å²	54	64.3 Å²	64.3	33%	0.327	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	137.1	179.7	179.6	0	0	0	0	110.6	S803 I812 K833 R834 C836	S803-V810 WeakPolarHBondContact CB-O 3.08Å; S803-V810 PolarHBondContact N-O 2.92Å; S803-V810 PolarHBondContact OG-N 2.8Å; V810-I812 HydrophobicContact CG1-CG1 4.44Å; V810-K833 HydrophobicContact CG1-CB 3.88Å; V810-K833 HydrophobicContact CG1-CD 4.3Å; V810-K833 HydrophobicContact CG1-CG 4.39Å; V810-R834 CarbonylContact C-O 3.52Å; V810-R834 WeakPolarHBondContact CA-O 2.94Å; V810-C836 PolarHBondContact N-SG 3.29Å
811	Q	90.5	Very high	80	Confident	32 Å²	32	70.9 Å²	70.9	15%	0.15	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	149.3	168.1	-61.5	-175.6	-63.1	0	0	110.4	W799 S800 C802 K833 R834 C836	W799-Q811 HydrophobicContact CB-CB 4.41Å; W799-Q811 HydrophobicContact CD2-CB 4.49Å; W799-Q811 HydrophobicContact CE3-CB 3.81Å; W799-Q811 WeakPolarHBondContact CZ3-O 3.37Å; S800-Q811 WeakPolarHBondContact O-CG 3.36Å; S800-Q811 PolarHBondContact O-NE2 2.84Å; C802-Q811 HydrophobicContact CB-CG 4.5Å; Q811-K833 VanDerWaalsContact O-CA 3.31Å; Q811-K833 WeakPolarHBondContact O-CA 3.24Å; Q811-R834 HydrophobicContact CB-CG 4.29Å; Q811-R834 PolarHBondContact N-O 3.08Å; Q811-R834 PolarHBondContact O-N 3.39Å; Q811-C836 HydrophobicContact CG-CB 4.01Å
812	I	91	Very high	78.4	Confident	60 Å²	60	74.8 Å²	74.8	31%	0.308	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	141.3	-176.6	-50.1	-175.9	0	0	0	110.3	S800 V810 T831 E832 K833	S800-I812 PolarHBondContact N-O 3.33Å; S800-I812 PolarHBondContact OG-N 2.94Å; V810-I812 HydrophobicContact CG1-CG1 4.44Å; I812-T831 HydrophobicContact CG2-CG2 3.31Å; I812-E832 WeakPolarHBondContact CA-O 3.49Å; I812-K833 HydrophobicContact CG1-CG 4.16Å
813	R	90.4	Very high	76.8	Confident	60 Å²	60	77.1 Å²	77.1	23%	0.226	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	155.3	166.5	66.4	173.8	-177.9	-167.6	-4.9	111.5	W796 W799 T831 E832	W796-R813 HydrophobicContact CD2-CG 4.26Å; W796-R813 HydrophobicContact CE3-CB 4.3Å; W796-R813 HydrophobicContact CE3-CG 3.65Å; W796-R813 HydrophobicContact CZ3-CG 4.03Å; W796-R813 WeakPolarHBondContact CZ3-O 3.41Å; W799-R813 HydrophobicContact CD2-CB 4.03Å; W799-R813 HydrophobicContact CD2-CG 4.03Å; W799-R813 HydrophobicContact CE3-CB 3.9Å; W799-R813 HydrophobicContact CE3-CG 3.9Å; W799-R813 HydrophobicContact CH2-CG 3.77Å; W799-R813 HydrophobicContact CZ2-CG 3.89Å; W799-R813 HydrophobicContact CZ3-CB 4.23Å; W799-R813 HydrophobicContact CZ3-CG 3.77Å; R813-T831 WeakPolarHBondContact O-CA 2.93Å; R813-E832 HydrophobicContact CG-CB 4.01Å; R813-E832 IonicContact CZ-OE2 2.89Å; R813-E832 PolarHBondContact N-O 3.44Å; R813-E832 IonicContact NE-OE2 3.44Å; R813-E832 PolarHBondContact NE-OE2 3.35Å; R813-E832 VanDerWaalsContact NH2-CD 3.3Å; R813-E832 IonicContact NH2-OE1 3.64Å; R813-E832 PolarHBondContact NH2-OE1 2.8Å; R813-E832 IonicContact NH2-OE2 3.99Å; R813-E832 PolarHBondContact NH2-OE2 3.12Å; R813-E832 PolarHBondContact O-N 2.87Å
814	Q	88.6	Confident	75.1	Confident	87 Å²	87	79.4 Å²	79.4	41%	0.407	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	152	-174.9	-63.6	-176.4	-21.3	0	0	112.5	W796 S797 Q829 Q830 T831	W796-Q814 VanDerWaalsContact CE3-C 3.45Å; S797-Q814 WeakPolarHBondContact CB-O 3.22Å; S797-Q814 PolarHBondContact N-O 3.36Å; S797-Q814 PolarHBondContact OG-N 2.77Å; S797-Q814 PolarHBondContact OG-O 2.98Å; Q814-Q829 VanDerWaalsContact OE1-NE2 3.13Å; Q814-Q830 CarbonylContact C-O 3.6Å; Q814-Q830 VanDerWaalsContact CA-O 3.28Å; Q814-Q830 WeakPolarHBondContact CA-O 3.25Å; Q814-T831 HydrophobicContact CG-CG2 3.93Å; Q814-T831 PolarHBondContact NE2-OG1 2.92Å
815	R	80	Confident	74	Confident	69 Å²	69	86.4 Å²	86.4	26%	0.26	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	148.2	169.3	63.5	-177.9	178.4	-174.1	-2.5	111.2	I793 S795 W796 Q829 Q830	I793-R815 HydrophobicContact CG2-CG 3.95Å; S795-R815 WeakPolarHBondContact O-CB 3.18Å; W796-R815 HydrophobicContact CD2-CB 4.05Å; W796-R815 HydrophobicContact CD2-CG 3.87Å; W796-R815 HydrophobicContact CE3-CB 3.91Å; W796-R815 HydrophobicContact CE3-CG 3.8Å; W796-R815 HydrophobicContact CG-CB 4.42Å; W796-R815 HydrophobicContact CH2-CG 4.02Å; W796-R815 HydrophobicContact CZ2-CG 4.09Å; W796-R815 VanDerWaalsContact CZ2-NE 3.28Å; W796-R815 HydrophobicContact CZ3-CB 4.38Å; W796-R815 HydrophobicContact CZ3-CG 3.88Å; W796-R815 VanDerWaalsContact NE1-NH1 3.17Å; R815-Q829 WeakPolarHBondContact O-CA 3.31Å; R815-Q830 HydrophobicContact CG-CB 4.05Å; R815-Q830 VanDerWaalsContact CZ-OE1 3.23Å; R815-Q830 PolarHBondContact N-O 2.93Å; R815-Q830 PolarHBondContact O-N 3.43Å
816	V	75.6	Confident	72.8	Confident	83 Å²	83	81.3 Å²	81.3	50%	0.503	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	142.7	-174.8	-171	0	0	0	0	110	G794 A828	G794-V816 WeakPolarHBondContact CA-O 3.36Å; G794-V816 PolarHBondContact N-O 2.9Å; V816-A828 WeakPolarHBondContact CA-O 3.31Å; V816-A828 VanDerWaalsContact CG1-O 3.26Å; V816-A828 WeakPolarHBondContact CG1-O 3.27Å
817	A	68.4	Low	71.9	Confident	6 Å²	6	81.6 Å²	81.6	5%	0.05	42%	0.423	C	S	.	.	B	Isolated β-bridge	trans	-65.2	136.2	172.7	0	0	0	0	0	110.4	N819 A828	A817-N819 PolarHBondContact O-N 3.05Å; A817-A828 PolarHBondContact N-O 3.03Å
818	K	66.3	Low	71.2	Confident	153 Å²	153	83.4 Å²	83.4	67%	0.665	44%	0.436	S	S	*	.	S	Bend	trans	-71.6	-18.6	-180	-72.8	-171.5	176.8	-177	0	113.1	R792	R792-K818 PolarHBondContact O-N 3.08Å; R792-K818 VanDerWaalsContact O-N 3.13Å
819	N	60.6	Low	70.8	Confident	115 Å²	115	82.9 Å²	82.9	62%	0.615	43%	0.426	S	S	*	.			trans	-140	73	179.9	-77.2	-29.2	0	0	0	111.4	A817 H821	A817-N819 PolarHBondContact O-N 3.05Å; N819-H821 VanDerWaalsContact C-N 3.32Å; N819-H821 PolarHBondContact O-N 3.15Å
820	P	53	Low	70.4	Confident	54 Å²	54	85.6 Å²	85.6	35%	0.351	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-69.2	-28.8	-178.4	27.4	-33.4	0	0	0	112.7	K822 A828	P820-K822 PolarHBondContact O-N 2.92Å; P820-A828 HydrophobicContact CB-CB 4.44Å
821	H	55.8	Low	70.1	Confident	186 Å²	186	86.3 Å²	86.3	86%	0.861	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-72.1	0.2	-171.9	-75.9	-72.1	0	0	0	116.2	N819	N819-H821 VanDerWaalsContact C-N 3.32Å; N819-H821 PolarHBondContact O-N 3.15Å
822	K	54	Low	70.1	Confident	167 Å²	167	88.2 Å²	88.2	73%	0.726	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-113.8	-1.6	-174.3	-75.5	-171.2	177.3	-179.6	0	115.8	P820	P820-K822 PolarHBondContact O-N 2.92Å
823	Q	52.4	Low	70.2	Confident	72 Å²	72	92.5 Å²	92.5	34%	0.336	47%	0.467	S	S	.	.			trans	-157.9	132.2	175.1	-112.5	162.1	-19.4	0	0	112.4	E825 C826	Q823-E825 PolarHBondContact O-N 2.87Å; Q823-C826 HydrophobicContact CB-CB 4.13Å; Q823-C826 PolarHBondContact O-N 3.34Å
824	P	54.9	Low	70.2	Confident	141 Å²	141	95.6 Å²	95.6	92%	0.916	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-19.4	171.4	24.9	-30.4	0	0	0	113.6
825	E	57.6	Low	70.3	Confident	169 Å²	169	99.1 Å²	99.1	79%	0.79	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-8.4	178.7	-76.5	177.6	158.7	0	0	114.8	Q823 P827	Q823-E825 PolarHBondContact O-N 2.87Å; E825-P827 WeakPolarHBondContact O-CD 3.39Å
826	C	56.4	Low	70.6	Confident	12 Å²	12	96.6 Å²	96.6	8%	0.081	49%	0.489	C	S	.	.	S	Bend	trans	-88.6	104.1	178.2	-166.6	0	0	0	0	106.8	C791 Q823 A828	C791-C826 HydrophobicContact CB-CB 4.09Å; C791-C826 WeakPolarHBondContact CB-SG 3.27Å; C791-C826 WeakPolarHBondContact SG-CB 3.28Å; C791-C826 CovalentContact SG-SG 2.06Å; C791-C826 PolarHBondContact SG-SG 2.91Å; Q823-C826 HydrophobicContact CB-CB 4.13Å; Q823-C826 PolarHBondContact O-N 3.34Å; C826-A828 PolarHBondContact O-N 3.5Å
827	P	64.6	Low	71	Confident	59 Å²	59	98.8 Å²	98.8	38%	0.383	50%	0.497	S	S	.	.			trans	-59.5	120	-175.2	22.5	-32	0	0	0	109	E825 Q829 Q830	E825-P827 WeakPolarHBondContact O-CD 3.39Å; P827-Q829 PolarHBondContact O-N 2Å; P827-Q829 VanDerWaalsContact O-N 3.14Å; P827-Q830 HydrophobicContact CB-CG 4.43Å; P827-Q830 HydrophobicContact CG-CG 4.24Å
828	A	68.1	Low	71.5	Confident	56 Å²	56	102.8 Å²	102.8	46%	0.463	52%	0.515	S	S	.	.	S	Bend	trans	-56	-36.1	-174.7	0	0	0	0	0	111.3	V816 A817 P820 C826	V816-A828 WeakPolarHBondContact CA-O 3.31Å; V816-A828 VanDerWaalsContact CG1-O 3.26Å; V816-A828 WeakPolarHBondContact CG1-O 3.27Å; A817-A828 PolarHBondContact N-O 3.03Å; P820-A828 HydrophobicContact CB-CB 4.44Å; C826-A828 PolarHBondContact O-N 3.5Å
829	Q	76.5	Confident	71.6	Confident	100 Å²	100	100.7 Å²	100.7	47%	0.467	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	139.1	-177.9	-175.2	174.3	-31.2	0	0	110.9	Q814 R815 P827	Q814-Q829 VanDerWaalsContact OE1-NE2 3.13Å; R815-Q829 WeakPolarHBondContact O-CA 3.31Å; P827-Q829 PolarHBondContact O-N 2Å; P827-Q829 VanDerWaalsContact O-N 3.14Å
830	Q	82.1	Confident	71.7	Confident	63 Å²	63	102.4 Å²	102.4	29%	0.294	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	139.7	169.1	-69	-174.2	-28.6	0	0	109.5	W796 Q814 R815 P827	W796-Q830 HydrophobicContact CH2-CB 4.04Å; W796-Q830 WeakPolarHBondContact CZ3-O 3.33Å; Q814-Q830 CarbonylContact C-O 3.6Å; Q814-Q830 VanDerWaalsContact CA-O 3.28Å; Q814-Q830 WeakPolarHBondContact CA-O 3.25Å; R815-Q830 HydrophobicContact CG-CB 4.05Å; R815-Q830 VanDerWaalsContact CZ-OE1 3.23Å; R815-Q830 PolarHBondContact N-O 2.93Å; R815-Q830 PolarHBondContact O-N 3.43Å; P827-Q830 HydrophobicContact CB-CG 4.43Å; P827-Q830 HydrophobicContact CG-CG 4.24Å
831	T	86.2	Confident	71.9	Confident	69 Å²	69	107.1 Å²	107.1	42%	0.423	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125	136.1	179	-57.2	0	0	0	0	108.9	I812 R813 Q814	I812-T831 HydrophobicContact CG2-CG2 3.31Å; R813-T831 WeakPolarHBondContact O-CA 2.93Å; Q814-T831 HydrophobicContact CG-CG2 3.93Å; Q814-T831 PolarHBondContact NE2-OG1 2.92Å
832	E	90.5	Very high	72.7	Confident	72 Å²	72	103.2 Å²	103.2	34%	0.336	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	141.9	177.1	-169.3	-177.6	164.6	0	0	109.6	W796 W799 I812 R813	W796-E832 HydrophobicContact CH2-CB 3.78Å; W796-E832 HydrophobicContact CZ2-CB 4.46Å; W796-E832 HydrophobicContact CZ3-CB 3.98Å; W799-E832 HydrophobicContact CH2-CB 4.35Å; W799-E832 HydrophobicContact CH2-CG 4.03Å; W799-E832 WeakPolarHBondContact CZ3-O 3.29Å; I812-E832 WeakPolarHBondContact CA-O 3.49Å; R813-E832 HydrophobicContact CG-CB 4.01Å; R813-E832 IonicContact CZ-OE2 2.89Å; R813-E832 PolarHBondContact N-O 3.44Å; R813-E832 IonicContact NE-OE2 3.44Å; R813-E832 PolarHBondContact NE-OE2 3.35Å; R813-E832 VanDerWaalsContact NH2-CD 3.3Å; R813-E832 IonicContact NH2-OE1 3.64Å; R813-E832 PolarHBondContact NH2-OE1 2.8Å; R813-E832 IonicContact NH2-OE2 3.99Å; R813-E832 PolarHBondContact NH2-OE2 3.12Å; R813-E832 PolarHBondContact O-N 2.87Å
833	K	91.5	Very high	73.6	Confident	149 Å²	149	99.8 Å²	99.8	65%	0.648	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.9	138.4	-179.3	-58.4	-171	-179.9	179.9	0	109.6	V810 Q811 I812	V810-K833 HydrophobicContact CG1-CB 3.88Å; V810-K833 HydrophobicContact CG1-CD 4.3Å; V810-K833 HydrophobicContact CG1-CG 4.39Å; Q811-K833 VanDerWaalsContact O-CA 3.31Å; Q811-K833 WeakPolarHBondContact O-CA 3.24Å; I812-K833 HydrophobicContact CG1-CG 4.16Å
834	R	91.3	Very high	74.8	Confident	126 Å²	126	101.3 Å²	101.3	48%	0.475	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	153.4	168.5	80.4	174	-178.6	-178	0.3	111.1	W799 V810 Q811	W799-R834 HydrophobicContact CE3-CG 4.26Å; W799-R834 HydrophobicContact CH2-CB 3.94Å; W799-R834 HydrophobicContact CH2-CG 3.94Å; W799-R834 HydrophobicContact CZ2-CG 4.3Å; W799-R834 HydrophobicContact CZ3-CB 4.18Å; W799-R834 HydrophobicContact CZ3-CG 3.92Å; V810-R834 CarbonylContact C-O 3.52Å; V810-R834 WeakPolarHBondContact CA-O 2.94Å; Q811-R834 HydrophobicContact CB-CG 4.29Å; Q811-R834 PolarHBondContact N-O 3.08Å; Q811-R834 PolarHBondContact O-N 3.39Å
835	M	89.5	Confident	76	Confident	161 Å²	161	99 Å²	99	79%	0.793	53%	0.526	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.4	145.6	172.4	-68	-179.2	-71.7	0	0	111.2	G809	G809-M835 WeakPolarHBondContact O-CA 3.23Å
836	C	87.7	Confident	77.1	Confident	15 Å²	15	94.6 Å²	94.6	10%	0.101	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	151.4	168.9	45.4	0	0	0	0	109.1	C802 T808 G809 V810 Q811	C802-C836 WeakPolarHBondContact CA-SG 3.33Å; C802-C836 HydrophobicContact CB-CB 3.98Å; C802-C836 WeakPolarHBondContact CB-SG 3.35Å; C802-C836 WeakPolarHBondContact SG-CB 3.33Å; C802-C836 CovalentContact SG-SG 2.04Å; C802-C836 PolarHBondContact SG-SG 2.73Å; T808-C836 CarbonylContact C-O 3.59Å; T808-C836 WeakPolarHBondContact CA-O 3.27Å; G809-C836 PolarHBondContact N-O 3.14Å; G809-C836 PolarHBondContact O-N 2.67Å; G809-C836 PolarHBondContact O-SG 3.27Å; G809-C836 VanDerWaalsContact O-SG 3.38Å; V810-C836 PolarHBondContact N-SG 3.29Å; Q811-C836 HydrophobicContact CG-CB 4.01Å
837	I	83.2	Confident	78.5	Confident	129 Å²	129	100.1 Å²	100.1	66%	0.662	54%	0.538	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.8	115.1	175.9	-58.6	172.5	0	0	0	106.6	G807 T808	G807-I837 WeakPolarHBondContact O-CA 3.3Å; T808-I837 HydrophobicContact CG2-CG1 4.09Å
838	E	79.3	Confident	79.5	Confident	90 Å²	90	103.1 Å²	103.1	42%	0.421	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	121.4	171.5	-72.6	-61.6	161.3	0	0	109	C802 G807 N840	C802-E838 HydrophobicContact CB-CG 4.11Å; G807-E838 PolarHBondContact N-O 2.73Å; G807-E838 PolarHBondContact O-N 3.09Å; E838-N840 PolarHBondContact O-N 2.86Å
839	S	68.5	Low	80.4	Confident	110 Å²	110	106.7 Å²	106.7	77%	0.769	56%	0.556	S	S	*	*	S	Bend	trans	-88.2	5.6	-164	15.9	0	0	0	0	115.2
840	N	62.3	Low	80.7	Confident	151 Å²	151	107.3 Å²	107.3	81%	0.807	56%	0.563	S	S	*	*			trans	-118.2	83.7	176.5	-88.8	-18.8	0	0	0	110.6	C806 E838	C806-N840 VanDerWaalsContact CB-O 3.24Å; C806-N840 WeakPolarHBondContact CB-O 3.24Å; E838-N840 PolarHBondContact O-N 2.86Å
841	C	56.5	Low	80.6	Confident	152 Å²	152	111.3 Å²	111.3	100%	1.027	59%	0.588	S	S	*	*			trans	-82.7	0	168.4	-71.3	0	0	0	0	112.3	C806 G807	C806-C841 HydrophobicContact CB-CB 4.12Å; C806-C841 VanDerWaalsContact CB-SG 3.54Å; G807-C841 PolarHBondContact N-SG 2.71Å

Retrieved 841 of 841 residues in 346.7 ms (Link to these results)

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