A0A087YKP0_POEFO Loading...

Sema domain, immunoglobulin domain (Ig), short basic domain, secreted, (semaphorin) 3Ab

AlphaFold DB , UniProt , Accession A0A087YKP0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 801 aa.

						>A0A087YKP0_POEFO|A0A087YKP0
MGILWGAITLLCGVAVLRTEGSGPTQTKNNVPRLKLSYKEMLETNNLVTFEGLANSSGYHTLLLDEEKGRLLVGAKDHIFSFNLLNISKDKAQIPWTASPTKRDECKWAGKNLLRECAHFIKVLQPFNQSHFYVCGTGAFHPVCSYLEVGKKPEDGVFRLAPHVENGRGKSPYDPKLLTASRLIDGELYAGTSADFMGRDFAIFRTLGKHHPIRTEQHDSRWLNDPRFVGVHLIPENDNPEDDKIYLFFRENAMDGEHAGKATYARIGQLCKNDLGGHRSLVNKWTTFLKARLICSVPGSNGIDTHFDELQDVFLISTKDPKSPVIYGVFTTSSNVFKGSAVCMYSMADIRRAFLGPYAHRDGPSYQWVPFQGRVPYPRPGTCPSKTFGGFDTTKDLPDEVVTFARSHPAMFNPVYPINNKPIIVKTDVDYQFTKMVVDKVEAEDGLYDVMFIGTDMGTVLKVVAIPRNSWHDLEEVLLEEMTVFREPVAITAMELSTKQQQLYLGSDIGVSQMPLHRCEVYGKACAECCLARDPYCAWDGAECSRYFPMAKRRTRRQDIRNGDPLTQCSDLQQQDELSGQATILDRTVYGVENSSTFLECVPKSQRATTYWQYQRSADDHKQEIKSEERFVRTEQGLLIRTLDKKDSGIYLCQAVEHGFMQIVLKVHLEVIDAERLEDLLHRDEDTATIVPAQDFSLSRETPSQKLWYRDFLSLVNHPTLNSVDDFCDQVWKRERKHKRQKAHHVQKVQTHHQQQQQQAAPSSHNNMHAQGLASKWKHLQERQKGRNRRTHELERAPRSV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.3	Very low	38.4	Very low	248 Å²	248	139.1 Å²	139.1	100%	1.222	78%	0.777	S	S	*	*				0	74.5	0	-72.8	-66.8	-106.8	0	0	108.3
2	G	43.2	Very low	37.9	Very low	76 Å²	76	136.2 Å²	136.2	78%	0.784	77%	0.771	S	S	*	*			trans	-128.9	51.1	-165.7	0	0	0	0	0	111.8
3	I	42.4	Very low	37.3	Very low	155 Å²	155	130.8 Å²	130.8	80%	0.795	76%	0.764	S	S	*	*	S	Bend	trans	-132.2	-2.6	176.1	-60.3	-179.9	0	0	0	112.3
4	L	39.4	Very low	37.1	Very low	148 Å²	148	131 Å²	131	78%	0.775	77%	0.768	S	S	*	*	S	Bend	trans	-107.9	5.9	-175.8	-124	86.2	0	0	0	116.2
5	W	36.7	Very low	36.7	Very low	243 Å²	243	127.9 Å²	127.9	92%	0.92	76%	0.763	S	S	*	*	S	Bend	trans	-111.6	-2.7	178.9	-89.7	47.5	0	0	0	114
6	G	36.9	Very low	36.3	Very low	62 Å²	62	127.9 Å²	127.9	64%	0.639	76%	0.764	S	S	*	*	S	Bend	trans	-95.1	-4.4	178.9	0	0	0	0	0	115.6
7	A	38.7	Very low	35.9	Very low	66 Å²	66	130.5 Å²	130.5	55%	0.545	77%	0.772	S	S	.	*	S	Bend	trans	-107.9	-10.7	-174.3	0	0	0	0	0	114.6
8	I	38.6	Very low	35.5	Very low	130 Å²	130	136.9 Å²	136.9	67%	0.667	78%	0.781	S	S	*	*	S	Bend	trans	-98.8	-18.2	-177.1	-64.2	175.7	0	0	0	112
9	T	37.1	Very low	35	Very low	111 Å²	111	137.4 Å²	137.4	68%	0.681	79%	0.787	S	S	*	*	S	Bend	trans	-88.5	-8.7	176.9	37.2	0	0	0	0	114.6
10	L	35.3	Very low	34.5	Very low	145 Å²	145	140.3 Å²	140.3	76%	0.759	79%	0.793	S	S	*	*	S	Bend	trans	-94.8	-9.9	176.2	-136.6	91.8	0	0	0	114.3
11	L	34.3	Very low	34.1	Very low	146 Å²	146	137.6 Å²	137.6	76%	0.764	80%	0.796	S	S	*	*	S	Bend	trans	-105.6	-10.3	-179.4	-94.7	146.8	0	0	0	114.2
12	C	31.8	Very low	33.3	Very low	104 Å²	104	131.3 Å²	131.3	70%	0.703	78%	0.777	S	S	*	*	S	Bend	trans	-100.6	-1.7	172.3	-76	0	0	0	0	114.2
13	G	30.6	Very low	32.5	Very low	66 Å²	66	130 Å²	130	68%	0.68	76%	0.764	S	S	*	*	S	Bend	trans	-94.3	-0.7	179.2	0	0	0	0	0	115.9
14	V	33.7	Very low	31.7	Very low	134 Å²	134	128.7 Å²	128.7	81%	0.812	77%	0.765	S	S	*	*	S	Bend	trans	-115.2	2.1	-178.4	-171.2	0	0	0	0	112.4
15	A	31	Very low	31.3	Very low	85 Å²	85	127.9 Å²	127.9	70%	0.702	77%	0.767	S	S	*	*	S	Bend	trans	-106.7	6.2	-176.4	0	0	0	0	0	115
16	V	31.4	Very low	31.1	Very low	127 Å²	127	124.5 Å²	124.5	77%	0.77	76%	0.761	S	S	*	*	S	Bend	trans	-134.8	77.5	179.6	-173.4	0	0	0	0	109.4
17	L	29	Very low	31.4	Very low	173 Å²	173	126.6 Å²	126.6	91%	0.906	76%	0.762	S	S	*	*	S	Bend	trans	-177.2	73.8	159.5	-98.9	163.5	0	0	0	107.7
18	R	28.8	Very low	32.1	Very low	246 Å²	246	127.5 Å²	127.5	93%	0.928	75%	0.753	S	S	*	*			trans	176.5	67	157.1	-100.8	173.9	-171.5	-161.9	3.2	109.7
19	T	26.4	Very low	32.9	Very low	146 Å²	146	123.8 Å²	123.8	90%	0.896	74%	0.735	S	S	*	*			trans	-140.6	65.2	161.7	55.5	0	0	0	0	107.9
20	E	24.8	Very low	34.4	Very low	194 Å²	194	122.2 Å²	122.2	91%	0.907	72%	0.722	S	S	*	*	S	Bend	trans	-106.8	133.1	152.3	-79.9	-172.3	156	0	0	106.9	S22	E20-S22 PolarHBondContact O-N 2.74Å
21	G	26	Very low	36.8	Very low	84 Å²	84	117.9 Å²	117.9	87%	0.866	70%	0.702	S	S	*	*			trans	-64.1	111.4	-156	0	0	0	0	0	114.5	G23	G21-G23 PolarHBondContact O-N 2.88Å
22	S	24.3	Very low	39.5	Very low	116 Å²	116	111.6 Å²	111.6	81%	0.811	67%	0.669	S	S	*	*			trans	-76	94.7	144.6	61.3	0	0	0	0	107.3	E20	E20-S22 PolarHBondContact O-N 2.74Å
23	G	25	Very low	42.4	Very low	50 Å²	50	107.1 Å²	107.1	52%	0.515	64%	0.638	S	S	.	*			trans	-52	154.2	155.6	0	0	0	0	0	109	G21 T25	G21-G23 PolarHBondContact O-N 2.88Å; G23-T25 PolarHBondContact O-N 3.47Å
24	P	26.8	Very low	45.4	Very low	126 Å²	126	104.6 Å²	104.6	82%	0.818	61%	0.608	S	S	*	*			trans	-58.8	111.4	177.3	26.1	-30.9	0	0	0	107.1	Q26	P24-Q26 PolarHBondContact O-N 2.8Å
25	T	30.3	Very low	48.3	Very low	132 Å²	132	103.9 Å²	103.9	81%	0.81	60%	0.595	S	S	*	*			trans	-60.8	89.1	158.6	32.7	0	0	0	0	105.1	G23 T27	G23-T25 PolarHBondContact O-N 3.47Å; T25-T27 VanDerWaalsContact C-N 3.26Å; T25-T27 PolarHBondContact O-N 3.15Å
26	Q	32.6	Very low	51.4	Low	172 Å²	172	101 Å²	101	80%	0.804	57%	0.567	S	S	*	*			trans	-52.7	103.7	161	-90.6	-177.6	-13.8	0	0	104.9	P24 K28	P24-Q26 PolarHBondContact O-N 2.8Å; Q26-K28 PolarHBondContact O-N 3.18Å
27	T	42.1	Very low	54.4	Low	106 Å²	106	97.2 Å²	97.2	65%	0.65	55%	0.546	S	S	*	.			trans	-55.8	108.3	171	39.5	0	0	0	0	106.3	T25 N29	T25-T27 VanDerWaalsContact C-N 3.26Å; T25-T27 PolarHBondContact O-N 3.15Å; T27-N29 PolarHBondContact O-N 3.14Å
28	K	54.3	Low	57.6	Low	85 Å²	85	90.8 Å²	90.8	37%	0.37	51%	0.51	S	S	.	.	G	3₁₀ helix	trans	-63.9	27.2	177.7	-71.8	-171.8	170.9	-167.7	0	112.5	Q26 N30 V31 E635	Q26-K28 PolarHBondContact O-N 3.18Å; K28-N30 PolarHBondContact O-N 2.73Å; K28-V31 HydrophobicContact CB-CG2 4.29Å; K28-V31 PolarHBondContact O-N 3.18Å; K28-E635 IonicContact NZ-OE1 3.97Å; K28-E635 PolarHBondContact NZ-OE1 3.06Å
29	N	54.8	Low	60.9	Low	51 Å²	51	85.4 Å²	85.4	27%	0.273	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-66	-23.2	-178.2	-67.8	13	0	0	0	111.9	T27 R607	T27-N29 PolarHBondContact O-N 3.14Å; N29-R607 PolarHBondContact O-NH2 3.44Å; N29-R607 VanDerWaalsContact O-NH2 3.08Å
30	N	68.3	Low	64.1	Low	78 Å²	78	82.6 Å²	82.6	42%	0.417	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-86.6	-0.6	-179.3	-110.5	-22.6	0	0	0	114.6	K28 K426	K28-N30 PolarHBondContact O-N 2.73Å; N30-K426 VanDerWaalsContact CG-NZ 3.34Å; N30-K426 PolarHBondContact O-NZ 2.87Å; N30-K426 PolarHBondContact OD1-NZ 2.89Å
31	V	86.4	Confident	67.5	Low	55 Å²	55	73.4 Å²	73.4	33%	0.333	43%	0.427	S	S	.	.	S	Bend	trans	-90.4	140.2	173.8	-175.9	0	0	0	0	108.7	K28 R33 Q606 R607	K28-V31 HydrophobicContact CB-CG2 4.29Å; K28-V31 PolarHBondContact O-N 3.18Å; V31-R33 PolarHBondContact O-N 3.49Å; V31-Q606 HydrophobicContact CG1-CB 3.8Å; V31-R607 PolarHBondContact O-NE 2.89Å; V31-R607 PolarHBondContact O-NH2 2.86Å
32	P	91.8	Very high	70.7	Confident	13 Å²	13	72.4 Å²	72.4	8%	0.084	40%	0.402	C	S	.	.			trans	-61.1	137.8	174.4	25.8	-34.3	0	0	0	110.6	L478 E481 Q606	P32-L478 WeakPolarHBondContact CA-O 2.94Å; P32-L478 HydrophobicContact CB-CD2 3.74Å; P32-L478 HydrophobicContact CB-CG 3.78Å; P32-L478 HydrophobicContact CG-CD2 4.18Å; P32-E481 HydrophobicContact CB-CB 3.82Å; P32-E481 HydrophobicContact CG-CB 3.88Å; P32-Q606 WeakPolarHBondContact O-CB 3.22Å
33	R	92.6	Very high	74	Confident	10 Å²	10	72.9 Å²	72.9	4%	0.038	39%	0.391	C	S	.	.	S	Bend	trans	-60.8	-49.5	174.5	-169	-174.7	-177.1	-132.6	1.9	109.9	V31 L478 L479 E528 L531 S605 Q606 E657	V31-R33 PolarHBondContact O-N 3.49Å; R33-L478 PolarHBondContact N-O 2.91Å; R33-L478 VanDerWaalsContact N-O 3.1Å; R33-L479 VanDerWaalsContact CB-O 3.29Å; R33-L479 WeakPolarHBondContact CB-O 3.13Å; R33-L479 PolarHBondContact N-O 2.66Å; R33-E528 PolarHBondContact NH1-O 2.7Å; R33-E528 VanDerWaalsContact NH1-O 3.17Å; R33-E528 PolarHBondContact NH2-O 2.9Å; R33-L531 PolarHBondContact NE-O 2.71Å; R33-S605 WeakPolarHBondContact CG-OG 3.49Å; R33-S605 CarbonylContact O-C 3.53Å; R33-S605 VanDerWaalsContact O-CA 3.26Å; R33-S605 WeakPolarHBondContact O-CA 3.31Å; R33-Q606 PolarHBondContact O-N 3.24Å; R33-E657 IonicContact CZ-OE2 2.98Å; R33-E657 IonicContact NE-OE1 3.1Å; R33-E657 PolarHBondContact NE-OE1 3.2Å; R33-E657 VanDerWaalsContact NE-OE1 3.09Å; R33-E657 IonicContact NE-OE2 2.78Å; R33-E657 PolarHBondContact NE-OE2 3.38Å; R33-E657 IonicContact NH2-OE2 2.93Å; R33-E657 PolarHBondContact NH2-OE2 2.93Å
34	L	94.1	Very high	77.1	Confident	13 Å²	13	74 Å²	74	7%	0.068	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	138.3	175.3	-60	-177.5	0	0	0	111.1	L479 E480 E481 V521 Y522 K604	L34-L479 PolarHBondContact N-O 3.29Å; L34-E480 HydrophobicContact CB-CG 4.49Å; L34-E480 CarbonylContact O-C 3.57Å; L34-E480 VanDerWaalsContact O-CA 3.32Å; L34-E480 WeakPolarHBondContact O-CA 3.27Å; L34-E481 PolarHBondContact O-N 3.3Å; L34-V521 HydrophobicContact CD1-CB 4.29Å; L34-V521 HydrophobicContact CD1-CG2 3.53Å; L34-Y522 HydrophobicContact CD1-CD1 3.51Å; L34-Y522 HydrophobicContact CD1-CE1 3.62Å; L34-Y522 HydrophobicContact CG-CD1 4.25Å; L34-Y522 HydrophobicContact CG-CE1 4.23Å; L34-K604 HydrophobicContact CD2-CB 4.22Å; L34-K604 WeakPolarHBondContact CD2-O 3.34Å
35	K	94.1	Very high	80.2	Confident	120 Å²	120	75 Å²	75	52%	0.522	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	119.4	170.6	-176.9	164.9	176.3	146	0	108.8	E481	K35-E481 CarbonylContact C-O 3.45Å; K35-E481 WeakPolarHBondContact CA-O 3.27Å; K35-E481 WeakPolarHBondContact CE-OE1 3.39Å; K35-E481 HydrophobicContact CG-CB 4.45Å; K35-E481 IonicContact NZ-OE1 3.04Å; K35-E481 PolarHBondContact NZ-OE1 3.02Å
36	L	94.9	Very high	83.1	Confident	25 Å²	25	69.2 Å²	69.2	13%	0.131	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	120	-173.7	-60.3	175.9	0	0	0	109.8	M41 E481 M482 T483	L36-M41 HydrophobicContact CB-CG 3.96Å; L36-M41 HydrophobicContact CB-SD 3.77Å; L36-M41 HydrophobicContact CD1-SD 3.67Å; L36-M41 HydrophobicContact CG-SD 4.36Å; L36-E481 PolarHBondContact N-O 3.17Å; L36-M482 HydrophobicContact CB-CG 4.32Å; L36-M482 HydrophobicContact CD1-CG 4.11Å; L36-T483 PolarHBondContact O-N 2.8Å
37	S	95.9	Very high	86.2	Confident	47 Å²	47	61.4 Å²	61.4	33%	0.329	32%	0.315	S	S	.	.			trans	-72.3	160.1	174.9	68.9	0	0	0	0	111.4	K39 E40 M41	S37-K39 PolarHBondContact O-N 2.91Å; S37-E40 VanDerWaalsContact CB-OE2 3.31Å; S37-E40 WeakPolarHBondContact CB-OE2 3.35Å; S37-E40 PolarHBondContact N-OE2 2.86Å; S37-E40 PolarHBondContact O-N 3.01Å; S37-E40 VanDerWaalsContact OG-CD 3.27Å; S37-E40 VanDerWaalsContact OG-CG 3.31Å; S37-E40 WeakPolarHBondContact OG-CG 3.47Å; S37-E40 PolarHBondContact OG-N 3.17Å; S37-E40 PolarHBondContact OG-OE2 3.43Å; S37-M41 VanDerWaalsContact O-CG 3.31Å; S37-M41 WeakPolarHBondContact O-CG 3.35Å; S37-M41 PolarHBondContact O-N 3.32Å
38	Y	96.3	Very high	88.8	Confident	37 Å²	37	58.1 Å²	58.1	15%	0.145	29%	0.294	C	S	.	.	H	α-helix	trans	-56.3	-37.7	176.9	-179.6	-105	0	0	0	112.2	L42 L47 T49 T483 F485 R486	Y38-L42 HydrophobicContact CD1-CD1 3.87Å; Y38-L42 HydrophobicContact CE1-CD1 3.29Å; Y38-L42 HydrophobicContact CE1-CG 4.21Å; Y38-L42 HydrophobicContact CE2-CD1 4.36Å; Y38-L42 WeakPolarHBondContact O-CG 3.37Å; Y38-L42 PolarHBondContact O-N 2.71Å; Y38-L42 VanDerWaalsContact O-N 3.13Å; Y38-L47 HydrophobicContact CD2-CD2 3.76Å; Y38-L47 HydrophobicContact CE2-CD2 3.58Å; Y38-T49 HydrophobicContact CE2-CG2 4.17Å; Y38-T483 WeakPolarHBondContact CA-O 3.39Å; Y38-F485 VanDerWaalsContact CD2-C 3.44Å; Y38-R486 HydrophobicContact CD1-CB 4.14Å; Y38-R486 HydrophobicContact CD1-CG 4.3Å; Y38-R486 HydrophobicContact CE1-CB 3.67Å; Y38-R486 HydrophobicContact CE1-CG 3.97Å; Y38-R486 HydrophobicContact CE2-CB 4.36Å
39	K	96.1	Very high	90.7	Very high	133 Å²	133	55.6 Å²	55.6	58%	0.578	29%	0.286	S	S	*	.	H	α-helix	trans	-65.4	-48.1	178.7	-176.4	-178.5	169.1	-172	0	111.3	S37 M41 L42 E43	S37-K39 PolarHBondContact O-N 2.91Å; K39-M41 VanDerWaalsContact C-N 3.33Å; K39-M41 PolarHBondContact O-N 2.89Å; K39-L42 PolarHBondContact O-N 3.07Å; K39-E43 VanDerWaalsContact CE-CD 3.46Å; K39-E43 WeakPolarHBondContact CE-OE1 3.09Å; K39-E43 HydrophobicContact CG-CG 4.37Å; K39-E43 IonicContact NZ-OE1 3.41Å; K39-E43 WeakPolarHBondContact O-CB 3.45Å; K39-E43 WeakPolarHBondContact O-CG 3.12Å; K39-E43 PolarHBondContact O-N 2.9Å
40	E	94.3	Very high	92.7	Very high	88 Å²	88	54.4 Å²	54.4	41%	0.411	28%	0.279	S	S	.	.	H	α-helix	trans	-63.2	-40.8	178.2	-70.4	161.2	143.6	0	0	111.7	S37 L42 E43 T44	S37-E40 VanDerWaalsContact CB-OE2 3.31Å; S37-E40 WeakPolarHBondContact CB-OE2 3.35Å; S37-E40 PolarHBondContact N-OE2 2.86Å; S37-E40 PolarHBondContact O-N 3.01Å; S37-E40 VanDerWaalsContact OG-CD 3.27Å; S37-E40 VanDerWaalsContact OG-CG 3.31Å; S37-E40 WeakPolarHBondContact OG-CG 3.47Å; S37-E40 PolarHBondContact OG-N 3.17Å; S37-E40 PolarHBondContact OG-OE2 3.43Å; E40-L42 VanDerWaalsContact C-N 3.3Å; E40-L42 PolarHBondContact O-N 3.11Å; E40-E43 PolarHBondContact O-N 3.32Å; E40-T44 WeakPolarHBondContact O-CB 3.33Å; E40-T44 WeakPolarHBondContact O-CG2 3.3Å; E40-T44 PolarHBondContact O-N 3.49Å; E40-T44 PolarHBondContact O-OG1 3.21Å
41	M	95.9	Very high	93.9	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-59.9	-39.2	176.8	-72.4	-66.2	-67.3	0	0	112.3	L36 S37 K39 N46 L47 M482	L36-M41 HydrophobicContact CB-CG 3.96Å; L36-M41 HydrophobicContact CB-SD 3.77Å; L36-M41 HydrophobicContact CD1-SD 3.67Å; L36-M41 HydrophobicContact CG-SD 4.36Å; S37-M41 VanDerWaalsContact O-CG 3.31Å; S37-M41 WeakPolarHBondContact O-CG 3.35Å; S37-M41 PolarHBondContact O-N 3.32Å; K39-M41 VanDerWaalsContact C-N 3.33Å; K39-M41 PolarHBondContact O-N 2.89Å; M41-N46 HydrophobicContact CE-CB 4.13Å; M41-N46 WeakPolarHBondContact CE-O 3.38Å; M41-N46 CarbonylContact O-C 3.55Å; M41-N46 PolarHBondContact O-N 3.35Å; M41-N46 HydrophobicContact SD-CB 4.32Å; M41-L47 HydrophobicContact CB-CB 3.93Å; M41-L47 HydrophobicContact CB-CD2 4.08Å; M41-L47 HydrophobicContact CE-CB 4.37Å; M41-L47 PolarHBondContact O-N 3.44Å; M41-M482 HydrophobicContact CE-CB 4.07Å; M41-M482 HydrophobicContact CE-CG 4.19Å; M41-M482 HydrophobicContact CE-SD 4.35Å; M41-M482 HydrophobicContact SD-CB 4.06Å; M41-M482 HydrophobicContact SD-CG 3.97Å
42	L	94.2	Very high	94.1	Very high	63 Å²	63	55 Å²	55	33%	0.33	28%	0.282	S	S	.	.	H	α-helix	trans	-72.9	-47.4	175	-73.4	175.7	0	0	0	112.6	Y38 K39 E40 T44 N45 L47 T49	Y38-L42 HydrophobicContact CD1-CD1 3.87Å; Y38-L42 HydrophobicContact CE1-CD1 3.29Å; Y38-L42 HydrophobicContact CE1-CG 4.21Å; Y38-L42 HydrophobicContact CE2-CD1 4.36Å; Y38-L42 WeakPolarHBondContact O-CG 3.37Å; Y38-L42 PolarHBondContact O-N 2.71Å; Y38-L42 VanDerWaalsContact O-N 3.13Å; K39-L42 PolarHBondContact O-N 3.07Å; E40-L42 VanDerWaalsContact C-N 3.3Å; E40-L42 PolarHBondContact O-N 3.11Å; L42-T44 PolarHBondContact O-N 3.1Å; L42-N45 PolarHBondContact O-N 3.42Å; L42-N45 VanDerWaalsContact O-N 3.09Å; L42-L47 HydrophobicContact CD2-CB 4.39Å; L42-L47 HydrophobicContact CD2-CD2 4.26Å; L42-L47 HydrophobicContact CG-CD2 4.43Å; L42-T49 HydrophobicContact CD2-CG2 4.44Å
43	E	93.4	Very high	94.2	Very high	127 Å²	127	56.4 Å²	56.4	59%	0.593	29%	0.289	S	S	*	.	H	α-helix	trans	-63.8	-28.6	-176.6	-74	176.9	163.6	0	0	112.6	K39 E40	K39-E43 VanDerWaalsContact CE-CD 3.46Å; K39-E43 WeakPolarHBondContact CE-OE1 3.09Å; K39-E43 HydrophobicContact CG-CG 4.37Å; K39-E43 IonicContact NZ-OE1 3.41Å; K39-E43 WeakPolarHBondContact O-CB 3.45Å; K39-E43 WeakPolarHBondContact O-CG 3.12Å; K39-E43 PolarHBondContact O-N 2.9Å; E40-E43 PolarHBondContact O-N 3.32Å
44	T	89.6	Confident	94.1	Very high	74 Å²	74	61.6 Å²	61.6	45%	0.454	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	7.4	177.3	56.7	0	0	0	0	114	E40 L42 N46	E40-T44 WeakPolarHBondContact O-CB 3.33Å; E40-T44 WeakPolarHBondContact O-CG2 3.3Å; E40-T44 PolarHBondContact O-N 3.49Å; E40-T44 PolarHBondContact O-OG1 3.21Å; L42-T44 PolarHBondContact O-N 3.1Å; T44-N46 WeakPolarHBondContact CB-ND2 3.49Å; T44-N46 PolarHBondContact O-N 3.44Å; T44-N46 VanDerWaalsContact O-N 3.17Å; T44-N46 PolarHBondContact OG1-ND2 3.01Å
45	N	91.2	Very high	93.8	Very high	145 Å²	145	66.1 Å²	66.1	78%	0.775	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	24.2	-174.2	-65.4	-38.4	0	0	0	114.2	L42 L47	L42-N45 PolarHBondContact O-N 3.42Å; L42-N45 VanDerWaalsContact O-N 3.09Å; N45-L47 VanDerWaalsContact C-N 3.29Å
46	N	93.1	Very high	93.8	Very high	12 Å²	12	61 Å²	61	6%	0.064	34%	0.338	C	S	.	.			trans	-91	4.9	179.9	-77.9	-37.8	0	0	0	113.2	M41 T44 M514 P515 R518	M41-N46 HydrophobicContact CE-CB 4.13Å; M41-N46 WeakPolarHBondContact CE-O 3.38Å; M41-N46 CarbonylContact O-C 3.55Å; M41-N46 PolarHBondContact O-N 3.35Å; M41-N46 HydrophobicContact SD-CB 4.32Å; T44-N46 WeakPolarHBondContact CB-ND2 3.49Å; T44-N46 PolarHBondContact O-N 3.44Å; T44-N46 VanDerWaalsContact O-N 3.17Å; T44-N46 PolarHBondContact OG1-ND2 3.01Å; N46-M514 WeakPolarHBondContact O-CB 3.16Å; N46-P515 VanDerWaalsContact O-CD 3.27Å; N46-P515 WeakPolarHBondContact O-CD 3.22Å; N46-R518 HydrophobicContact CB-CG 4.33Å; N46-R518 WeakPolarHBondContact OD1-CG 3.45Å
47	L	96.4	Very high	93.8	Very high	8 Å²	8	61.5 Å²	61.5	4%	0.042	34%	0.343	C	S	.	.			trans	-148.6	130.4	179.9	-170.8	71.2	0	0	0	109.6	Y38 M41 L42 N45 T49 V484 Q513 M514	Y38-L47 HydrophobicContact CD2-CD2 3.76Å; Y38-L47 HydrophobicContact CE2-CD2 3.58Å; M41-L47 HydrophobicContact CB-CB 3.93Å; M41-L47 HydrophobicContact CB-CD2 4.08Å; M41-L47 HydrophobicContact CE-CB 4.37Å; M41-L47 PolarHBondContact O-N 3.44Å; L42-L47 HydrophobicContact CD2-CB 4.39Å; L42-L47 HydrophobicContact CD2-CD2 4.26Å; L42-L47 HydrophobicContact CG-CD2 4.43Å; N45-L47 VanDerWaalsContact C-N 3.29Å; L47-T49 HydrophobicContact CD1-CG2 4.46Å; L47-T49 HydrophobicContact CD2-CG2 3.78Å; L47-T49 HydrophobicContact CG-CG2 3.74Å; L47-V484 HydrophobicContact CD1-CB 4.1Å; L47-V484 HydrophobicContact CD1-CG1 4.11Å; L47-Q513 WeakPolarHBondContact CA-O 3.49Å; L47-M514 HydrophobicContact CD1-CB 4.18Å
48	V	96.6	Very high	93.7	Very high	36 Å²	36	59.5 Å²	59.5	22%	0.218	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.4	170.5	-179.3	0	0	0	0	107.1	I87 S88 S512 Q513	V48-I87 HydrophobicContact CB-CG1 4.33Å; V48-I87 HydrophobicContact CG1-CD1 4.49Å; V48-I87 HydrophobicContact CG1-CG1 3.69Å; V48-S88 WeakPolarHBondContact CG1-OG 3.26Å; V48-S512 CarbonylContact O-C 3.2Å; V48-S512 WeakPolarHBondContact O-CA 3.45Å; V48-Q513 HydrophobicContact CB-CB 4.29Å; V48-Q513 PolarHBondContact N-O 2.94Å; V48-Q513 PolarHBondContact O-N 3.05Å
49	T	95.6	Very high	93.8	Very high	33 Å²	33	57.8 Å²	57.8	20%	0.202	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	136.5	-174.4	60.6	0	0	0	0	111.7	Y38 L42 L47 S512	Y38-T49 HydrophobicContact CE2-CG2 4.17Å; L42-T49 HydrophobicContact CD2-CG2 4.44Å; L47-T49 HydrophobicContact CD1-CG2 4.46Å; L47-T49 HydrophobicContact CD2-CG2 3.78Å; L47-T49 HydrophobicContact CG-CG2 3.74Å; T49-S512 WeakPolarHBondContact CG2-OG 3.37Å
50	F	96.1	Very high	93.7	Very high	26 Å²	26	54.1 Å²	54.1	11%	0.114	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	103.1	161.5	171.9	-111.1	0	0	0	108.6	G52 L53 Y59 F80 F82 I87 K91 G510 V511	F50-G52 PolarHBondContact O-N 3.06Å; F50-L53 HydrophobicContact CZ-CD2 4.09Å; F50-L53 HydrophobicContact CZ-CG 4.33Å; F50-Y59 HydrophobicContact CD1-CE1 4.34Å; F50-Y59 AromaticContact CE1-CE1 3.75Å; F50-Y59 HydrophobicContact CE1-CE1 3.75Å; F50-Y59 AromaticContact CE1-CZ 3.98Å; F50-F80 HydrophobicContact CE1-CE1 4.44Å; F50-F80 HydrophobicContact CZ-CE1 4.29Å; F50-F82 HydrophobicContact CB-CE1 4.11Å; F50-F82 HydrophobicContact CB-CZ 4.42Å; F50-F82 AromaticContact CD1-CE1 3.92Å; F50-F82 HydrophobicContact CD1-CE1 3.92Å; F50-F82 AromaticContact CD1-CZ 3.56Å; F50-F82 HydrophobicContact CD1-CZ 3.56Å; F50-F82 HydrophobicContact CD2-CE1 4.22Å; F50-F82 HydrophobicContact CE1-CE1 4.43Å; F50-F82 AromaticContact CE1-CZ 3.95Å; F50-F82 HydrophobicContact CE1-CZ 3.95Å; F50-F82 AromaticContact CG-CE1 3.79Å; F50-F82 HydrophobicContact CG-CE1 3.79Å; F50-F82 AromaticContact CG-CZ 3.94Å; F50-F82 HydrophobicContact CG-CZ 3.94Å; F50-I87 HydrophobicContact CB-CD1 4.38Å; F50-K91 HydrophobicContact CD2-CD 4.35Å; F50-K91 HydrophobicContact CE2-CD 4.02Å; F50-K91 HydrophobicContact CZ-CD 4.33Å; F50-G510 VanDerWaalsContact O-CA 3.25Å; F50-G510 WeakPolarHBondContact O-CA 3.31Å; F50-V511 HydrophobicContact CB-CB 4.46Å; F50-V511 PolarHBondContact N-O 3.27Å; F50-V511 PolarHBondContact O-N 2.88Å; F50-V511 VanDerWaalsContact O-N 3.08Å
51	E	92.9	Very high	93.8	Very high	119 Å²	119	50.9 Å²	50.9	56%	0.556	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.4	122.2	168	-61	-170	163.9	0	0	108	R486	E51-R486 IonicContact OE1-NH1 2.86Å
52	G	91.1	Very high	93.9	Very high	26 Å²	26	51.6 Å²	51.6	27%	0.268	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-57.7	170.6	-172.1	0	0	0	0	0	114.5	F50 Y59 I509	F50-G52 PolarHBondContact O-N 3.06Å; G52-Y59 WeakPolarHBondContact CA-OH 3.22Å; G52-I509 WeakPolarHBondContact CA-O 3.21Å; G52-I509 PolarHBondContact N-O 2.94Å
53	L	93.3	Very high	94	Very high	42 Å²	42	49.7 Å²	49.7	22%	0.22	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-75	143.6	177.3	-54.9	-179.7	0	0	0	110.3	F50 N55 S56 Y59 F80	F50-L53 HydrophobicContact CZ-CD2 4.09Å; F50-L53 HydrophobicContact CZ-CG 4.33Å; L53-N55 PolarHBondContact O-N 2.99Å; L53-S56 PolarHBondContact O-N 3.28Å; L53-Y59 PolarHBondContact N-OH 3.16Å; L53-F80 HydrophobicContact CD1-CE1 4.01Å; L53-F80 HydrophobicContact CD1-CZ 3.76Å; L53-F80 HydrophobicContact CG-CE1 4.38Å; L53-F80 HydrophobicContact CG-CZ 4.12Å
54	A	90.4	Very high	94.1	Very high	119 Å²	119	45.4 Å²	45.4	98%	0.983	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-25	-178.1	0	0	0	0	0	115
55	N	88.5	Confident	94.3	Very high	108 Å²	108	42.6 Å²	42.6	58%	0.578	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	7	178.7	65.5	-14.5	0	0	0	113.8	L53	L53-N55 PolarHBondContact O-N 2.99Å
56	S	93.8	Very high	94.4	Very high	14 Å²	14	38.7 Å²	38.7	10%	0.098	23%	0.228	C	C	.	.			trans	-122	164	179.2	-168.2	0	0	0	0	110.4	L53 K76	L53-S56 PolarHBondContact O-N 3.28Å; S56-K76 PolarHBondContact OG-O 3.28Å
57	S	95.3	Very high	94.2	Very high	34 Å²	34	45.7 Å²	45.7	24%	0.238	26%	0.26	C	S	.	.			trans	-164.9	179.3	178	67.9	0	0	0	0	108.6	K76 D508	S57-K76 WeakPolarHBondContact O-CB 3.37Å; S57-K76 PolarHBondContact O-N 2.95Å; S57-D508 VanDerWaalsContact CA-O 3.25Å; S57-D508 WeakPolarHBondContact CA-O 3.41Å; S57-D508 WeakPolarHBondContact CB-O 3.42Å
58	G	94.4	Very high	93.9	Very high	5 Å²	5	46.4 Å²	46.4	5%	0.052	26%	0.263	C	S	.	.			trans	73.2	50.1	165.6	0	0	0	0	0	114.1	H60 A75 D508	G58-H60 VanDerWaalsContact CA-CE1 3.48Å; G58-H60 WeakPolarHBondContact CA-CE1 3.31Å; G58-H60 WeakPolarHBondContact CA-NE2 3.42Å; G58-H60 PolarHBondContact O-N 2.83Å; G58-A75 WeakPolarHBondContact O-CA 3.3Å; G58-D508 WeakPolarHBondContact CA-OD1 3.29Å; G58-D508 PolarHBondContact N-O 3.01Å; G58-D508 VanDerWaalsContact N-O 3.17Å
59	Y	97.2	Very high	93.7	Very high	1 Å²	1	45.9 Å²	45.9	0%	0.004	27%	0.265	C	S	.	.			trans	-75.6	57.2	-179.4	-60.6	-92.8	0	0	0	111.3	F50 G52 L53 V73 A75 F80 G506 S507 V511	F50-Y59 HydrophobicContact CD1-CE1 4.34Å; F50-Y59 AromaticContact CE1-CE1 3.75Å; F50-Y59 HydrophobicContact CE1-CE1 3.75Å; F50-Y59 AromaticContact CE1-CZ 3.98Å; G52-Y59 WeakPolarHBondContact CA-OH 3.22Å; L53-Y59 PolarHBondContact N-OH 3.16Å; Y59-V73 HydrophobicContact CD1-CG1 3.97Å; Y59-A75 HydrophobicContact CD1-CB 3.73Å; Y59-A75 HydrophobicContact CE1-CB 3.81Å; Y59-A75 HydrophobicContact CG-CB 4.24Å; Y59-F80 HydrophobicContact CD1-CD2 4.35Å; Y59-F80 HydrophobicContact CD1-CE2 4.24Å; Y59-F80 AromaticContact CE1-CD2 3.94Å; Y59-F80 HydrophobicContact CE1-CD2 3.94Å; Y59-F80 AromaticContact CE1-CE2 3.46Å; Y59-F80 HydrophobicContact CE1-CE2 3.46Å; Y59-F80 VanDerWaalsContact CE1-CE2 3.46Å; Y59-F80 HydrophobicContact CE1-CZ 4.05Å; Y59-G506 VanDerWaalsContact O-CA 3.3Å; Y59-G506 WeakPolarHBondContact O-CA 3.43Å; Y59-S507 WeakPolarHBondContact CB-O 3.4Å; Y59-S507 WeakPolarHBondContact CD2-O 3.5Å; Y59-S507 PolarHBondContact N-O 3.43Å; Y59-V511 HydrophobicContact CD1-CG2 3.97Å; Y59-V511 HydrophobicContact CG-CG2 4.15Å
60	H	93.7	Very high	93.7	Very high	56 Å²	56	48.1 Å²	48.1	26%	0.259	27%	0.27	S	S	.	.			trans	-103.5	-5.8	-161.7	-54.9	167.4	0	0	0	113.9	G58 T492 A493 D508	G58-H60 VanDerWaalsContact CA-CE1 3.48Å; G58-H60 WeakPolarHBondContact CA-CE1 3.31Å; G58-H60 WeakPolarHBondContact CA-NE2 3.42Å; G58-H60 PolarHBondContact O-N 2.83Å; H60-T492 PolarHBondContact CD2-OG1 3.03Å; H60-T492 PolarHBondContact NE2-OG1 3.24Å; H60-A493 WeakPolarHBondContact O-CB 3.48Å; H60-D508 IonicContact CE1-OD1 3.61Å; H60-D508 PolarHBondContact CE1-OD1 2.62Å; H60-D508 IonicContact NE2-OD1 3.98Å; H60-D508 PolarHBondContact NE2-OD1 3.1Å; H60-D508 VanDerWaalsContact NE2-OD1 3.1Å
61	T	96.7	Very high	93.7	Very high	20 Å²	20	46.9 Å²	46.9	12%	0.123	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	103.5	179.7	-50.4	0	0	0	0	108.6	V73 G74 I121 L124	T61-V73 CarbonylContact O-C 3.59Å; T61-V73 WeakPolarHBondContact O-CA 3.39Å; T61-G74 PolarHBondContact O-N 2.78Å; T61-I121 PolarHBondContact OG1-O 3.42Å; T61-L124 HydrophobicContact CG2-CB 3.54Å
62	L	97.7	Very high	93.9	Very high	15 Å²	15	41.3 Å²	41.3	8%	0.079	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	145	176.6	-66.5	168.8	0	0	0	109.3	L71 L72 V73 A493 E495	L62-L71 HydrophobicContact CB-CD1 4.49Å; L62-L71 HydrophobicContact CD2-CD1 4.12Å; L62-L71 HydrophobicContact CD2-CD2 4.14Å; L62-L71 HydrophobicContact CD2-CG 4.32Å; L62-L72 WeakPolarHBondContact CA-O 3.39Å; L62-V73 HydrophobicContact CD2-CB 4.32Å; L62-V73 HydrophobicContact CD2-CG1 4.08Å; L62-V73 HydrophobicContact CD2-CG2 3.51Å; L62-A493 HydrophobicContact CB-CB 4.45Å; L62-A493 HydrophobicContact CD1-CB 3.45Å; L62-A493 VanDerWaalsContact CD1-CB 3.45Å; L62-A493 HydrophobicContact CG-CB 3.7Å; L62-E495 HydrophobicContact CB-CG 3.59Å; L62-E495 HydrophobicContact CD1-CB 4.37Å; L62-E495 HydrophobicContact CD1-CG 4.09Å; L62-E495 HydrophobicContact CG-CG 4.5Å
63	L	97.1	Very high	94.3	Very high	24 Å²	24	40.1 Å²	40.1	13%	0.126	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	123.3	165.9	-178.1	72	0	0	0	109.3	L72 L124 F132	L63-L72 HydrophobicContact CB-CB 4.37Å; L63-L72 PolarHBondContact N-O 3.22Å; L63-L72 PolarHBondContact O-N 3.17Å; L63-L124 HydrophobicContact CB-CD2 3.37Å; L63-L124 HydrophobicContact CB-CG 3.9Å; L63-L124 HydrophobicContact CD2-CD2 4.3Å; L63-L124 HydrophobicContact CD2-CG 4Å; L63-L124 HydrophobicContact CG-CD2 4.48Å; L63-F132 HydrophobicContact CD2-CD1 3.36Å; L63-F132 HydrophobicContact CD2-CE1 3.43Å; L63-F132 VanDerWaalsContact CD2-CE1 3.43Å; L63-F132 HydrophobicContact CD2-CG 4.2Å; L63-F132 HydrophobicContact CD2-CZ 4.25Å
64	L	95.6	Very high	94.5	Very high	37 Å²	37	38.1 Å²	38.1	19%	0.194	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	119.7	178.9	-174	68.2	0	0	0	110.6	E66 L84 Y504	L64-E66 HydrophobicContact CD1-CG 4.25Å; L64-E66 HydrophobicContact CD2-CG 3.59Å; L64-E66 HydrophobicContact CG-CG 3.66Å; L64-L84 HydrophobicContact CD1-CD1 3.23Å; L64-L84 HydrophobicContact CD1-CD2 3.9Å; L64-L84 HydrophobicContact CD1-CG 4.19Å; L64-Y504 HydrophobicContact CD1-CD2 4.44Å; L64-Y504 HydrophobicContact CD1-CE2 4.14Å
65	D	93.8	Very high	94.9	Very high	14 Å²	14	32.4 Å²	32.4	8%	0.075	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	84.9	169.1	-172.9	-15.7	0	0	0	109.2	E67 K68 G69 R70 F132	D65-E67 VanDerWaalsContact C-N 3.26Å; D65-E67 PolarHBondContact O-N 2.94Å; D65-E67 PolarHBondContact OD1-N 3.36Å; D65-K68 PolarHBondContact O-N 2.85Å; D65-K68 PolarHBondContact OD1-N 2.86Å; D65-K68 IonicContact OD1-NZ 3.66Å; D65-K68 WeakPolarHBondContact OD2-CD 3.45Å; D65-K68 WeakPolarHBondContact OD2-CG 3.32Å; D65-K68 IonicContact OD2-NZ 2.77Å; D65-K68 PolarHBondContact OD2-NZ 2.88Å; D65-G69 PolarHBondContact O-N 2.99Å; D65-R70 CarbonylContact C-O 3.56Å; D65-R70 WeakPolarHBondContact CA-O 3.49Å; D65-R70 PolarHBondContact N-O 2.83Å; D65-R70 PolarHBondContact O-N 3.47Å; D65-F132 HydrophobicContact CB-CZ 4.21Å; D65-F132 WeakPolarHBondContact OD2-CZ 3.36Å
66	E	92.4	Very high	95.3	Very high	63 Å²	63	28.8 Å²	28.8	29%	0.294	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-24	-179.8	-61.1	-164.7	128.9	0	0	113.5	L64 L84 S497 K499	L64-E66 HydrophobicContact CD1-CG 4.25Å; L64-E66 HydrophobicContact CD2-CG 3.59Å; L64-E66 HydrophobicContact CG-CG 3.66Å; E66-L84 HydrophobicContact CG-CD2 4.38Å; E66-S497 WeakPolarHBondContact OE1-CB 3.16Å; E66-S497 PolarHBondContact OE1-OG 2.91Å; E66-K499 WeakPolarHBondContact OE1-CB 3.45Å
67	E	89.9	Confident	95.5	Very high	159 Å²	159	28.7 Å²	28.7	74%	0.743	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-41.9	177.6	-64.7	-172.8	161.2	0	0	110.2	D65	D65-E67 VanDerWaalsContact C-N 3.26Å; D65-E67 PolarHBondContact O-N 2.94Å; D65-E67 PolarHBondContact OD1-N 3.36Å
68	K	90	Very high	95.6	Very high	24 Å²	24	27.8 Å²	27.8	10%	0.104	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-4	178.7	-58.6	-176.2	-161.8	63.6	0	113.9	D65 R70 Q129 V149 G150	D65-K68 PolarHBondContact O-N 2.85Å; D65-K68 PolarHBondContact OD1-N 2.86Å; D65-K68 IonicContact OD1-NZ 3.66Å; D65-K68 WeakPolarHBondContact OD2-CD 3.45Å; D65-K68 WeakPolarHBondContact OD2-CG 3.32Å; D65-K68 IonicContact OD2-NZ 2.77Å; D65-K68 PolarHBondContact OD2-NZ 2.88Å; K68-R70 VanDerWaalsContact C-N 3.31Å; K68-R70 HydrophobicContact CB-CG 4.32Å; K68-R70 PolarHBondContact O-N 2.87Å; K68-Q129 WeakPolarHBondContact CE-O 3.42Å; K68-Q129 PolarHBondContact NZ-O 3.17Å; K68-V149 HydrophobicContact CD-CG2 4.28Å; K68-G150 WeakPolarHBondContact CE-O 3.24Å
69	G	92.3	Very high	95.7	Very high	24 Å²	24	27.6 Å²	27.6	25%	0.247	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	63	38.5	-177.1	0	0	0	0	0	112.2	D65 L84	D65-G69 PolarHBondContact O-N 2.99Å; G69-L84 VanDerWaalsContact O-CB 3.23Å; G69-L84 WeakPolarHBondContact O-CB 3.43Å; G69-L84 PolarHBondContact O-N 3.32Å
70	R	94.6	Very high	95.8	Very high	81 Å²	81	27.5 Å²	27.5	31%	0.306	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	142.3	-178.1	-64.7	-61.2	-168.5	162.5	-1.6	112	D65 K68 S81 F82 D90	D65-R70 CarbonylContact C-O 3.56Å; D65-R70 WeakPolarHBondContact CA-O 3.49Å; D65-R70 PolarHBondContact N-O 2.83Å; D65-R70 PolarHBondContact O-N 3.47Å; K68-R70 VanDerWaalsContact C-N 3.31Å; K68-R70 HydrophobicContact CB-CG 4.32Å; K68-R70 PolarHBondContact O-N 2.87Å; R70-S81 WeakPolarHBondContact CD-OG 3.44Å; R70-F82 VanDerWaalsContact CA-O 3.32Å; R70-F82 WeakPolarHBondContact CA-O 3.28Å; R70-F82 WeakPolarHBondContact CD-O 3.35Å; R70-D90 PolarHBondContact NH1-O 3.42Å
71	L	97.3	Very high	95.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	115.6	164.8	176.6	71.8	0	0	0	108.4	L62 V73 F82 L84 I87 Y504 V511	L62-L71 HydrophobicContact CB-CD1 4.49Å; L62-L71 HydrophobicContact CD2-CD1 4.12Å; L62-L71 HydrophobicContact CD2-CD2 4.14Å; L62-L71 HydrophobicContact CD2-CG 4.32Å; L71-V73 HydrophobicContact CD2-CG2 4.14Å; L71-V73 HydrophobicContact CG-CG2 4.01Å; L71-F82 HydrophobicContact CB-CB 4.32Å; L71-F82 PolarHBondContact N-O 3.03Å; L71-F82 PolarHBondContact O-N 3.36Å; L71-L84 HydrophobicContact CB-CD1 4.04Å; L71-I87 HydrophobicContact CD2-CG2 4.39Å; L71-Y504 HydrophobicContact CD1-CG 4.39Å; L71-Y504 HydrophobicContact CD2-CD1 3.66Å; L71-Y504 HydrophobicContact CD2-CE1 4.45Å; L71-Y504 HydrophobicContact CD2-CG 3.85Å; L71-V511 HydrophobicContact CD2-CG1 4.3Å
72	L	97.7	Very high	95.9	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.01	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	137	175	-64.2	-176.2	0	0	0	110.5	L62 L63 F80 L124 F132 L147 F158	L62-L72 WeakPolarHBondContact CA-O 3.39Å; L63-L72 HydrophobicContact CB-CB 4.37Å; L63-L72 PolarHBondContact N-O 3.22Å; L63-L72 PolarHBondContact O-N 3.17Å; L72-F80 CarbonylContact C-O 3.57Å; L72-F80 WeakPolarHBondContact CA-O 3.41Å; L72-L124 HydrophobicContact CB-CD2 3.63Å; L72-F132 HydrophobicContact CD1-CD1 4.47Å; L72-F132 HydrophobicContact CD1-CD2 3.31Å; L72-F132 HydrophobicContact CD1-CE2 3.33Å; L72-F132 HydrophobicContact CD1-CG 3.93Å; L72-F132 HydrophobicContact CD1-CZ 4.01Å; L72-L147 HydrophobicContact CD1-CD2 4Å; L72-F158 HydrophobicContact CD2-CE2 3.65Å; L72-F158 HydrophobicContact CD2-CZ 4.27Å
73	V	98.4	Very high	95.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	119.7	-177.4	-171.7	0	0	0	0	111	Y59 T61 L62 L71 I79 F80 F82 V511	Y59-V73 HydrophobicContact CD1-CG1 3.97Å; T61-V73 CarbonylContact O-C 3.59Å; T61-V73 WeakPolarHBondContact O-CA 3.39Å; L62-V73 HydrophobicContact CD2-CB 4.32Å; L62-V73 HydrophobicContact CD2-CG1 4.08Å; L62-V73 HydrophobicContact CD2-CG2 3.51Å; L71-V73 HydrophobicContact CD2-CG2 4.14Å; L71-V73 HydrophobicContact CG-CG2 4.01Å; V73-I79 CarbonylContact O-C 3.58Å; V73-I79 WeakPolarHBondContact O-CA 3.37Å; V73-F80 HydrophobicContact CB-CB 4.26Å; V73-F80 PolarHBondContact N-O 2.86Å; V73-F80 PolarHBondContact O-N 2.97Å; V73-F82 HydrophobicContact CB-CD2 4.43Å; V73-F82 HydrophobicContact CB-CE2 3.96Å; V73-F82 HydrophobicContact CG2-CD2 3.64Å; V73-F82 HydrophobicContact CG2-CE2 3.54Å; V73-V511 HydrophobicContact CG1-CG2 4.08Å; V73-V511 HydrophobicContact CG2-CG2 4.31Å
74	G	98.1	Very high	95.6	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	130.4	169	0	0	0	0	0	111.4	T61	T61-G74 PolarHBondContact O-N 2.78Å
75	A	97.8	Very high	95.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.138	C	C	.	.			trans	-136.1	-170.1	178.5	0	0	0	0	0	111.6	G58 Y59 D77 H78 F80 I121	G58-A75 WeakPolarHBondContact O-CA 3.3Å; Y59-A75 HydrophobicContact CD1-CB 3.73Å; Y59-A75 HydrophobicContact CE1-CB 3.81Å; Y59-A75 HydrophobicContact CG-CB 4.24Å; A75-D77 PolarHBondContact O-N 2.59Å; A75-H78 PolarHBondContact N-O 3.09Å; A75-F80 HydrophobicContact CB-CD2 4.24Å; A75-F80 HydrophobicContact CB-CE2 3.78Å; A75-I121 WeakPolarHBondContact O-CG1 3.24Å; A75-I121 PolarHBondContact O-N 2.96Å; A75-I121 VanDerWaalsContact O-N 3.16Å
76	K	97.7	Very high	95.5	Very high	31 Å²	31	29.3 Å²	29.3	14%	0.135	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-68.4	120.5	168.6	-176.8	-171.2	174.3	-168.9	0	110.8	S56 S57 H78 L114 A118 F120	S56-K76 PolarHBondContact OG-O 3.28Å; S57-K76 WeakPolarHBondContact O-CB 3.37Å; S57-K76 PolarHBondContact O-N 2.95Å; K76-H78 PolarHBondContact O-N 3.31Å; K76-H78 VanDerWaalsContact O-N 3.09Å; K76-H78 PolarHBondContact O-ND1 2.99Å; K76-L114 PolarHBondContact NZ-O 3.4Å; K76-A118 HydrophobicContact CD-CB 4.18Å; K76-A118 HydrophobicContact CG-CB 3.81Å; K76-F120 HydrophobicContact CB-CD1 3.86Å; K76-F120 HydrophobicContact CB-CE1 3.71Å; K76-F120 HydrophobicContact CB-CZ 4.34Å; K76-F120 HydrophobicContact CD-CE1 3.92Å; K76-F120 HydrophobicContact CD-CZ 3.84Å; K76-F120 HydrophobicContact CG-CD1 4.15Å; K76-F120 HydrophobicContact CG-CE1 3.72Å; K76-F120 HydrophobicContact CG-CE2 4.33Å; K76-F120 HydrophobicContact CG-CZ 3.83Å
77	D	97.3	Very high	95.7	Very high	13 Å²	13	26.4 Å²	26.4	7%	0.07	13%	0.132	C	C	.	.	S	Bend	trans	60.8	9.4	176.9	-63.5	-45.3	0	0	0	114.8	A75 P95 W96 T97 H119	A75-D77 PolarHBondContact O-N 2.59Å; D77-P95 CarbonylContact O-C 3.57Å; D77-P95 WeakPolarHBondContact O-CA 3.43Å; D77-W96 CarbonylContact O-C 3.55Å; D77-W96 PolarHBondContact O-N 2.76Å; D77-T97 HydrophobicContact CB-CG2 3.73Å; D77-H119 WeakPolarHBondContact CA-O 3.46Å; D77-H119 PolarHBondContact N-O 2.84Å; D77-H119 PolarHBondContact OD1-N 3.3Å
78	H	97.5	Very high	95.8	Very high	15 Å²	15	22.6 Å²	22.6	7%	0.069	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	147.9	-172.2	-63.8	81.2	0	0	0	112.5	A75 K76 F80 I94	A75-H78 PolarHBondContact N-O 3.09Å; K76-H78 PolarHBondContact O-N 3.31Å; K76-H78 VanDerWaalsContact O-N 3.09Å; K76-H78 PolarHBondContact O-ND1 2.99Å; H78-F80 HydrophobicContact CB-CD2 4.23Å; H78-F80 HydrophobicContact CB-CE1 4.45Å; H78-F80 HydrophobicContact CB-CE2 3.45Å; H78-F80 VanDerWaalsContact CB-CE2 3.45Å; H78-F80 HydrophobicContact CB-CZ 3.59Å; H78-I94 WeakPolarHBondContact CA-O 3.47Å
79	I	98.1	Very high	95.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	131.5	162.3	-53.3	164.6	0	0	0	107.4	V73 Q93 I94 W96 I121 V134 L147 F158 L160	V73-I79 CarbonylContact O-C 3.58Å; V73-I79 WeakPolarHBondContact O-CA 3.37Å; I79-Q93 CarbonylContact O-C 3.59Å; I79-Q93 WeakPolarHBondContact O-CA 3.35Å; I79-I94 PolarHBondContact N-O 3.37Å; I79-I94 PolarHBondContact O-N 3.42Å; I79-W96 HydrophobicContact CD1-CE3 3.81Å; I79-W96 HydrophobicContact CD1-CZ3 4.29Å; I79-W96 HydrophobicContact CG1-CE3 4.48Å; I79-I121 HydrophobicContact CD1-CD1 4.4Å; I79-I121 HydrophobicContact CG1-CD1 3.98Å; I79-I121 HydrophobicContact CG1-CG1 3.98Å; I79-V134 HydrophobicContact CD1-CG1 3.88Å; I79-V134 HydrophobicContact CD1-CG2 4.48Å; I79-V134 HydrophobicContact CG1-CG1 4.47Å; I79-L147 HydrophobicContact CG2-CD2 4.08Å; I79-F158 HydrophobicContact CG2-CZ 4.13Å; I79-L160 HydrophobicContact CD1-CD1 4.2Å
80	F	97.4	Very high	95.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	151.5	178.3	-59.4	-88.1	0	0	0	111	F50 L53 Y59 L72 V73 A75 H78 F82 K91 A92 Q93	F50-F80 HydrophobicContact CE1-CE1 4.44Å; F50-F80 HydrophobicContact CZ-CE1 4.29Å; L53-F80 HydrophobicContact CD1-CE1 4.01Å; L53-F80 HydrophobicContact CD1-CZ 3.76Å; L53-F80 HydrophobicContact CG-CE1 4.38Å; L53-F80 HydrophobicContact CG-CZ 4.12Å; Y59-F80 HydrophobicContact CD1-CD2 4.35Å; Y59-F80 HydrophobicContact CD1-CE2 4.24Å; Y59-F80 AromaticContact CE1-CD2 3.94Å; Y59-F80 HydrophobicContact CE1-CD2 3.94Å; Y59-F80 AromaticContact CE1-CE2 3.46Å; Y59-F80 HydrophobicContact CE1-CE2 3.46Å; Y59-F80 VanDerWaalsContact CE1-CE2 3.46Å; Y59-F80 HydrophobicContact CE1-CZ 4.05Å; L72-F80 CarbonylContact C-O 3.57Å; L72-F80 WeakPolarHBondContact CA-O 3.41Å; V73-F80 HydrophobicContact CB-CB 4.26Å; V73-F80 PolarHBondContact N-O 2.86Å; V73-F80 PolarHBondContact O-N 2.97Å; A75-F80 HydrophobicContact CB-CD2 4.24Å; A75-F80 HydrophobicContact CB-CE2 3.78Å; H78-F80 HydrophobicContact CB-CD2 4.23Å; H78-F80 HydrophobicContact CB-CE1 4.45Å; H78-F80 HydrophobicContact CB-CE2 3.45Å; H78-F80 VanDerWaalsContact CB-CE2 3.45Å; H78-F80 HydrophobicContact CB-CZ 3.59Å; F80-F82 HydrophobicContact CB-CD2 4.07Å; F80-F82 HydrophobicContact CB-CE2 3.39Å; F80-F82 HydrophobicContact CB-CZ 3.79Å; F80-F82 HydrophobicContact CD1-CZ 4.26Å; F80-F82 HydrophobicContact CG-CE2 4.08Å; F80-F82 HydrophobicContact CG-CZ 4.05Å; F80-K91 HydrophobicContact CD1-CD 4.22Å; F80-A92 WeakPolarHBondContact CA-O 3.36Å; F80-Q93 HydrophobicContact CD1-CB 3.67Å; F80-Q93 HydrophobicContact CE1-CB 3.83Å
81	S	96.9	Very high	95.5	Very high	5 Å²	5	31.8 Å²	31.8	4%	0.035	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	113.2	167.6	177	0	0	0	0	108.4	R70 K91 A92	R70-S81 WeakPolarHBondContact CD-OG 3.44Å; S81-K91 WeakPolarHBondContact O-CA 3.39Å; S81-A92 PolarHBondContact N-O 2.95Å; S81-A92 PolarHBondContact O-N 3.19Å
82	F	96.5	Very high	95.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	151	179.2	-62	-83.1	0	0	0	110.6	F50 R70 L71 V73 F80 L84 I87 K91 V511	F50-F82 HydrophobicContact CB-CE1 4.11Å; F50-F82 HydrophobicContact CB-CZ 4.42Å; F50-F82 AromaticContact CD1-CE1 3.92Å; F50-F82 HydrophobicContact CD1-CE1 3.92Å; F50-F82 AromaticContact CD1-CZ 3.56Å; F50-F82 HydrophobicContact CD1-CZ 3.56Å; F50-F82 HydrophobicContact CD2-CE1 4.22Å; F50-F82 HydrophobicContact CE1-CE1 4.43Å; F50-F82 AromaticContact CE1-CZ 3.95Å; F50-F82 HydrophobicContact CE1-CZ 3.95Å; F50-F82 AromaticContact CG-CE1 3.79Å; F50-F82 HydrophobicContact CG-CE1 3.79Å; F50-F82 AromaticContact CG-CZ 3.94Å; F50-F82 HydrophobicContact CG-CZ 3.94Å; R70-F82 VanDerWaalsContact CA-O 3.32Å; R70-F82 WeakPolarHBondContact CA-O 3.28Å; R70-F82 WeakPolarHBondContact CD-O 3.35Å; L71-F82 HydrophobicContact CB-CB 4.32Å; L71-F82 PolarHBondContact N-O 3.03Å; L71-F82 PolarHBondContact O-N 3.36Å; V73-F82 HydrophobicContact CB-CD2 4.43Å; V73-F82 HydrophobicContact CB-CE2 3.96Å; V73-F82 HydrophobicContact CG2-CD2 3.64Å; V73-F82 HydrophobicContact CG2-CE2 3.54Å; F80-F82 HydrophobicContact CB-CD2 4.07Å; F80-F82 HydrophobicContact CB-CE2 3.39Å; F80-F82 HydrophobicContact CB-CZ 3.79Å; F80-F82 HydrophobicContact CD1-CZ 4.26Å; F80-F82 HydrophobicContact CG-CE2 4.08Å; F80-F82 HydrophobicContact CG-CZ 4.05Å; F82-L84 PolarHBondContact O-N 3.25Å; F82-I87 HydrophobicContact CB-CB 4.13Å; F82-I87 HydrophobicContact CB-CG2 3.98Å; F82-I87 HydrophobicContact CD1-CB 4.11Å; F82-I87 VanDerWaalsContact CD1-O 3.28Å; F82-I87 WeakPolarHBondContact CD1-O 3.24Å; F82-I87 HydrophobicContact CG-CB 4.28Å; F82-I87 HydrophobicContact CG-CG2 4.43Å; F82-K91 HydrophobicContact CD1-CB 4.18Å; F82-K91 HydrophobicContact CD1-CD 4.12Å; F82-K91 HydrophobicContact CD1-CG 3.8Å; F82-K91 HydrophobicContact CE1-CB 4.39Å; F82-K91 HydrophobicContact CE1-CD 3.48Å; F82-K91 VanDerWaalsContact CE1-CD 3.48Å; F82-K91 HydrophobicContact CE1-CG 3.65Å; F82-K91 HydrophobicContact CZ-CD 4.16Å; F82-K91 HydrophobicContact CZ-CG 4.4Å; F82-V511 HydrophobicContact CE2-CG2 4.35Å
83	N	94.6	Very high	95.2	Very high	36 Å²	36	37.3 Å²	37.3	19%	0.193	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	130.3	166.4	-176.3	-47.9	0	0	0	109	L85 N86 I87 K89 D90	N83-L85 VanDerWaalsContact C-N 3.34Å; N83-L85 PolarHBondContact O-N 3.21Å; N83-L85 WeakPolarHBondContact OD1-CB 3.21Å; N83-L85 PolarHBondContact OD1-N 3.04Å; N83-N86 CarbonylContact O-C 3.57Å; N83-N86 VanDerWaalsContact O-C 3.29Å; N83-N86 PolarHBondContact O-N 3.3Å; N83-I87 PolarHBondContact O-N 3.15Å; N83-K89 VanDerWaalsContact CB-O 3.3Å; N83-K89 WeakPolarHBondContact CB-O 3.37Å; N83-D90 HydrophobicContact CB-CB 4.37Å
84	L	94.3	Very high	95.1	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.2	C	C	.	.	S	Bend	trans	-69.5	-31.3	-174.8	-167.9	64.7	0	0	0	113	L64 E66 G69 L71 F82 Q500 Y504	L64-L84 HydrophobicContact CD1-CD1 3.23Å; L64-L84 HydrophobicContact CD1-CD2 3.9Å; L64-L84 HydrophobicContact CD1-CG 4.19Å; E66-L84 HydrophobicContact CG-CD2 4.38Å; G69-L84 VanDerWaalsContact O-CB 3.23Å; G69-L84 WeakPolarHBondContact O-CB 3.43Å; G69-L84 PolarHBondContact O-N 3.32Å; L71-L84 HydrophobicContact CB-CD1 4.04Å; F82-L84 PolarHBondContact O-N 3.25Å; L84-Q500 HydrophobicContact CD2-CG 3.67Å; L84-Q500 HydrophobicContact CG-CG 3.99Å; L84-Y504 HydrophobicContact CD1-CD2 4.44Å; L84-Y504 HydrophobicContact CD1-CE1 3.93Å; L84-Y504 HydrophobicContact CD1-CE2 3.59Å; L84-Y504 WeakPolarHBondContact CD1-OH 2.98Å; L84-Y504 HydrophobicContact CG-CE2 4.48Å; L84-Y504 VanDerWaalsContact CG-OH 3.29Å; L84-Y504 WeakPolarHBondContact CG-OH 3.48Å; L84-Y504 PolarHBondContact O-OH 2.88Å
85	L	93.1	Very high	95	Very high	115 Å²	115	42.3 Å²	42.3	60%	0.602	23%	0.227	S	C	*	.	S	Bend	trans	-71.4	-38.5	177.6	-65	172.5	0	0	0	112	N83 Q513	N83-L85 VanDerWaalsContact C-N 3.34Å; N83-L85 PolarHBondContact O-N 3.21Å; N83-L85 WeakPolarHBondContact OD1-CB 3.21Å; N83-L85 PolarHBondContact OD1-N 3.04Å; L85-Q513 PolarHBondContact O-NE2 2.92Å
86	N	94.1	Very high	95	Very high	46 Å²	46	43.5 Å²	43.5	25%	0.246	23%	0.231	C	C	.	.			trans	-151.5	107.5	-179.5	-173.8	-37.8	0	0	0	110.3	N83 S88 K89	N83-N86 CarbonylContact O-C 3.57Å; N83-N86 VanDerWaalsContact O-C 3.29Å; N83-N86 PolarHBondContact O-N 3.3Å; N86-S88 PolarHBondContact O-N 2.99Å; N86-S88 VanDerWaalsContact O-N 3.11Å; N86-S88 WeakPolarHBondContact OD1-CA 3.37Å; N86-S88 VanDerWaalsContact OD1-CB 3.28Å; N86-S88 WeakPolarHBondContact OD1-CB 3.47Å; N86-S88 PolarHBondContact OD1-N 3.43Å; N86-K89 HydrophobicContact CB-CD 4.4Å; N86-K89 HydrophobicContact CB-CG 4.37Å; N86-K89 PolarHBondContact O-N 3.45Å
87	I	95.8	Very high	94.9	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-15.3	-176.9	64.5	169	0	0	0	114	V48 F50 L71 F82 N83 K89 Y504 V511 Q513	V48-I87 HydrophobicContact CB-CG1 4.33Å; V48-I87 HydrophobicContact CG1-CD1 4.49Å; V48-I87 HydrophobicContact CG1-CG1 3.69Å; F50-I87 HydrophobicContact CB-CD1 4.38Å; L71-I87 HydrophobicContact CD2-CG2 4.39Å; F82-I87 HydrophobicContact CB-CB 4.13Å; F82-I87 HydrophobicContact CB-CG2 3.98Å; F82-I87 HydrophobicContact CD1-CB 4.11Å; F82-I87 VanDerWaalsContact CD1-O 3.28Å; F82-I87 WeakPolarHBondContact CD1-O 3.24Å; F82-I87 HydrophobicContact CG-CB 4.28Å; F82-I87 HydrophobicContact CG-CG2 4.43Å; N83-I87 PolarHBondContact O-N 3.15Å; I87-K89 VanDerWaalsContact C-N 3.28Å; I87-Y504 HydrophobicContact CG2-CD1 4.17Å; I87-Y504 HydrophobicContact CG2-CE1 4.17Å; I87-V511 HydrophobicContact CD1-CB 4.43Å; I87-V511 HydrophobicContact CD1-CG1 4.07Å; I87-Q513 HydrophobicContact CD1-CB 3.83Å; I87-Q513 HydrophobicContact CG1-CB 3.99Å; I87-Q513 HydrophobicContact CG2-CB 4.21Å
88	S	92	Very high	94.8	Very high	79 Å²	79	45.6 Å²	45.6	55%	0.552	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-9.7	173.9	-57	0	0	0	0	113.3	V48 N86	V48-S88 WeakPolarHBondContact CG1-OG 3.26Å; N86-S88 PolarHBondContact O-N 2.99Å; N86-S88 VanDerWaalsContact O-N 3.11Å; N86-S88 WeakPolarHBondContact OD1-CA 3.37Å; N86-S88 VanDerWaalsContact OD1-CB 3.28Å; N86-S88 WeakPolarHBondContact OD1-CB 3.47Å; N86-S88 PolarHBondContact OD1-N 3.43Å
89	K	91.2	Very high	94.7	Very high	127 Å²	127	47.5 Å²	47.5	55%	0.552	26%	0.263	S	S	*	.	S	Bend	trans	-110.2	149.6	-178.9	-62.5	-174	-179.7	-178.8	0	111.9	N83 N86 I87 K91	N83-K89 VanDerWaalsContact CB-O 3.3Å; N83-K89 WeakPolarHBondContact CB-O 3.37Å; N86-K89 HydrophobicContact CB-CD 4.4Å; N86-K89 HydrophobicContact CB-CG 4.37Å; N86-K89 PolarHBondContact O-N 3.45Å; I87-K89 VanDerWaalsContact C-N 3.28Å; K89-K91 PolarHBondContact O-N 2.93Å; K89-K91 VanDerWaalsContact O-N 3.09Å
90	D	87.1	Confident	94.6	Very high	115 Å²	115	52.2 Å²	52.2	62%	0.615	29%	0.293	S	S	*	.	S	Bend	trans	48.6	39.1	171.2	-50.4	-32.6	0	0	0	115.5	R70 N83 A92	R70-D90 PolarHBondContact NH1-O 3.42Å; N83-D90 HydrophobicContact CB-CB 4.37Å; D90-A92 PolarHBondContact O-N 3.13Å
91	K	92.1	Very high	94.5	Very high	81 Å²	81	56.4 Å²	56.4	35%	0.352	32%	0.319	S	S	.	.			trans	-70.5	124.6	176.2	-177.8	-171.3	79.4	-174.7	0	110.7	F50 F80 S81 F82 K89	F50-K91 HydrophobicContact CD2-CD 4.35Å; F50-K91 HydrophobicContact CE2-CD 4.02Å; F50-K91 HydrophobicContact CZ-CD 4.33Å; F80-K91 HydrophobicContact CD1-CD 4.22Å; S81-K91 WeakPolarHBondContact O-CA 3.39Å; F82-K91 HydrophobicContact CD1-CB 4.18Å; F82-K91 HydrophobicContact CD1-CD 4.12Å; F82-K91 HydrophobicContact CD1-CG 3.8Å; F82-K91 HydrophobicContact CE1-CB 4.39Å; F82-K91 HydrophobicContact CE1-CD 3.48Å; F82-K91 VanDerWaalsContact CE1-CD 3.48Å; F82-K91 HydrophobicContact CE1-CG 3.65Å; F82-K91 HydrophobicContact CZ-CD 4.16Å; F82-K91 HydrophobicContact CZ-CG 4.4Å; K89-K91 PolarHBondContact O-N 2.93Å; K89-K91 VanDerWaalsContact O-N 3.09Å
92	A	93.8	Very high	94.5	Very high	32 Å²	32	58.7 Å²	58.7	26%	0.264	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	151.3	165.3	0	0	0	0	0	110.6	F80 S81 D90 F158	F80-A92 WeakPolarHBondContact CA-O 3.36Å; S81-A92 PolarHBondContact N-O 2.95Å; S81-A92 PolarHBondContact O-N 3.19Å; D90-A92 PolarHBondContact O-N 3.13Å; A92-F158 HydrophobicContact CB-CD1 3.62Å; A92-F158 HydrophobicContact CB-CE1 4.05Å; A92-F158 HydrophobicContact CB-CG 4.36Å
93	Q	95.1	Very high	94.5	Very high	85 Å²	85	62.5 Å²	62.5	40%	0.397	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	144.2	178.6	69.1	-177.7	36.3	0	0	111.3	I79 F80	I79-Q93 CarbonylContact O-C 3.59Å; I79-Q93 WeakPolarHBondContact O-CA 3.35Å; F80-Q93 HydrophobicContact CD1-CB 3.67Å; F80-Q93 HydrophobicContact CE1-CB 3.83Å
94	I	96.9	Very high	94.6	Very high	20 Å²	20	64 Å²	64	10%	0.103	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	116.8	173.3	-65.9	163.7	0	0	0	107.6	H78 I79 W96 L147 F158 L160	H78-I94 WeakPolarHBondContact CA-O 3.47Å; I79-I94 PolarHBondContact N-O 3.37Å; I79-I94 PolarHBondContact O-N 3.42Å; I94-W96 PolarHBondContact O-N 2.9Å; I94-L147 HydrophobicContact CD1-CD1 3.37Å; I94-F158 HydrophobicContact CB-CE1 4.41Å; I94-F158 HydrophobicContact CD1-CD1 3.62Å; I94-F158 HydrophobicContact CD1-CD2 4.29Å; I94-F158 HydrophobicContact CD1-CE1 3.52Å; I94-F158 HydrophobicContact CD1-CE2 4.18Å; I94-F158 HydrophobicContact CD1-CG 4.02Å; I94-F158 HydrophobicContact CD1-CZ 3.8Å; I94-F158 HydrophobicContact CG1-CD1 3.75Å; I94-F158 HydrophobicContact CG1-CE1 3.57Å; I94-F158 HydrophobicContact CG1-CZ 4.27Å; I94-L160 HydrophobicContact CG2-CB 4.23Å
95	P	96.6	Very high	94.8	Very high	86 Å²	86	67.6 Å²	67.6	56%	0.558	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71	127.6	168.1	29.5	-31.5	0	0	0	109.4	D77	D77-P95 CarbonylContact O-C 3.57Å; D77-P95 WeakPolarHBondContact O-CA 3.43Å
96	W	96.4	Very high	95	Very high	25 Å²	25	62.3 Å²	62.3	10%	0.095	34%	0.34	C	S	.	.			trans	-134	75	174.3	-168.6	19.2	0	0	0	109.7	D77 I79 I94 H119 I121 V134 V143 L160	D77-W96 CarbonylContact O-C 3.55Å; D77-W96 PolarHBondContact O-N 2.76Å; I79-W96 HydrophobicContact CD1-CE3 3.81Å; I79-W96 HydrophobicContact CD1-CZ3 4.29Å; I79-W96 HydrophobicContact CG1-CE3 4.48Å; I94-W96 PolarHBondContact O-N 2.9Å; W96-H119 AromaticContact CD2-CE1 3.74Å; W96-H119 AromaticContact CD2-NE2 3.77Å; W96-H119 AromaticContact CE2-CE1 3.6Å; W96-H119 AromaticContact CE3-NE2 3.64Å; W96-H119 AromaticContact CZ2-CE1 3.82Å; W96-H119 AromaticContact CZ3-NE2 3.82Å; W96-H119 VanDerWaalsContact O-CB 3.27Å; W96-H119 WeakPolarHBondContact O-CB 3.21Å; W96-I121 HydrophobicContact CD2-CD1 4.41Å; W96-I121 HydrophobicContact CE3-CD1 3.4Å; W96-I121 VanDerWaalsContact CE3-CD1 3.4Å; W96-I121 HydrophobicContact CZ3-CD1 3.76Å; W96-V134 HydrophobicContact CZ3-CB 4.02Å; W96-V134 HydrophobicContact CZ3-CG1 3.85Å; W96-V143 HydrophobicContact CZ2-CG2 4.26Å; W96-L160 HydrophobicContact CB-CD2 4.4Å; W96-L160 HydrophobicContact CD2-CD2 3.53Å; W96-L160 HydrophobicContact CE3-CD1 4.39Å; W96-L160 HydrophobicContact CE3-CD2 4.04Å; W96-L160 HydrophobicContact CG-CD2 3.7Å; W96-L160 HydrophobicContact CZ2-CD2 4.14Å; W96-L160 HydrophobicContact CZ3-CD1 4.38Å
97	T	96	Very high	95.1	Very high	80 Å²	80	65.3 Å²	65.3	49%	0.491	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-81.7	154.8	-178.2	52.7	0	0	0	0	111.7	D77	D77-T97 HydrophobicContact CB-CG2 3.73Å
98	A	95.6	Very high	95.2	Very high	8 Å²	8	74.6 Å²	74.6	7%	0.066	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-67.8	142	167.7	0	0	0	0	0	110.8	R103 H119 A139	A98-R103 HydrophobicContact CB-CG 3.83Å; A98-H119 HydrophobicContact CB-CB 4.32Å; A98-A139 HydrophobicContact CB-CB 3.57Å
99	S	94.3	Very high	95.4	Very high	55 Å²	55	73.3 Å²	73.3	39%	0.385	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-59.9	148.9	177.8	71.3	0	0	0	0	111.8	T101 K102 R103	S99-T101 VanDerWaalsContact C-N 3.26Å; S99-T101 PolarHBondContact O-N 2.9Å; S99-K102 PolarHBondContact O-N 3.49Å; S99-K102 WeakPolarHBondContact OG-CG 3.44Å; S99-K102 PolarHBondContact OG-N 3.42Å; S99-R103 WeakPolarHBondContact O-CG 3.02Å; S99-R103 PolarHBondContact O-N 3.25Å
100	P	96	Very high	95.6	Very high	98 Å²	98	70.5 Å²	70.5	64%	0.636	39%	0.387	S	S	*	.	H	α-helix	trans	-52.9	-43.6	179.4	-27.6	35.4	0	0	0	112.9	K102 R103 D104	P100-K102 PolarHBondContact O-N 2.86Å; P100-R103 WeakPolarHBondContact O-CB 3.34Å; P100-R103 PolarHBondContact O-N 3.22Å; P100-R103 VanDerWaalsContact O-N 3.13Å; P100-D104 PolarHBondContact O-N 2.77Å
101	T	96.8	Very high	96.1	Very high	89 Å²	89	67.5 Å²	67.5	55%	0.546	37%	0.369	S	S	.	.	H	α-helix	trans	-57.8	-45.7	176.9	-46	0	0	0	0	112.3	S99 R103 D104 E105	S99-T101 VanDerWaalsContact C-N 3.26Å; S99-T101 PolarHBondContact O-N 2.9Å; T101-R103 VanDerWaalsContact C-N 3.34Å; T101-R103 PolarHBondContact O-N 2.86Å; T101-D104 PolarHBondContact O-N 3.33Å; T101-E105 WeakPolarHBondContact O-CG 2.99Å; T101-E105 PolarHBondContact O-N 3.32Å
102	K	96.2	Very high	96.3	Very high	53 Å²	53	67.1 Å²	67.1	23%	0.23	37%	0.37	C	S	.	.	H	α-helix	trans	-67.9	-33.1	177.5	-68.6	-51.4	-178.2	-159	0	113	S99 P100 E105 C106 H141	S99-K102 PolarHBondContact O-N 3.49Å; S99-K102 WeakPolarHBondContact OG-CG 3.44Å; S99-K102 PolarHBondContact OG-N 3.42Å; P100-K102 PolarHBondContact O-N 2.86Å; K102-E105 VanDerWaalsContact CD-OE2 3.24Å; K102-E105 WeakPolarHBondContact CD-OE2 3.35Å; K102-E105 IonicContact NZ-OE1 3.15Å; K102-E105 PolarHBondContact NZ-OE1 2.94Å; K102-E105 IonicContact NZ-OE2 3.83Å; K102-E105 PolarHBondContact NZ-OE2 2.8Å; K102-C106 VanDerWaalsContact O-CB 3.27Å; K102-C106 WeakPolarHBondContact O-CB 3.22Å; K102-C106 PolarHBondContact O-N 3.28Å; K102-H141 HydrophobicContact CD-CB 4.21Å; K102-H141 HydrophobicContact CG-CB 4.5Å
103	R	96.9	Very high	96.2	Very high	80 Å²	80	68.5 Å²	68.5	30%	0.302	37%	0.373	S	S	.	.	H	α-helix	trans	-67.5	-39	174.4	-63.9	-178.3	72.9	-176.7	-1	111.7	A98 S99 P100 T101 K107 L113 C117 A139	A98-R103 HydrophobicContact CB-CG 3.83Å; S99-R103 WeakPolarHBondContact O-CG 3.02Å; S99-R103 PolarHBondContact O-N 3.25Å; P100-R103 WeakPolarHBondContact O-CB 3.34Å; P100-R103 PolarHBondContact O-N 3.22Å; P100-R103 VanDerWaalsContact O-N 3.13Å; T101-R103 VanDerWaalsContact C-N 3.34Å; T101-R103 PolarHBondContact O-N 2.86Å; R103-K107 WeakPolarHBondContact O-CB 3.17Å; R103-K107 PolarHBondContact O-N 2.89Å; R103-L113 HydrophobicContact CB-CD1 4.39Å; R103-C117 PolarHBondContact NE-O 3.42Å; R103-A139 HydrophobicContact CG-CB 4.29Å
104	D	97.2	Very high	95.9	Very high	67 Å²	67	70.6 Å²	70.6	36%	0.358	39%	0.387	S	S	.	.	H	α-helix	trans	-68.2	-44.3	175.1	-73.5	-29.9	0	0	0	111.8	P100 T101 C106 K107 W108	P100-D104 PolarHBondContact O-N 2.77Å; T101-D104 PolarHBondContact O-N 3.33Å; D104-C106 VanDerWaalsContact C-N 3.34Å; D104-C106 PolarHBondContact O-N 2.77Å; D104-K107 WeakPolarHBondContact O-CB 3.22Å; D104-K107 PolarHBondContact O-N 2.86Å; D104-K107 VanDerWaalsContact O-N 3.16Å; D104-W108 HydrophobicContact CB-CH2 4.27Å; D104-W108 HydrophobicContact CB-CZ2 4.02Å; D104-W108 PolarHBondContact O-N 2.77Å
105	E	97.4	Very high	95.6	Very high	77 Å²	77	78.8 Å²	78.8	36%	0.36	42%	0.416	S	S	.	.	H	α-helix	trans	-56.1	-47.3	172.6	-73.8	173.9	-153.6	0	0	111.5	T101 K102 K107 W108 A109	T101-E105 WeakPolarHBondContact O-CG 2.99Å; T101-E105 PolarHBondContact O-N 3.32Å; K102-E105 VanDerWaalsContact CD-OE2 3.24Å; K102-E105 WeakPolarHBondContact CD-OE2 3.35Å; K102-E105 IonicContact NZ-OE1 3.15Å; K102-E105 PolarHBondContact NZ-OE1 2.94Å; K102-E105 IonicContact NZ-OE2 3.83Å; K102-E105 PolarHBondContact NZ-OE2 2.8Å; E105-K107 VanDerWaalsContact C-N 3.33Å; E105-K107 PolarHBondContact O-N 3.23Å; E105-W108 HydrophobicContact CG-CZ3 4.47Å; E105-W108 PolarHBondContact O-N 3.2Å; E105-A109 PolarHBondContact O-N 2.79Å
106	C	97.5	Very high	95.5	Very high	3 Å²	3	76 Å²	76	2%	0.02	40%	0.396	C	S	.	.	H	α-helix	trans	-59.6	-41.8	176.5	174.2	0	0	0	0	112.3	K102 D104 A109 K111 C117 A139	K102-C106 VanDerWaalsContact O-CB 3.27Å; K102-C106 WeakPolarHBondContact O-CB 3.22Å; K102-C106 PolarHBondContact O-N 3.28Å; D104-C106 VanDerWaalsContact C-N 3.34Å; D104-C106 PolarHBondContact O-N 2.77Å; C106-A109 PolarHBondContact O-N 3.23Å; C106-K111 WeakPolarHBondContact O-CB 3.36Å; C106-K111 PolarHBondContact O-N 2.97Å; C106-K111 VanDerWaalsContact SG-CB 3.58Å; C106-C117 VanDerWaalsContact C-SG 3.52Å; C106-C117 HydrophobicContact CB-CB 3.73Å; C106-C117 WeakPolarHBondContact CB-SG 3.08Å; C106-C117 WeakPolarHBondContact SG-CA 3.41Å; C106-C117 WeakPolarHBondContact SG-CB 3.4Å; C106-C117 CovalentContact SG-SG 2.05Å; C106-C117 PolarHBondContact SG-SG 3.47Å; C106-A139 HydrophobicContact CB-CB 4.24Å
107	K	97.2	Very high	95.6	Very high	109 Å²	109	74.9 Å²	74.9	47%	0.474	39%	0.391	S	S	.	.	H	α-helix	trans	-65.3	-43.6	176.2	-178.6	-169.6	179.8	-172.8	0	111.7	R103 D104 E105 A109 G110 L113	R103-K107 WeakPolarHBondContact O-CB 3.17Å; R103-K107 PolarHBondContact O-N 2.89Å; D104-K107 WeakPolarHBondContact O-CB 3.22Å; D104-K107 PolarHBondContact O-N 2.86Å; D104-K107 VanDerWaalsContact O-N 3.16Å; E105-K107 VanDerWaalsContact C-N 3.33Å; E105-K107 PolarHBondContact O-N 3.23Å; K107-A109 PolarHBondContact O-N 3.17Å; K107-G110 PolarHBondContact O-N 2.81Å; K107-L113 HydrophobicContact CB-CD1 4.43Å; K107-L113 HydrophobicContact CD-CD2 4.42Å
108	W	96.9	Very high	95.6	Very high	197 Å²	197	71.1 Å²	71.1	75%	0.746	37%	0.368	S	S	*	.	H	α-helix	trans	-64.3	-29.5	176.5	-61.3	-26.7	0	0	0	112.1	D104 E105 G110	D104-W108 HydrophobicContact CB-CH2 4.27Å; D104-W108 HydrophobicContact CB-CZ2 4.02Å; D104-W108 PolarHBondContact O-N 2.77Å; E105-W108 HydrophobicContact CG-CZ3 4.47Å; E105-W108 PolarHBondContact O-N 3.2Å; W108-G110 PolarHBondContact O-N 2.88Å
109	A	96.1	Very high	95.7	Very high	52 Å²	52	70.8 Å²	70.8	43%	0.43	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	6.8	170.5	0	0	0	0	0	114.1	E105 C106 K107 F196	E105-A109 PolarHBondContact O-N 2.79Å; C106-A109 PolarHBondContact O-N 3.23Å; K107-A109 PolarHBondContact O-N 3.17Å; A109-F196 HydrophobicContact CB-CE1 4.33Å; A109-F196 HydrophobicContact CB-CE2 4.19Å; A109-F196 HydrophobicContact CB-CZ 3.55Å
110	G	96.2	Very high	95.9	Very high	68 Å²	68	69.1 Å²	69.1	70%	0.701	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	10.9	172.3	0	0	0	0	0	115.3	K107 W108	K107-G110 PolarHBondContact O-N 2.81Å; W108-G110 PolarHBondContact O-N 2.88Å
111	K	96.9	Very high	96	Very high	52 Å²	52	64.7 Å²	64.7	23%	0.226	32%	0.322	C	S	.	.			trans	-84.3	157.4	178.9	-60.1	-66.1	-175.5	165.6	0	112	C106 L113 E116 F140 D174 F196	C106-K111 WeakPolarHBondContact O-CB 3.36Å; C106-K111 PolarHBondContact O-N 2.97Å; C106-K111 VanDerWaalsContact SG-CB 3.58Å; K111-L113 PolarHBondContact O-N 2.95Å; K111-E116 HydrophobicContact CB-CB 4.3Å; K111-F140 HydrophobicContact CB-CE2 4.36Å; K111-F140 HydrophobicContact CD-CE1 3.91Å; K111-F140 HydrophobicContact CD-CE2 4.08Å; K111-F140 HydrophobicContact CD-CZ 3.63Å; K111-F140 HydrophobicContact CG-CD2 4.22Å; K111-F140 HydrophobicContact CG-CE1 4.31Å; K111-F140 HydrophobicContact CG-CE2 4Å; K111-F140 HydrophobicContact CG-CZ 4.03Å; K111-D174 IonicContact NZ-OD2 2.69Å; K111-F196 HydrophobicContact CG-CZ 4.21Å
112	N	95.4	Very high	96	Very high	73 Å²	73	62 Å²	62	39%	0.39	30%	0.303	S	S	.	.			trans	-73.4	119.7	-179.2	-172.1	-71	0	0	0	112	L114 R115 E116 C117	N112-L114 VanDerWaalsContact C-N 3.29Å; N112-L114 PolarHBondContact O-N 2.85Å; N112-L114 PolarHBondContact OD1-N 3.32Å; N112-R115 HydrophobicContact CB-CB 4.23Å; N112-R115 PolarHBondContact O-N 2.93Å; N112-R115 PolarHBondContact OD1-N 2.76Å; N112-E116 HydrophobicContact CB-CB 4.26Å; N112-E116 HydrophobicContact CB-CG 4.17Å; N112-E116 WeakPolarHBondContact CB-OE2 3.42Å; N112-E116 PolarHBondContact N-OE2 2.85Å; N112-E116 WeakPolarHBondContact O-CA 3.48Å; N112-E116 WeakPolarHBondContact O-CB 3.36Å; N112-E116 PolarHBondContact O-N 3.04Å; N112-C117 PolarHBondContact O-N 3.19Å
113	L	92.9	Very high	96.1	Very high	62 Å²	62	59.5 Å²	59.5	33%	0.325	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-33.1	-175.8	-174.6	63.1	0	0	0	114.5	R103 K107 K111 C117	R103-L113 HydrophobicContact CB-CD1 4.39Å; K107-L113 HydrophobicContact CB-CD1 4.43Å; K107-L113 HydrophobicContact CD-CD2 4.42Å; K111-L113 PolarHBondContact O-N 2.95Å; L113-C117 HydrophobicContact CD1-CB 4.19Å
114	L	89.3	Confident	96.2	Very high	129 Å²	129	55.9 Å²	55.9	68%	0.675	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-36.7	-175.6	-66.8	173.7	0	0	0	112.6	K76 N112	K76-L114 PolarHBondContact NZ-O 3.4Å; N112-L114 VanDerWaalsContact C-N 3.29Å; N112-L114 PolarHBondContact O-N 2.85Å; N112-L114 PolarHBondContact OD1-N 3.32Å
115	R	90.4	Very high	96.2	Very high	192 Å²	192	53.6 Å²	53.6	73%	0.725	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-29.1	-172.7	-61.7	-177.2	71.8	179.1	3.7	113.9	N112 F120	N112-R115 HydrophobicContact CB-CB 4.23Å; N112-R115 PolarHBondContact O-N 2.93Å; N112-R115 PolarHBondContact OD1-N 2.76Å; R115-F120 VanDerWaalsContact O-CZ 3.26Å; R115-F120 WeakPolarHBondContact O-CZ 3.42Å
116	E	94.8	Very high	96.1	Very high	28 Å²	28	52.7 Å²	52.7	13%	0.131	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.3	-39.6	-166.8	-69.7	178.5	145.8	0	0	112.2	K111 N112 A118 F140 K176	K111-E116 HydrophobicContact CB-CB 4.3Å; N112-E116 HydrophobicContact CB-CB 4.26Å; N112-E116 HydrophobicContact CB-CG 4.17Å; N112-E116 WeakPolarHBondContact CB-OE2 3.42Å; N112-E116 PolarHBondContact N-OE2 2.85Å; N112-E116 WeakPolarHBondContact O-CA 3.48Å; N112-E116 WeakPolarHBondContact O-CB 3.36Å; N112-E116 PolarHBondContact O-N 3.04Å; E116-A118 PolarHBondContact O-N 2.89Å; E116-F140 HydrophobicContact CB-CE2 3.91Å; E116-F140 HydrophobicContact CB-CZ 4.5Å; E116-K176 WeakPolarHBondContact OE1-CE 3.47Å; E116-K176 IonicContact OE1-NZ 3.82Å; E116-K176 PolarHBondContact OE1-NZ 2.65Å
117	C	96.9	Very high	95.9	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.281	C	S	.	.	S	Bend	trans	-84.2	53.1	-179.6	-56.5	0	0	0	0	113.5	R103 C106 N112 L113 A139	R103-C117 PolarHBondContact NE-O 3.42Å; C106-C117 VanDerWaalsContact C-SG 3.52Å; C106-C117 HydrophobicContact CB-CB 3.73Å; C106-C117 WeakPolarHBondContact CB-SG 3.08Å; C106-C117 WeakPolarHBondContact SG-CA 3.41Å; C106-C117 WeakPolarHBondContact SG-CB 3.4Å; C106-C117 CovalentContact SG-SG 2.05Å; C106-C117 PolarHBondContact SG-SG 3.47Å; N112-C117 PolarHBondContact O-N 3.19Å; L113-C117 HydrophobicContact CD1-CB 4.19Å; C117-A139 HydrophobicContact CB-CB 4.32Å
118	A	96.8	Very high	95.7	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.008	28%	0.277	C	S	.	.	S	Bend	trans	-128	171.8	173	0	0	0	0	0	110	K76 E116 F120 T137 A139	K76-A118 HydrophobicContact CD-CB 4.18Å; K76-A118 HydrophobicContact CG-CB 3.81Å; E116-A118 PolarHBondContact O-N 2.89Å; A118-F120 HydrophobicContact CB-CD2 4.27Å; A118-F120 HydrophobicContact CB-CE2 3.72Å; A118-F120 HydrophobicContact CB-CZ 4.27Å; A118-T137 PolarHBondContact O-OG1 3.29Å; A118-T137 VanDerWaalsContact O-OG1 3.14Å; A118-A139 WeakPolarHBondContact O-CA 3.29Å; A118-A139 PolarHBondContact O-N 3.45Å
119	H	97.6	Very high	95.4	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.009	27%	0.272	C	S	.	.			trans	-93.5	104.9	176.2	-169.9	120.5	0	0	0	109.6	D77 W96 A98 I121 G136 G138 V143	D77-H119 WeakPolarHBondContact CA-O 3.46Å; D77-H119 PolarHBondContact N-O 2.84Å; D77-H119 PolarHBondContact OD1-N 3.3Å; W96-H119 AromaticContact CD2-CE1 3.74Å; W96-H119 AromaticContact CD2-NE2 3.77Å; W96-H119 AromaticContact CE2-CE1 3.6Å; W96-H119 AromaticContact CE3-NE2 3.64Å; W96-H119 AromaticContact CZ2-CE1 3.82Å; W96-H119 AromaticContact CZ3-NE2 3.82Å; W96-H119 VanDerWaalsContact O-CB 3.27Å; W96-H119 WeakPolarHBondContact O-CB 3.21Å; A98-H119 HydrophobicContact CB-CB 4.32Å; H119-I121 WeakPolarHBondContact NE2-CD1 3.29Å; H119-G136 WeakPolarHBondContact NE2-CA 3.31Å; H119-G138 WeakPolarHBondContact ND1-CA 3.27Å; H119-V143 WeakPolarHBondContact CE1-CG2 3.26Å
120	F	98	Very high	95.2	Very high	20 Å²	20	50.2 Å²	50.2	9%	0.088	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-97.2	121.5	176.5	-66	-99.6	0	0	0	109.2	K76 R115 A118 K122 G136 T137 P175	K76-F120 HydrophobicContact CB-CD1 3.86Å; K76-F120 HydrophobicContact CB-CE1 3.71Å; K76-F120 HydrophobicContact CB-CZ 4.34Å; K76-F120 HydrophobicContact CD-CE1 3.92Å; K76-F120 HydrophobicContact CD-CZ 3.84Å; K76-F120 HydrophobicContact CG-CD1 4.15Å; K76-F120 HydrophobicContact CG-CE1 3.72Å; K76-F120 HydrophobicContact CG-CE2 4.33Å; K76-F120 HydrophobicContact CG-CZ 3.83Å; R115-F120 VanDerWaalsContact O-CZ 3.26Å; R115-F120 WeakPolarHBondContact O-CZ 3.42Å; A118-F120 HydrophobicContact CB-CD2 4.27Å; A118-F120 HydrophobicContact CB-CE2 3.72Å; A118-F120 HydrophobicContact CB-CZ 4.27Å; F120-K122 PolarHBondContact O-N 3.38Å; F120-G136 CarbonylContact O-C 3.52Å; F120-G136 WeakPolarHBondContact O-CA 3.14Å; F120-T137 HydrophobicContact CB-CG2 3.96Å; F120-T137 PolarHBondContact N-OG1 2.82Å; F120-T137 PolarHBondContact O-N 2.86Å; F120-P175 HydrophobicContact CB-CB 4.14Å; F120-P175 HydrophobicContact CD1-CB 4.19Å; F120-P175 HydrophobicContact CD2-CB 3.4Å; F120-P175 VanDerWaalsContact CD2-CB 3.4Å; F120-P175 HydrophobicContact CD2-CG 3.99Å; F120-P175 HydrophobicContact CE1-CB 4.46Å; F120-P175 HydrophobicContact CE2-CB 3.72Å; F120-P175 HydrophobicContact CE2-CG 3.88Å; F120-P175 HydrophobicContact CG-CB 3.65Å; F120-P175 HydrophobicContact CZ-CB 4.25Å; F120-P175 HydrophobicContact CZ-CG 4.49Å
121	I	98.4	Very high	95.1	Very high	4 Å²	4	49 Å²	49	2%	0.021	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	128.5	175	-53	-62	0	0	0	109.1	T61 A75 I79 W96 H119 V134	T61-I121 PolarHBondContact OG1-O 3.42Å; A75-I121 WeakPolarHBondContact O-CG1 3.24Å; A75-I121 PolarHBondContact O-N 2.96Å; A75-I121 VanDerWaalsContact O-N 3.16Å; I79-I121 HydrophobicContact CD1-CD1 4.4Å; I79-I121 HydrophobicContact CG1-CD1 3.98Å; I79-I121 HydrophobicContact CG1-CG1 3.98Å; W96-I121 HydrophobicContact CD2-CD1 4.41Å; W96-I121 HydrophobicContact CE3-CD1 3.4Å; W96-I121 VanDerWaalsContact CE3-CD1 3.4Å; W96-I121 HydrophobicContact CZ3-CD1 3.76Å; H119-I121 WeakPolarHBondContact NE2-CD1 3.29Å; I121-V134 HydrophobicContact CD1-CG1 4.3Å; I121-V134 HydrophobicContact CG2-CG1 3.71Å
122	K	97.6	Very high	95.1	Very high	32 Å²	32	47 Å²	47	14%	0.139	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	-19.6	-173.9	-65.1	-60.6	-170.2	174.5	0	113.7	F120 C135 T137 P172 P175	F120-K122 PolarHBondContact O-N 3.38Å; K122-C135 PolarHBondContact N-O 3.45Å; K122-T137 HydrophobicContact CG-CG2 4.02Å; K122-P172 HydrophobicContact CG-CG 4.07Å; K122-P175 WeakPolarHBondContact CE-O 3.41Å; K122-P175 PolarHBondContact NZ-O 3.1Å
123	V	98.1	Very high	95.2	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	130.8	-179.7	178.4	0	0	0	0	108.3	Q125 V134 C135 K170 T179	V123-Q125 HydrophobicContact CG1-CG 3.85Å; V123-V134 VanDerWaalsContact O-CA 3.31Å; V123-V134 WeakPolarHBondContact O-CA 3.41Å; V123-V134 WeakPolarHBondContact O-CG1 3.45Å; V123-C135 HydrophobicContact CB-CB 3.86Å; V123-C135 HydrophobicContact CG2-CB 4.15Å; V123-C135 PolarHBondContact N-O 2.96Å; V123-C135 VanDerWaalsContact N-O 3.12Å; V123-C135 PolarHBondContact O-N 3.46Å; V123-K170 VanDerWaalsContact CG2-O 3.26Å; V123-K170 WeakPolarHBondContact CG2-O 3.36Å; V123-T179 HydrophobicContact CG2-CG2 4.03Å
124	L	97.6	Very high	95.5	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.021	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	107.4	175	-170	75.2	0	0	0	106.9	T61 L63 L72 Y133 V134	T61-L124 HydrophobicContact CG2-CB 3.54Å; L63-L124 HydrophobicContact CB-CD2 3.37Å; L63-L124 HydrophobicContact CB-CG 3.9Å; L63-L124 HydrophobicContact CD2-CD2 4.3Å; L63-L124 HydrophobicContact CD2-CG 4Å; L63-L124 HydrophobicContact CG-CD2 4.48Å; L72-L124 HydrophobicContact CB-CD2 3.63Å; L124-Y133 WeakPolarHBondContact CA-O 3.31Å; L124-V134 HydrophobicContact CD1-CB 4.42Å; L124-V134 HydrophobicContact CD1-CG1 3.93Å; L124-V134 HydrophobicContact CD1-CG2 3.76Å
125	Q	97.3	Very high	95.9	Very high	19 Å²	19	34.5 Å²	34.5	9%	0.089	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	142	-172.1	-65	-68.7	-30.9	0	0	111.2	V123 F127 F132 Y133 S181 L183 L188	V123-Q125 HydrophobicContact CG1-CG 3.85Å; Q125-F127 PolarHBondContact O-N 2.83Å; Q125-F132 CarbonylContact O-C 3.5Å; Q125-F132 VanDerWaalsContact O-CA 3.31Å; Q125-F132 WeakPolarHBondContact O-CA 3.49Å; Q125-Y133 PolarHBondContact N-O 3.47Å; Q125-Y133 PolarHBondContact O-N 2.9Å; Q125-S181 PolarHBondContact NE2-O 3.47Å; Q125-S181 PolarHBondContact NE2-OG 3.25Å; Q125-L183 HydrophobicContact CB-CB 3.96Å; Q125-L183 HydrophobicContact CG-CB 4.49Å; Q125-L188 HydrophobicContact CG-CD1 4.16Å
126	P	95.8	Very high	96.2	Very high	58 Å²	58	25.3 Å²	25.3	38%	0.377	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	121.3	170.1	27	-32.2	0	0	0	109.6	F132 L183	P126-F132 HydrophobicContact CB-CD1 4.25Å; P126-F132 HydrophobicContact CB-CE1 4.09Å; P126-L183 WeakPolarHBondContact O-CD2 3.42Å
127	F	94.4	Very high	96.4	Very high	71 Å²	71	24 Å²	24	31%	0.311	12%	0.121	S	C	.	.			trans	-97.6	-49.1	177.4	-177.6	-101.9	0	0	0	111.5	Q125 H131 Y146 L183	Q125-F127 PolarHBondContact O-N 2.83Å; F127-H131 WeakPolarHBondContact CA-O 3.27Å; F127-H131 WeakPolarHBondContact CB-O 3.46Å; F127-H131 HydrophobicContact CD1-CB 4.32Å; F127-H131 PolarHBondContact N-O 2.91Å; F127-Y146 AromaticContact CD1-CD1 3.95Å; F127-Y146 HydrophobicContact CD1-CD1 3.95Å; F127-Y146 AromaticContact CD1-CE1 3.84Å; F127-Y146 HydrophobicContact CD1-CE1 3.84Å; F127-Y146 HydrophobicContact CD2-CD1 4.47Å; F127-Y146 AromaticContact CD2-CE1 3.84Å; F127-Y146 HydrophobicContact CD2-CE1 3.84Å; F127-Y146 HydrophobicContact CE1-CD1 4.21Å; F127-Y146 AromaticContact CE1-CE1 3.74Å; F127-Y146 HydrophobicContact CE1-CE1 3.74Å; F127-Y146 AromaticContact CE2-CE1 3.76Å; F127-Y146 HydrophobicContact CE2-CE1 3.76Å; F127-Y146 HydrophobicContact CG-CD1 4.1Å; F127-Y146 AromaticContact CG-CE1 3.9Å; F127-Y146 HydrophobicContact CG-CE1 3.9Å; F127-Y146 AromaticContact CZ-CE1 3.71Å; F127-Y146 HydrophobicContact CZ-CE1 3.71Å; F127-L183 HydrophobicContact CB-CD2 4.16Å; F127-L183 HydrophobicContact CD2-CD2 3.6Å; F127-L183 HydrophobicContact CE2-CD2 4.44Å; F127-L183 HydrophobicContact CG-CD2 4.27Å
128	N	92.3	Very high	96.4	Very high	74 Å²	74	24.2 Å²	24.2	40%	0.396	12%	0.123	S	C	.	.	S	Bend	trans	-152.9	-170.8	170.3	62.3	38.8	0	0	0	108.8	S130 H131	N128-S130 PolarHBondContact O-N 3.21Å; N128-S130 WeakPolarHBondContact OD1-CA 3.49Å; N128-S130 PolarHBondContact OD1-N 2.77Å; N128-S130 PolarHBondContact OD1-OG 2.77Å; N128-H131 PolarHBondContact N-O 3.33Å; N128-H131 VanDerWaalsContact O-O 3.12Å; N128-H131 WeakPolarHBondContact OD1-CB 3.46Å; N128-H131 PolarHBondContact OD1-N 2.02Å
129	Q	89.8	Confident	96.5	Very high	140 Å²	140	24.3 Å²	24.3	65%	0.654	12%	0.124	S	C	*	.	S	Bend	trans	-61.5	-26.8	-179	-69.2	176.7	-9.8	0	0	114.1	K68	K68-Q129 WeakPolarHBondContact CE-O 3.42Å; K68-Q129 PolarHBondContact NZ-O 3.17Å
130	S	92.7	Very high	96.5	Very high	24 Å²	24	24.7 Å²	24.7	17%	0.168	13%	0.125	C	C	.	.	S	Bend	trans	-111.1	-10.9	-175.1	59.9	0	0	0	0	115.6	N128 V149 G150	N128-S130 PolarHBondContact O-N 3.21Å; N128-S130 WeakPolarHBondContact OD1-CA 3.49Å; N128-S130 PolarHBondContact OD1-N 2.77Å; N128-S130 PolarHBondContact OD1-OG 2.77Å; S130-V149 WeakPolarHBondContact O-CG2 3.38Å; S130-V149 PolarHBondContact O-N 3.34Å; S130-G150 WeakPolarHBondContact CA-O 3.46Å
131	H	94.4	Very high	96.4	Very high	44 Å²	44	27.5 Å²	27.5	20%	0.204	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	142.7	-175.1	-65.2	73.8	0	0	0	111.7	F127 N128 L147 E148	F127-H131 WeakPolarHBondContact CA-O 3.27Å; F127-H131 WeakPolarHBondContact CB-O 3.46Å; F127-H131 HydrophobicContact CD1-CB 4.32Å; F127-H131 PolarHBondContact N-O 2.91Å; N128-H131 PolarHBondContact N-O 3.33Å; N128-H131 VanDerWaalsContact O-O 3.12Å; N128-H131 WeakPolarHBondContact OD1-CB 3.46Å; N128-H131 PolarHBondContact OD1-N 2.02Å; H131-L147 CarbonylContact C-O 3.55Å; H131-L147 VanDerWaalsContact CA-O 3.26Å; H131-L147 WeakPolarHBondContact CA-O 3.32Å; H131-E148 IonicContact NE2-OE2 2.68Å
132	F	96.6	Very high	96.4	Very high	10 Å²	10	27.4 Å²	27.4	4%	0.044	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	146.9	164.1	-63.7	-73.2	0	0	0	110.1	L63 D65 L72 Q125 P126 Y146 L147 V149	L63-F132 HydrophobicContact CD2-CD1 3.36Å; L63-F132 HydrophobicContact CD2-CE1 3.43Å; L63-F132 VanDerWaalsContact CD2-CE1 3.43Å; L63-F132 HydrophobicContact CD2-CG 4.2Å; L63-F132 HydrophobicContact CD2-CZ 4.25Å; D65-F132 HydrophobicContact CB-CZ 4.21Å; D65-F132 WeakPolarHBondContact OD2-CZ 3.36Å; L72-F132 HydrophobicContact CD1-CD1 4.47Å; L72-F132 HydrophobicContact CD1-CD2 3.31Å; L72-F132 HydrophobicContact CD1-CE2 3.33Å; L72-F132 HydrophobicContact CD1-CG 3.93Å; L72-F132 HydrophobicContact CD1-CZ 4.01Å; Q125-F132 CarbonylContact O-C 3.5Å; Q125-F132 VanDerWaalsContact O-CA 3.31Å; Q125-F132 WeakPolarHBondContact O-CA 3.49Å; P126-F132 HydrophobicContact CB-CD1 4.25Å; P126-F132 HydrophobicContact CB-CE1 4.09Å; F132-Y146 CarbonylContact O-C 3.55Å; F132-Y146 WeakPolarHBondContact O-CA 3.39Å; F132-L147 HydrophobicContact CB-CB 4.23Å; F132-L147 HydrophobicContact CD2-CD2 4.41Å; F132-L147 PolarHBondContact N-O 2.85Å; F132-L147 PolarHBondContact O-N 2.79Å; F132-V149 HydrophobicContact CD2-CB 4.25Å; F132-V149 HydrophobicContact CD2-CG1 3.53Å; F132-V149 HydrophobicContact CD2-CG2 3.74Å; F132-V149 HydrophobicContact CE2-CB 4.02Å; F132-V149 HydrophobicContact CE2-CG1 3.63Å; F132-V149 HydrophobicContact CE2-CG2 3.43Å; F132-V149 VanDerWaalsContact CE2-CG2 3.43Å; F132-V149 HydrophobicContact CZ-CG2 4.34Å
133	Y	97.7	Very high	96.4	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	128.1	170.1	-167	-109.5	0	0	0	109.7	L124 Q125 C135 C144 Y146 E165 K170 L188 L207	L124-Y133 WeakPolarHBondContact CA-O 3.31Å; Q125-Y133 PolarHBondContact N-O 3.47Å; Q125-Y133 PolarHBondContact O-N 2.9Å; Y133-C135 WeakPolarHBondContact CE1-SG 3.16Å; Y133-C144 HydrophobicContact CE1-CB 4.05Å; Y133-C144 HydrophobicContact CE2-CB 4.16Å; Y133-C144 WeakPolarHBondContact OH-CB 3.43Å; Y133-C144 PolarHBondContact OH-SG 2.89Å; Y133-Y146 AromaticContact CD2-CD1 3.96Å; Y133-Y146 HydrophobicContact CD2-CD1 3.96Å; Y133-Y146 AromaticContact CD2-CE1 3.6Å; Y133-Y146 HydrophobicContact CD2-CE1 3.6Å; Y133-Y146 AromaticContact CD2-CZ 3.89Å; Y133-Y146 HydrophobicContact CE2-CE1 4.07Å; Y133-Y146 HydrophobicContact CE2-CE2 4.31Å; Y133-Y146 AromaticContact CE2-CZ 3.85Å; Y133-E165 PolarHBondContact OH-OE2 3.43Å; Y133-K170 HydrophobicContact CE1-CD 4.17Å; Y133-K170 VanDerWaalsContact OH-CD 3.3Å; Y133-K170 WeakPolarHBondContact OH-CD 3.23Å; Y133-K170 WeakPolarHBondContact OH-CE 3.37Å; Y133-K170 PolarHBondContact OH-NZ 3.4Å; Y133-L188 HydrophobicContact CD1-CD2 4.24Å; Y133-L188 HydrophobicContact CE1-CD2 3.92Å; Y133-L207 HydrophobicContact CD1-CD1 3.88Å; Y133-L207 HydrophobicContact CD2-CD1 4.02Å; Y133-L207 HydrophobicContact CE1-CD1 3.63Å; Y133-L207 HydrophobicContact CE1-CG 4.47Å; Y133-L207 HydrophobicContact CE2-CD1 3.79Å; Y133-L207 HydrophobicContact CE2-CD2 4.05Å; Y133-L207 HydrophobicContact CG-CD1 4.06Å
134	V	98.3	Very high	96.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	135	-174	-159.9	0	0	0	0	110.6	I79 W96 I121 V123 L124 C144 S145 L147	I79-V134 HydrophobicContact CD1-CG1 3.88Å; I79-V134 HydrophobicContact CD1-CG2 4.48Å; I79-V134 HydrophobicContact CG1-CG1 4.47Å; W96-V134 HydrophobicContact CZ3-CB 4.02Å; W96-V134 HydrophobicContact CZ3-CG1 3.85Å; I121-V134 HydrophobicContact CD1-CG1 4.3Å; I121-V134 HydrophobicContact CG2-CG1 3.71Å; V123-V134 VanDerWaalsContact O-CA 3.31Å; V123-V134 WeakPolarHBondContact O-CA 3.41Å; V123-V134 WeakPolarHBondContact O-CG1 3.45Å; L124-V134 HydrophobicContact CD1-CB 4.42Å; L124-V134 HydrophobicContact CD1-CG1 3.93Å; L124-V134 HydrophobicContact CD1-CG2 3.76Å; V134-C144 CarbonylContact O-C 3.47Å; V134-C144 WeakPolarHBondContact O-CA 3.47Å; V134-C144 WeakPolarHBondContact O-CB 3.21Å; V134-S145 PolarHBondContact N-O 3.09Å; V134-S145 PolarHBondContact O-N 3.33Å; V134-L147 HydrophobicContact CG2-CB 3.59Å; V134-L147 HydrophobicContact CG2-CD2 4.36Å
135	C	98.3	Very high	96.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	154	172.8	-51.4	0	0	0	0	112.2	K122 V123 Y133 V143 C144	K122-C135 PolarHBondContact N-O 3.45Å; V123-C135 HydrophobicContact CB-CB 3.86Å; V123-C135 HydrophobicContact CG2-CB 4.15Å; V123-C135 PolarHBondContact N-O 2.96Å; V123-C135 VanDerWaalsContact N-O 3.12Å; V123-C135 PolarHBondContact O-N 3.46Å; Y133-C135 WeakPolarHBondContact CE1-SG 3.16Å; C135-V143 VanDerWaalsContact CA-O 3.29Å; C135-V143 WeakPolarHBondContact CA-O 3.13Å; C135-C144 HydrophobicContact CB-CB 4Å; C135-C144 WeakPolarHBondContact CB-SG 3.49Å; C135-C144 WeakPolarHBondContact SG-CB 3.32Å; C135-C144 CovalentContact SG-SG 2.03Å; C135-C144 PolarHBondContact SG-SG 3.15Å
136	G	98	Very high	96.4	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	-178.7	173.4	0	0	0	0	0	113.5	H119 F120 G138 P142 V143 S171	H119-G136 WeakPolarHBondContact NE2-CA 3.31Å; F120-G136 CarbonylContact O-C 3.52Å; F120-G136 WeakPolarHBondContact O-CA 3.14Å; G136-G138 VanDerWaalsContact C-N 3.34Å; G136-P142 VanDerWaalsContact O-CA 3.28Å; G136-P142 WeakPolarHBondContact O-CA 3.47Å; G136-V143 PolarHBondContact N-O 2.84Å; G136-V143 PolarHBondContact O-N 2.88Å; G136-S171 WeakPolarHBondContact CA-OG 3.07Å; G136-S171 PolarHBondContact O-OG 3.37Å
137	T	98.1	Very high	96.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.124	C	C	.	.			trans	-75.5	-20.7	-172.4	61.5	0	0	0	0	113.8	A118 F120 K122 A139 F140 H141 P172 P175	A118-T137 PolarHBondContact O-OG1 3.29Å; A118-T137 VanDerWaalsContact O-OG1 3.14Å; F120-T137 HydrophobicContact CB-CG2 3.96Å; F120-T137 PolarHBondContact N-OG1 2.82Å; F120-T137 PolarHBondContact O-N 2.86Å; K122-T137 HydrophobicContact CG-CG2 4.02Å; T137-A139 VanDerWaalsContact C-N 3.25Å; T137-A139 PolarHBondContact O-N 2.82Å; T137-A139 VanDerWaalsContact O-N 3.13Å; T137-F140 PolarHBondContact O-N 3.49Å; T137-F140 VanDerWaalsContact O-N 3.09Å; T137-H141 CarbonylContact O-C 3.45Å; T137-H141 PolarHBondContact O-N 2.97Å; T137-P172 WeakPolarHBondContact CA-O 3.27Å; T137-P172 WeakPolarHBondContact CG2-O 3.06Å; T137-P175 HydrophobicContact CG2-CB 4.19Å
138	G	97.2	Very high	96.5	Very high	5 Å²	5	23.9 Å²	23.9	5%	0.052	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	36.5	178.1	0	0	0	0	0	115.6	H119 G136 H141	H119-G138 WeakPolarHBondContact ND1-CA 3.27Å; G136-G138 VanDerWaalsContact C-N 3.34Å; G138-H141 WeakPolarHBondContact CA-O 3.45Å; G138-H141 PolarHBondContact O-N 3.17Å
139	A	97.6	Very high	96.5	Very high	3 Å²	3	21.1 Å²	21.1	3%	0.025	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	60.1	-171.3	0	0	0	0	0	113	A98 R103 C106 C117 A118 T137 H141	A98-A139 HydrophobicContact CB-CB 3.57Å; R103-A139 HydrophobicContact CG-CB 4.29Å; C106-A139 HydrophobicContact CB-CB 4.24Å; C117-A139 HydrophobicContact CB-CB 4.32Å; A118-A139 WeakPolarHBondContact O-CA 3.29Å; A118-A139 PolarHBondContact O-N 3.45Å; T137-A139 VanDerWaalsContact C-N 3.25Å; T137-A139 PolarHBondContact O-N 2.82Å; T137-A139 VanDerWaalsContact O-N 3.13Å; A139-H141 PolarHBondContact O-N 3.46Å
140	F	97.6	Very high	96.4	Very high	9 Å²	9	14.7 Å²	14.7	4%	0.039	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	31.5	-174.1	-68.3	-107.5	0	0	0	113.1	K111 E116 T137 Y173 D174 F196	K111-F140 HydrophobicContact CB-CE2 4.36Å; K111-F140 HydrophobicContact CD-CE1 3.91Å; K111-F140 HydrophobicContact CD-CE2 4.08Å; K111-F140 HydrophobicContact CD-CZ 3.63Å; K111-F140 HydrophobicContact CG-CD2 4.22Å; K111-F140 HydrophobicContact CG-CE1 4.31Å; K111-F140 HydrophobicContact CG-CE2 4Å; K111-F140 HydrophobicContact CG-CZ 4.03Å; E116-F140 HydrophobicContact CB-CE2 3.91Å; E116-F140 HydrophobicContact CB-CZ 4.5Å; T137-F140 PolarHBondContact O-N 3.49Å; T137-F140 VanDerWaalsContact O-N 3.09Å; F140-Y173 WeakPolarHBondContact CA-O 3.19Å; F140-Y173 WeakPolarHBondContact O-CD1 3.36Å; F140-D174 HydrophobicContact CE1-CB 3.67Å; F140-D174 HydrophobicContact CZ-CB 3.91Å; F140-F196 HydrophobicContact CB-CD2 3.72Å; F140-F196 HydrophobicContact CB-CE2 3.43Å; F140-F196 VanDerWaalsContact CB-CE2 3.43Å; F140-F196 HydrophobicContact CB-CZ 4.48Å; F140-F196 AromaticContact CD1-CD2 3.85Å; F140-F196 HydrophobicContact CD1-CD2 3.85Å; F140-F196 AromaticContact CD1-CE2 3.59Å; F140-F196 HydrophobicContact CD1-CE2 3.59Å; F140-F196 HydrophobicContact CD1-CG 4.48Å; F140-F196 HydrophobicContact CD1-CZ 4.01Å; F140-F196 HydrophobicContact CG-CD2 4.21Å; F140-F196 AromaticContact CG-CE2 3.75Å; F140-F196 HydrophobicContact CG-CE2 3.75Å; F140-F196 HydrophobicContact CG-CZ 4.4Å
141	H	97.5	Very high	96	Very high	79 Å²	79	20.3 Å²	20.3	37%	0.366	10%	0.097	S	C	.	.	S	Bend	trans	-142.5	81.8	170.1	-166.1	80.2	0	0	0	108.6	K102 T137 G138 A139 V143	K102-H141 HydrophobicContact CD-CB 4.21Å; K102-H141 HydrophobicContact CG-CB 4.5Å; T137-H141 CarbonylContact O-C 3.45Å; T137-H141 PolarHBondContact O-N 2.97Å; G138-H141 WeakPolarHBondContact CA-O 3.45Å; G138-H141 PolarHBondContact O-N 3.17Å; A139-H141 PolarHBondContact O-N 3.46Å; H141-V143 PolarHBondContact O-N 2.81Å
142	P	97.8	Very high	95.4	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.013	11%	0.11	C	C	.	.			trans	-58.2	134.1	-171.1	-26.6	35.6	0	0	0	112.4	G136 G167 S171 P172 Y173	G136-P142 VanDerWaalsContact O-CA 3.28Å; G136-P142 WeakPolarHBondContact O-CA 3.47Å; P142-G167 WeakPolarHBondContact O-CA 3.47Å; P142-G167 PolarHBondContact O-N 2.95Å; P142-S171 WeakPolarHBondContact CB-O 3.23Å; P142-S171 WeakPolarHBondContact CG-O 3.5Å; P142-P172 WeakPolarHBondContact CG-O 3.34Å; P142-Y173 VanDerWaalsContact CD-CD1 3.44Å; P142-Y173 VanDerWaalsContact CD-CZ 3.49Å; P142-Y173 HydrophobicContact CG-CD1 4.08Å; P142-Y173 HydrophobicContact CG-CD2 3.52Å; P142-Y173 HydrophobicContact CG-CE1 4.2Å; P142-Y173 HydrophobicContact CG-CE2 3.68Å; P142-Y173 HydrophobicContact CG-CG 3.71Å
143	V	97.9	Very high	94.5	Very high	23 Å²	23	27 Å²	27	14%	0.139	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	153.9	-177.3	-73	0	0	0	0	110.3	W96 H119 C135 G136 H141 V164 E165	W96-V143 HydrophobicContact CZ2-CG2 4.26Å; H119-V143 WeakPolarHBondContact CE1-CG2 3.26Å; C135-V143 VanDerWaalsContact CA-O 3.29Å; C135-V143 WeakPolarHBondContact CA-O 3.13Å; G136-V143 PolarHBondContact N-O 2.84Å; G136-V143 PolarHBondContact O-N 2.88Å; H141-V143 PolarHBondContact O-N 2.81Å; V143-V164 HydrophobicContact CB-CG1 3.59Å; V143-V164 HydrophobicContact CG1-CG1 3.75Å; V143-V164 HydrophobicContact CG2-CG1 4.39Å; V143-E165 WeakPolarHBondContact CA-O 3.34Å
144	C	98.1	Very high	93.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	158.8	178.3	-57.2	0	0	0	0	111.8	Y133 V134 C135 V164 E165 G167	Y133-C144 HydrophobicContact CE1-CB 4.05Å; Y133-C144 HydrophobicContact CE2-CB 4.16Å; Y133-C144 WeakPolarHBondContact OH-CB 3.43Å; Y133-C144 PolarHBondContact OH-SG 2.89Å; V134-C144 CarbonylContact O-C 3.47Å; V134-C144 WeakPolarHBondContact O-CA 3.47Å; V134-C144 WeakPolarHBondContact O-CB 3.21Å; C135-C144 HydrophobicContact CB-CB 4Å; C135-C144 WeakPolarHBondContact CB-SG 3.49Å; C135-C144 WeakPolarHBondContact SG-CB 3.32Å; C135-C144 CovalentContact SG-SG 2.03Å; C135-C144 PolarHBondContact SG-SG 3.15Å; C144-V164 CarbonylContact O-C 3.59Å; C144-V164 WeakPolarHBondContact O-CA 3.4Å; C144-E165 HydrophobicContact CB-CB 4.29Å; C144-E165 PolarHBondContact N-O 2.87Å; C144-E165 PolarHBondContact O-N 2.88Å; C144-G167 VanDerWaalsContact SG-CA 3.54Å
145	S	97.5	Very high	92.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	176.9	173.5	-176.7	0	0	0	0	109.9	V134 A161 H163	V134-S145 PolarHBondContact N-O 3.09Å; V134-S145 PolarHBondContact O-N 3.33Å; S145-A161 PolarHBondContact OG-O 3.36Å; S145-H163 PolarHBondContact OG-O 3.19Å; S145-H163 VanDerWaalsContact OG-O 3.1Å
146	Y	97.1	Very high	92	Very high	47 Å²	47	40.7 Å²	40.7	18%	0.184	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	132.2	175	-58.7	-94.3	0	0	0	109.8	F127 F132 Y133 A161 E165	F127-Y146 AromaticContact CD1-CD1 3.95Å; F127-Y146 HydrophobicContact CD1-CD1 3.95Å; F127-Y146 AromaticContact CD1-CE1 3.84Å; F127-Y146 HydrophobicContact CD1-CE1 3.84Å; F127-Y146 HydrophobicContact CD2-CD1 4.47Å; F127-Y146 AromaticContact CD2-CE1 3.84Å; F127-Y146 HydrophobicContact CD2-CE1 3.84Å; F127-Y146 HydrophobicContact CE1-CD1 4.21Å; F127-Y146 AromaticContact CE1-CE1 3.74Å; F127-Y146 HydrophobicContact CE1-CE1 3.74Å; F127-Y146 AromaticContact CE2-CE1 3.76Å; F127-Y146 HydrophobicContact CE2-CE1 3.76Å; F127-Y146 HydrophobicContact CG-CD1 4.1Å; F127-Y146 AromaticContact CG-CE1 3.9Å; F127-Y146 HydrophobicContact CG-CE1 3.9Å; F127-Y146 AromaticContact CZ-CE1 3.71Å; F127-Y146 HydrophobicContact CZ-CE1 3.71Å; F132-Y146 CarbonylContact O-C 3.55Å; F132-Y146 WeakPolarHBondContact O-CA 3.39Å; Y133-Y146 AromaticContact CD2-CD1 3.96Å; Y133-Y146 HydrophobicContact CD2-CD1 3.96Å; Y133-Y146 AromaticContact CD2-CE1 3.6Å; Y133-Y146 HydrophobicContact CD2-CE1 3.6Å; Y133-Y146 AromaticContact CD2-CZ 3.89Å; Y133-Y146 HydrophobicContact CE2-CE1 4.07Å; Y133-Y146 HydrophobicContact CE2-CE2 4.31Å; Y133-Y146 AromaticContact CE2-CZ 3.85Å; Y146-A161 VanDerWaalsContact O-CB 3.27Å; Y146-A161 WeakPolarHBondContact O-CB 3.14Å; Y146-A161 PolarHBondContact O-N 3.27Å; Y146-E165 VanDerWaalsContact CE2-OE1 3.24Å; Y146-E165 WeakPolarHBondContact CE2-OE1 3.38Å; Y146-E165 PolarHBondContact OH-OE1 2.92Å
147	L	96.7	Very high	91.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	113.6	174	174.9	67.3	0	0	0	108.8	L72 I79 I94 H131 F132 V134 V149 F158 L160	L72-L147 HydrophobicContact CD1-CD2 4Å; I79-L147 HydrophobicContact CG2-CD2 4.08Å; I94-L147 HydrophobicContact CD1-CD1 3.37Å; H131-L147 CarbonylContact C-O 3.55Å; H131-L147 VanDerWaalsContact CA-O 3.26Å; H131-L147 WeakPolarHBondContact CA-O 3.32Å; F132-L147 HydrophobicContact CB-CB 4.23Å; F132-L147 HydrophobicContact CD2-CD2 4.41Å; F132-L147 PolarHBondContact N-O 2.85Å; F132-L147 PolarHBondContact O-N 2.79Å; V134-L147 HydrophobicContact CG2-CB 3.59Å; V134-L147 HydrophobicContact CG2-CD2 4.36Å; L147-V149 HydrophobicContact CD2-CG1 4.37Å; L147-V149 HydrophobicContact CG-CG1 4.13Å; L147-F158 HydrophobicContact CD1-CD2 4.11Å; L147-F158 HydrophobicContact CD1-CE2 3.85Å; L147-F158 HydrophobicContact CD1-CZ 4.39Å; L147-F158 HydrophobicContact CD2-CD2 4.48Å; L147-F158 HydrophobicContact CD2-CE2 3.72Å; L147-F158 HydrophobicContact CD2-CZ 4.44Å; L147-F158 HydrophobicContact CG-CE2 4.17Å; L147-L160 HydrophobicContact CB-CD1 4.47Å
148	E	95.4	Very high	91.5	Very high	42 Å²	42	44.5 Å²	44.5	20%	0.196	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	127.7	178.1	-167	175.8	144.7	0	0	110.6	H131 V157 F158 R159	H131-E148 IonicContact NE2-OE2 2.68Å; E148-V157 HydrophobicContact CB-CG1 4.17Å; E148-V157 HydrophobicContact CG-CG1 3.81Å; E148-F158 WeakPolarHBondContact O-CA 3.21Å; E148-R159 HydrophobicContact CB-CG 4.15Å; E148-R159 PolarHBondContact N-O 3.43Å; E148-R159 PolarHBondContact O-N 2.87Å; E148-R159 IonicContact OE1-CZ 2.75Å; E148-R159 IonicContact OE1-NE 2.84Å; E148-R159 IonicContact OE1-NH2 4Å; E148-R159 PolarHBondContact OE1-NH2 2.76Å; E148-R159 IonicContact OE2-CZ 2.65Å; E148-R159 IonicContact OE2-NE 3.43Å; E148-R159 IonicContact OE2-NH1 2.85Å; E148-R159 PolarHBondContact OE2-NH1 2.96Å; E148-R159 IonicContact OE2-NH2 3.85Å; E148-R159 PolarHBondContact OE2-NH2 2.99Å
149	V	92.5	Very high	91.4	Very high	15 Å²	15	50.2 Å²	50.2	9%	0.091	26%	0.258	C	S	.	.			trans	-124.1	2.3	-176.2	-65.3	0	0	0	0	114.1	K68 S130 F132 L147 V157 F158	K68-V149 HydrophobicContact CD-CG2 4.28Å; S130-V149 WeakPolarHBondContact O-CG2 3.38Å; S130-V149 PolarHBondContact O-N 3.34Å; F132-V149 HydrophobicContact CD2-CB 4.25Å; F132-V149 HydrophobicContact CD2-CG1 3.53Å; F132-V149 HydrophobicContact CD2-CG2 3.74Å; F132-V149 HydrophobicContact CE2-CB 4.02Å; F132-V149 HydrophobicContact CE2-CG1 3.63Å; F132-V149 HydrophobicContact CE2-CG2 3.43Å; F132-V149 VanDerWaalsContact CE2-CG2 3.43Å; F132-V149 HydrophobicContact CZ-CG2 4.34Å; L147-V149 HydrophobicContact CD2-CG1 4.37Å; L147-V149 HydrophobicContact CG-CG1 4.13Å; V149-V157 CarbonylContact C-O 3.39Å; V149-V157 VanDerWaalsContact CA-O 3.24Å; V149-V157 WeakPolarHBondContact CA-O 3.31Å; V149-F158 HydrophobicContact CG1-CD2 4.2Å
150	G	87.3	Confident	91.3	Very high	6 Å²	6	52 Å²	52	6%	0.062	27%	0.267	C	S	.	.			trans	71.2	167.5	-172.7	0	0	0	0	0	112.3	K68 S130	K68-G150 WeakPolarHBondContact CE-O 3.24Å; S130-G150 WeakPolarHBondContact CA-O 3.46Å
151	K	84.5	Confident	91.2	Very high	141 Å²	141	52.4 Å²	52.4	61%	0.613	27%	0.273	S	S	*	.	S	Bend	trans	-82.4	-32.7	177.4	-70.6	-175.4	179.5	-177.7	0	111.1	D155	K151-D155 PolarHBondContact N-OD2 3.5Å
152	K	82.9	Confident	90.8	Very high	111 Å²	111	54.9 Å²	54.9	48%	0.483	30%	0.296	S	S	.	.	S	Bend	trans	-122	156.2	-175	-64	-173	-179	177.5	0	111.3	E154 D155	K152-E154 HydrophobicContact CB-CG 3.81Å; K152-E154 VanDerWaalsContact CD-CD 3.45Å; K152-E154 HydrophobicContact CD-CG 4.08Å; K152-E154 WeakPolarHBondContact CD-OE1 3.49Å; K152-E154 IonicContact NZ-OE1 3.74Å; K152-E154 PolarHBondContact NZ-OE1 3.24Å; K152-E154 PolarHBondContact O-N 2.87Å; K152-D155 PolarHBondContact N-OD2 3.19Å; K152-D155 WeakPolarHBondContact O-CB 3.45Å; K152-D155 PolarHBondContact O-N 2.99Å
153	P	77.5	Confident	90.5	Very high	84 Å²	84	60.7 Å²	60.7	55%	0.545	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-56.6	-37.9	175.3	-17.4	25.8	0	0	0	112.9	D155 G156	P153-D155 PolarHBondContact O-N 3.24Å; P153-G156 PolarHBondContact O-N 3.28Å
154	E	80.3	Confident	90.3	Very high	141 Å²	141	63 Å²	63	66%	0.659	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-65.5	-19.6	-178.9	61.8	-134.2	-150.6	0	0	114.5	K152 G156	K152-E154 HydrophobicContact CB-CG 3.81Å; K152-E154 VanDerWaalsContact CD-CD 3.45Å; K152-E154 HydrophobicContact CD-CG 4.08Å; K152-E154 WeakPolarHBondContact CD-OE1 3.49Å; K152-E154 IonicContact NZ-OE1 3.74Å; K152-E154 PolarHBondContact NZ-OE1 3.24Å; K152-E154 PolarHBondContact O-N 2.87Å; E154-G156 PolarHBondContact O-N 2.81Å
155	D	80.4	Confident	90.2	Very high	78 Å²	78	64.9 Å²	64.9	42%	0.417	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-65.7	-25	178.8	-62.7	-23.1	0	0	0	111.2	K151 K152 P153 V157	K151-D155 PolarHBondContact N-OD2 3.5Å; K152-D155 PolarHBondContact N-OD2 3.19Å; K152-D155 WeakPolarHBondContact O-CB 3.45Å; K152-D155 PolarHBondContact O-N 2.99Å; P153-D155 PolarHBondContact O-N 3.24Å; D155-V157 HydrophobicContact CB-CG2 4.08Å; D155-V157 WeakPolarHBondContact O-CG2 3.08Å; D155-V157 PolarHBondContact O-N 2.86Å
156	G	80.9	Confident	90.1	Very high	68 Å²	68	69.7 Å²	69.7	70%	0.701	37%	0.371	S	S	*	.			trans	61	16.8	176	0	0	0	0	0	114.5	P153 E154	P153-G156 PolarHBondContact O-N 3.28Å; E154-G156 PolarHBondContact O-N 2.81Å
157	V	90.3	Very high	90.1	Very high	40 Å²	40	67.5 Å²	67.5	24%	0.242	36%	0.362	C	S	.	.			trans	-83	129.8	-176	-174.8	0	0	0	0	109.5	E148 V149 D155 R159	E148-V157 HydrophobicContact CB-CG1 4.17Å; E148-V157 HydrophobicContact CG-CG1 3.81Å; V149-V157 CarbonylContact C-O 3.39Å; V149-V157 VanDerWaalsContact CA-O 3.24Å; V149-V157 WeakPolarHBondContact CA-O 3.31Å; D155-V157 HydrophobicContact CB-CG2 4.08Å; D155-V157 WeakPolarHBondContact O-CG2 3.08Å; D155-V157 PolarHBondContact O-N 2.86Å; V157-R159 HydrophobicContact CG1-CG 3.87Å
158	F	94.6	Very high	90.1	Very high	41 Å²	41	73.7 Å²	73.7	18%	0.18	39%	0.386	C	S	.	.			trans	-151.2	88.6	169.5	-173.4	-118	0	0	0	108.3	L72 I79 A92 I94 L147 E148 V149	L72-F158 HydrophobicContact CD2-CE2 3.65Å; L72-F158 HydrophobicContact CD2-CZ 4.27Å; I79-F158 HydrophobicContact CG2-CZ 4.13Å; A92-F158 HydrophobicContact CB-CD1 3.62Å; A92-F158 HydrophobicContact CB-CE1 4.05Å; A92-F158 HydrophobicContact CB-CG 4.36Å; I94-F158 HydrophobicContact CB-CE1 4.41Å; I94-F158 HydrophobicContact CD1-CD1 3.62Å; I94-F158 HydrophobicContact CD1-CD2 4.29Å; I94-F158 HydrophobicContact CD1-CE1 3.52Å; I94-F158 HydrophobicContact CD1-CE2 4.18Å; I94-F158 HydrophobicContact CD1-CG 4.02Å; I94-F158 HydrophobicContact CD1-CZ 3.8Å; I94-F158 HydrophobicContact CG1-CD1 3.75Å; I94-F158 HydrophobicContact CG1-CE1 3.57Å; I94-F158 HydrophobicContact CG1-CZ 4.27Å; L147-F158 HydrophobicContact CD1-CD2 4.11Å; L147-F158 HydrophobicContact CD1-CE2 3.85Å; L147-F158 HydrophobicContact CD1-CZ 4.39Å; L147-F158 HydrophobicContact CD2-CD2 4.48Å; L147-F158 HydrophobicContact CD2-CE2 3.72Å; L147-F158 HydrophobicContact CD2-CZ 4.44Å; L147-F158 HydrophobicContact CG-CE2 4.17Å; E148-F158 WeakPolarHBondContact O-CA 3.21Å; V149-F158 HydrophobicContact CG1-CD2 4.2Å
159	R	95.2	Very high	90.1	Very high	125 Å²	125	71.8 Å²	71.8	47%	0.472	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	143.8	-175.8	61.8	180	175.2	71.6	-2.2	112.5	E148 V157	E148-R159 HydrophobicContact CB-CG 4.15Å; E148-R159 PolarHBondContact N-O 3.43Å; E148-R159 PolarHBondContact O-N 2.87Å; E148-R159 IonicContact OE1-CZ 2.75Å; E148-R159 IonicContact OE1-NE 2.84Å; E148-R159 IonicContact OE1-NH2 4Å; E148-R159 PolarHBondContact OE1-NH2 2.76Å; E148-R159 IonicContact OE2-CZ 2.65Å; E148-R159 IonicContact OE2-NE 3.43Å; E148-R159 IonicContact OE2-NH1 2.85Å; E148-R159 PolarHBondContact OE2-NH1 2.96Å; E148-R159 IonicContact OE2-NH2 3.85Å; E148-R159 PolarHBondContact OE2-NH2 2.99Å; V157-R159 HydrophobicContact CG1-CG 3.87Å
160	L	95.8	Very high	90.3	Very high	39 Å²	39	72 Å²	72	20%	0.204	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	138.1	176.2	-164.6	71.2	0	0	0	110.3	I79 I94 W96 L147	I79-L160 HydrophobicContact CD1-CD1 4.2Å; I94-L160 HydrophobicContact CG2-CB 4.23Å; W96-L160 HydrophobicContact CB-CD2 4.4Å; W96-L160 HydrophobicContact CD2-CD2 3.53Å; W96-L160 HydrophobicContact CE3-CD1 4.39Å; W96-L160 HydrophobicContact CE3-CD2 4.04Å; W96-L160 HydrophobicContact CG-CD2 3.7Å; W96-L160 HydrophobicContact CZ2-CD2 4.14Å; W96-L160 HydrophobicContact CZ3-CD1 4.38Å; L147-L160 HydrophobicContact CB-CD1 4.47Å
161	A	94.7	Very high	90.8	Very high	19 Å²	19	71.7 Å²	71.7	16%	0.157	37%	0.374	C	S	.	.			trans	-65.9	141.5	173.3	0	0	0	0	0	110.5	S145 Y146 H163	S145-A161 PolarHBondContact OG-O 3.36Å; Y146-A161 VanDerWaalsContact O-CB 3.27Å; Y146-A161 WeakPolarHBondContact O-CB 3.14Å; Y146-A161 PolarHBondContact O-N 3.27Å; A161-H163 PolarHBondContact O-N 3.22Å
162	P	90	Very high	91.5	Very high	131 Å²	131	65 Å²	65	85%	0.851	35%	0.345	S	S	*	.	S	Bend	trans	-71.1	-22	-177.4	28.8	-35.2	0	0	0	112.8
163	H	90.9	Very high	92.2	Very high	124 Å²	124	61.2 Å²	61.2	57%	0.574	33%	0.327	S	S	*	.			trans	-76.3	126.6	178.4	-173.9	67.6	0	0	0	110.5	S145 A161	S145-H163 PolarHBondContact OG-O 3.19Å; S145-H163 VanDerWaalsContact OG-O 3.1Å; A161-H163 PolarHBondContact O-N 3.22Å
164	V	93.9	Very high	93.1	Very high	72 Å²	72	58.3 Å²	58.3	44%	0.436	31%	0.308	S	S	.	.			trans	-112.9	126	178.7	-179.5	0	0	0	0	109.2	V143 C144	V143-V164 HydrophobicContact CB-CG1 3.59Å; V143-V164 HydrophobicContact CG1-CG1 3.75Å; V143-V164 HydrophobicContact CG2-CG1 4.39Å; C144-V164 CarbonylContact O-C 3.59Å; C144-V164 WeakPolarHBondContact O-CA 3.4Å
165	E	95.8	Very high	93.8	Very high	38 Å²	38	52.3 Å²	52.3	18%	0.178	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	159.2	177.3	-63.8	-179.6	178.9	0	0	111.7	Y133 V143 C144 Y146 G167 K170	Y133-E165 PolarHBondContact OH-OE2 3.43Å; V143-E165 WeakPolarHBondContact CA-O 3.34Å; C144-E165 HydrophobicContact CB-CB 4.29Å; C144-E165 PolarHBondContact N-O 2.87Å; C144-E165 PolarHBondContact O-N 2.88Å; Y146-E165 VanDerWaalsContact CE2-OE1 3.24Å; Y146-E165 WeakPolarHBondContact CE2-OE1 3.38Å; Y146-E165 PolarHBondContact OH-OE1 2.92Å; E165-G167 PolarHBondContact O-N 3.45Å; E165-K170 IonicContact OE2-NZ 3.85Å; E165-K170 PolarHBondContact OE2-NZ 3.47Å; E165-K170 VanDerWaalsContact OE2-NZ 3.15Å
166	N	95.9	Very high	94.5	Very high	102 Å²	102	55.7 Å²	55.7	55%	0.545	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	128.2	168.6	-174.2	-8	0	0	0	110.7	R168 K170	N166-R168 VanDerWaalsContact OD1-CB 3.27Å; N166-R168 WeakPolarHBondContact OD1-CB 3.36Å; N166-R168 PolarHBondContact OD1-N 3.17Å; N166-K170 PolarHBondContact O-NZ 2.92Å
167	G	96.9	Very high	95.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.264	C	S	.	.			trans	-97.2	1.5	179.1	0	0	0	0	0	115.3	P142 C144 E165 G169 K170 S171	P142-G167 WeakPolarHBondContact O-CA 3.47Å; P142-G167 PolarHBondContact O-N 2.95Å; C144-G167 VanDerWaalsContact SG-CA 3.54Å; E165-G167 PolarHBondContact O-N 3.45Å; G167-G169 PolarHBondContact O-N 3.33Å; G167-K170 WeakPolarHBondContact O-CA 3.14Å; G167-K170 WeakPolarHBondContact O-CB 3.38Å; G167-K170 PolarHBondContact O-N 2.89Å; G167-S171 PolarHBondContact O-N 3.44Å
168	R	96.9	Very high	95.4	Very high	131 Å²	131	56 Å²	56	49%	0.494	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-57.9	126.6	178.1	-175.2	177.7	-175.9	-167.3	-3.4	111	N166 K170 Y173 A194	N166-R168 VanDerWaalsContact OD1-CB 3.27Å; N166-R168 WeakPolarHBondContact OD1-CB 3.36Å; N166-R168 PolarHBondContact OD1-N 3.17Å; R168-K170 PolarHBondContact O-N 2.87Å; R168-Y173 HydrophobicContact CG-CE2 4.34Å; R168-A194 HydrophobicContact CG-CB 4.26Å; R168-A194 WeakPolarHBondContact CG-O 3.13Å; R168-A194 PolarHBondContact NE-O 3.22Å
169	G	95.1	Very high	95.5	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.01	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	-1.2	-176.3	0	0	0	0	0	114.5	G167 F204	G167-G169 PolarHBondContact O-N 3.33Å; G169-F204 WeakPolarHBondContact O-CB 3.44Å; G169-F204 WeakPolarHBondContact O-CD2 3.25Å
170	K	97.4	Very high	95.6	Very high	20 Å²	20	49.6 Å²	49.6	9%	0.087	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-37.9	174.2	-53.3	176.7	-178.1	164.9	0	111.3	V123 Y133 E165 N166 G167 R168 L188 T206	V123-K170 VanDerWaalsContact CG2-O 3.26Å; V123-K170 WeakPolarHBondContact CG2-O 3.36Å; Y133-K170 HydrophobicContact CE1-CD 4.17Å; Y133-K170 VanDerWaalsContact OH-CD 3.3Å; Y133-K170 WeakPolarHBondContact OH-CD 3.23Å; Y133-K170 WeakPolarHBondContact OH-CE 3.37Å; Y133-K170 PolarHBondContact OH-NZ 3.4Å; E165-K170 IonicContact OE2-NZ 3.85Å; E165-K170 PolarHBondContact OE2-NZ 3.47Å; E165-K170 VanDerWaalsContact OE2-NZ 3.15Å; N166-K170 PolarHBondContact O-NZ 2.92Å; G167-K170 WeakPolarHBondContact O-CA 3.14Å; G167-K170 WeakPolarHBondContact O-CB 3.38Å; G167-K170 PolarHBondContact O-N 2.89Å; R168-K170 PolarHBondContact O-N 2.87Å; K170-L188 HydrophobicContact CB-CD2 3.85Å; K170-L188 HydrophobicContact CD-CD2 4.32Å; K170-L188 HydrophobicContact CG-CD2 3.96Å; K170-T206 HydrophobicContact CG-CG2 4.37Å
171	S	97.7	Very high	95.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-137.3	148.4	-179.1	172.5	0	0	0	0	109.7	G136 P142 G167	G136-S171 WeakPolarHBondContact CA-OG 3.07Å; G136-S171 PolarHBondContact O-OG 3.37Å; P142-S171 WeakPolarHBondContact CB-O 3.23Å; P142-S171 WeakPolarHBondContact CG-O 3.5Å; G167-S171 PolarHBondContact O-N 3.44Å
172	P	97.8	Very high	95.9	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.265	C	S	.	.			trans	-79.3	158.1	-176.9	32	-27.5	0	0	0	111	K122 T137 P142 L177 T179	K122-P172 HydrophobicContact CG-CG 4.07Å; T137-P172 WeakPolarHBondContact CA-O 3.27Å; T137-P172 WeakPolarHBondContact CG2-O 3.06Å; P142-P172 WeakPolarHBondContact CG-O 3.34Å; P172-L177 HydrophobicContact CB-CB 3.97Å; P172-L177 HydrophobicContact CG-CB 4.48Å; P172-T179 WeakPolarHBondContact CD-OG1 3.38Å; P172-T179 WeakPolarHBondContact CG-OG1 3.37Å
173	Y	97.7	Very high	96.2	Very high	31 Å²	31	48.2 Å²	48.2	12%	0.122	23%	0.229	C	C	.	.	S	Bend	trans	-74.1	-48.1	172.7	-74.4	-109.3	0	0	0	111.5	F140 P142 R168 A194 D195 F196	F140-Y173 WeakPolarHBondContact CA-O 3.19Å; F140-Y173 WeakPolarHBondContact O-CD1 3.36Å; P142-Y173 VanDerWaalsContact CD-CD1 3.44Å; P142-Y173 VanDerWaalsContact CD-CZ 3.49Å; P142-Y173 HydrophobicContact CG-CD1 4.08Å; P142-Y173 HydrophobicContact CG-CD2 3.52Å; P142-Y173 HydrophobicContact CG-CE1 4.2Å; P142-Y173 HydrophobicContact CG-CE2 3.68Å; P142-Y173 HydrophobicContact CG-CG 3.71Å; R168-Y173 HydrophobicContact CG-CE2 4.34Å; Y173-A194 WeakPolarHBondContact CE2-O 3.39Å; Y173-D195 VanDerWaalsContact CD2-C 3.44Å; Y173-D195 VanDerWaalsContact CD2-O 3.26Å; Y173-D195 WeakPolarHBondContact CD2-O 3.15Å; Y173-F196 HydrophobicContact CD1-CB 4.1Å; Y173-F196 HydrophobicContact CD1-CD2 4.28Å
174	D	96.9	Very high	96.5	Very high	24 Å²	24	42.9 Å²	42.9	13%	0.128	21%	0.205	C	C	.	.	S	Bend	trans	-86.4	127.1	-178.3	-167.5	-48	0	0	0	110.7	K111 F140 K176 L177	K111-D174 IonicContact NZ-OD2 2.69Å; F140-D174 HydrophobicContact CE1-CB 3.67Å; F140-D174 HydrophobicContact CZ-CB 3.91Å; D174-K176 PolarHBondContact O-N 2.93Å; D174-K176 WeakPolarHBondContact OD1-CB 3.06Å; D174-K176 PolarHBondContact OD1-N 3.47Å; D174-L177 HydrophobicContact CB-CD1 3.97Å; D174-L177 HydrophobicContact CB-CG 4Å; D174-L177 PolarHBondContact O-N 3.24Å; D174-L177 VanDerWaalsContact O-N 3.12Å
175	P	95.9	Very high	96.4	Very high	15 Å²	15	45.3 Å²	45.3	10%	0.097	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-13.7	-179.5	28.1	-36	0	0	0	114.7	F120 K122 T137	F120-P175 HydrophobicContact CB-CB 4.14Å; F120-P175 HydrophobicContact CD1-CB 4.19Å; F120-P175 HydrophobicContact CD2-CB 3.4Å; F120-P175 VanDerWaalsContact CD2-CB 3.4Å; F120-P175 HydrophobicContact CD2-CG 3.99Å; F120-P175 HydrophobicContact CE1-CB 4.46Å; F120-P175 HydrophobicContact CE2-CB 3.72Å; F120-P175 HydrophobicContact CE2-CG 3.88Å; F120-P175 HydrophobicContact CG-CB 3.65Å; F120-P175 HydrophobicContact CZ-CB 4.25Å; F120-P175 HydrophobicContact CZ-CG 4.49Å; K122-P175 WeakPolarHBondContact CE-O 3.41Å; K122-P175 PolarHBondContact NZ-O 3.1Å; T137-P175 HydrophobicContact CG2-CB 4.19Å
176	K	94.8	Very high	96.3	Very high	148 Å²	148	45 Å²	45	64%	0.643	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-18	175.1	-61	173.1	-166.9	152.6	0	112.6	E116 D174	E116-K176 WeakPolarHBondContact OE1-CE 3.47Å; E116-K176 IonicContact OE1-NZ 3.82Å; E116-K176 PolarHBondContact OE1-NZ 2.65Å; D174-K176 PolarHBondContact O-N 2.93Å; D174-K176 WeakPolarHBondContact OD1-CB 3.06Å; D174-K176 PolarHBondContact OD1-N 3.47Å
177	L	95.8	Very high	96.3	Very high	25 Å²	25	41.5 Å²	41.5	13%	0.131	20%	0.203	C	C	.	.	S	Bend	trans	-78.6	139.9	178.7	-63.7	177.4	0	0	0	110.5	P172 D174 F201	P172-L177 HydrophobicContact CB-CB 3.97Å; P172-L177 HydrophobicContact CG-CB 4.48Å; D174-L177 HydrophobicContact CB-CD1 3.97Å; D174-L177 HydrophobicContact CB-CG 4Å; D174-L177 PolarHBondContact O-N 3.24Å; D174-L177 VanDerWaalsContact O-N 3.12Å; L177-F201 HydrophobicContact CD1-CE1 4.29Å; L177-F201 HydrophobicContact CD1-CZ 4.48Å; L177-F201 HydrophobicContact CD2-CE1 4.22Å; L177-F201 HydrophobicContact CD2-CZ 4.17Å
178	L	94.6	Very high	96.4	Very high	90 Å²	90	41.5 Å²	41.5	47%	0.471	20%	0.203	S	C	.	.			trans	-80	158.2	176.4	-60.7	-179.4	0	0	0	110.7
179	T	96.4	Very high	96.5	Very high	27 Å²	27	35.3 Å²	35.3	17%	0.166	18%	0.18	C	C	.	.			trans	-144.3	124.9	173.3	-69.8	0	0	0	0	108.4	V123 P172 G191 T192	V123-T179 HydrophobicContact CG2-CG2 4.03Å; P172-T179 WeakPolarHBondContact CD-OG1 3.38Å; P172-T179 WeakPolarHBondContact CG-OG1 3.37Å; T179-G191 WeakPolarHBondContact CA-O 3.28Å; T179-T192 WeakPolarHBondContact OG1-CB 3.21Å; T179-T192 PolarHBondContact OG1-OG1 2.75Å
180	A	97.7	Very high	96.6	Very high	5 Å²	5	35.3 Å²	35.3	4%	0.041	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	133.7	168.9	0	0	0	0	0	107.6	A190 G191 F228 V231	A180-A190 CarbonylContact O-C 3.58Å; A180-A190 VanDerWaalsContact O-CA 3.29Å; A180-A190 WeakPolarHBondContact O-CA 3.33Å; A180-G191 PolarHBondContact N-O 3.32Å; A180-G191 PolarHBondContact O-N 2.77Å; A180-F228 HydrophobicContact CB-CB 3.77Å; A180-V231 HydrophobicContact CB-CG2 3.89Å
181	S	97.6	Very high	96.7	Very high	19 Å²	19	34.3 Å²	34.3	13%	0.133	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	152.4	-179.7	62.2	0	0	0	0	112	Q125 Y189	Q125-S181 PolarHBondContact NE2-O 3.47Å; Q125-S181 PolarHBondContact NE2-OG 3.25Å; S181-Y189 CarbonylContact C-O 3.58Å; S181-Y189 WeakPolarHBondContact CA-O 3.11Å
182	R	97.7	Very high	96.7	Very high	121 Å²	121	34.3 Å²	34.3	46%	0.457	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	131.9	171	-166.8	68.8	174.8	-173.6	-2.4	109.4	I184 Y189 V231	R182-I184 HydrophobicContact CB-CD1 4.39Å; R182-I184 HydrophobicContact CB-CG1 4.45Å; R182-I184 HydrophobicContact CG-CD1 4.08Å; R182-I184 HydrophobicContact CG-CG1 3.87Å; R182-Y189 PolarHBondContact N-O 2.82Å; R182-Y189 PolarHBondContact O-N 2.95Å; R182-V231 HydrophobicContact CB-CB 4.04Å; R182-V231 HydrophobicContact CB-CG1 3.96Å
183	L	97.3	Very high	96.6	Very high	20 Å²	20	34.4 Å²	34.4	11%	0.105	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	125.7	170.7	-163.2	84.5	0	0	0	109.6	Q125 P126 F127 E187 L188 L207	Q125-L183 HydrophobicContact CB-CB 3.96Å; Q125-L183 HydrophobicContact CG-CB 4.49Å; P126-L183 WeakPolarHBondContact O-CD2 3.42Å; F127-L183 HydrophobicContact CB-CD2 4.16Å; F127-L183 HydrophobicContact CD2-CD2 3.6Å; F127-L183 HydrophobicContact CE2-CD2 4.44Å; F127-L183 HydrophobicContact CG-CD2 4.27Å; L183-E187 WeakPolarHBondContact CA-O 3.17Å; L183-L188 HydrophobicContact CB-CD1 4.36Å; L183-L188 HydrophobicContact CD1-CB 3.82Å; L183-L188 HydrophobicContact CD1-CD1 4.09Å; L183-L207 HydrophobicContact CD1-CD1 3.87Å
184	I	96	Very high	96.5	Very high	12 Å²	12	33 Å²	33	6%	0.062	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	121.5	-177.1	-58.8	165.4	0	0	0	107.2	R182 G186 E187 Y189 L233 I245	R182-I184 HydrophobicContact CB-CD1 4.39Å; R182-I184 HydrophobicContact CB-CG1 4.45Å; R182-I184 HydrophobicContact CG-CD1 4.08Å; R182-I184 HydrophobicContact CG-CG1 3.87Å; I184-G186 PolarHBondContact O-N 3.09Å; I184-G186 VanDerWaalsContact O-N 3.14Å; I184-E187 PolarHBondContact N-O 3.28Å; I184-E187 PolarHBondContact O-N 3.09Å; I184-Y189 HydrophobicContact CB-CD2 4.18Å; I184-Y189 HydrophobicContact CB-CE2 4.06Å; I184-Y189 HydrophobicContact CD1-CD2 3.94Å; I184-Y189 HydrophobicContact CD1-CE2 4.28Å; I184-Y189 HydrophobicContact CG1-CD2 4.36Å; I184-L233 HydrophobicContact CD1-CB 3.91Å; I184-L233 HydrophobicContact CG2-CD2 4.03Å; I184-I245 HydrophobicContact CD1-CD1 3.45Å; I184-I245 VanDerWaalsContact CD1-CD1 3.45Å
185	D	93.3	Very high	96.4	Very high	123 Å²	123	33.4 Å²	33.4	66%	0.658	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	36.7	179.6	-58.2	-19.7	0	0	0	114.6	E187 K272	D185-E187 VanDerWaalsContact C-N 3.27Å; D185-E187 PolarHBondContact O-N 3.17Å; D185-K272 WeakPolarHBondContact OD2-CE 3.48Å; D185-K272 IonicContact OD2-NZ 2.7Å; D185-K272 PolarHBondContact OD2-NZ 3.13Å
186	G	93.3	Very high	96.4	Very high	31 Å²	31	36.3 Å²	36.3	32%	0.32	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	-0.1	-178.6	0	0	0	0	0	114.8	I184 L207	I184-G186 PolarHBondContact O-N 3.09Å; I184-G186 VanDerWaalsContact O-N 3.14Å; G186-L207 WeakPolarHBondContact O-CB 3.29Å
187	E	96.3	Very high	96.4	Very high	29 Å²	29	35 Å²	35	14%	0.136	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	135.7	175.5	-52.8	-166.7	118.4	0	0	110.8	L183 I184 D185 Y189 R205 T206 G208	L183-E187 WeakPolarHBondContact CA-O 3.17Å; I184-E187 PolarHBondContact N-O 3.28Å; I184-E187 PolarHBondContact O-N 3.09Å; D185-E187 VanDerWaalsContact C-N 3.27Å; D185-E187 PolarHBondContact O-N 3.17Å; E187-Y189 HydrophobicContact CB-CE2 4.17Å; E187-R205 HydrophobicContact CB-CG 4.01Å; E187-R205 IonicContact OE1-NE 3.3Å; E187-R205 VanDerWaalsContact OE2-CD 3.23Å; E187-R205 WeakPolarHBondContact OE2-CD 3.44Å; E187-R205 IonicContact OE2-CZ 2.72Å; E187-R205 IonicContact OE2-NE 3.99Å; E187-R205 PolarHBondContact OE2-NE 2.6Å; E187-T206 CarbonylContact C-O 3.59Å; E187-T206 WeakPolarHBondContact CA-O 3.43Å; E187-G208 WeakPolarHBondContact OE1-CA 3.39Å
188	L	97.9	Very high	96.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	113.6	178.9	-175.2	72.6	0	0	0	110	Q125 Y133 K170 L183 R205 T206 L207	Q125-L188 HydrophobicContact CG-CD1 4.16Å; Y133-L188 HydrophobicContact CD1-CD2 4.24Å; Y133-L188 HydrophobicContact CE1-CD2 3.92Å; K170-L188 HydrophobicContact CB-CD2 3.85Å; K170-L188 HydrophobicContact CD-CD2 4.32Å; K170-L188 HydrophobicContact CG-CD2 3.96Å; L183-L188 HydrophobicContact CB-CD1 4.36Å; L183-L188 HydrophobicContact CD1-CB 3.82Å; L183-L188 HydrophobicContact CD1-CD1 4.09Å; L188-R205 WeakPolarHBondContact O-CA 3.4Å; L188-T206 PolarHBondContact N-O 3.46Å; L188-T206 PolarHBondContact O-N 3.31Å; L188-L207 HydrophobicContact CB-CD1 3.88Å; L188-L207 HydrophobicContact CB-CG 4.22Å
189	Y	98.6	Very high	96.1	Very high	1 Å²	1	39.1 Å²	39.1	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	124.2	168.3	-66.1	-99.1	0	0	0	108.5	S181 R182 I184 E187 F204 R205 I245 K272 W285	S181-Y189 CarbonylContact C-O 3.58Å; S181-Y189 WeakPolarHBondContact CA-O 3.11Å; R182-Y189 PolarHBondContact N-O 2.82Å; R182-Y189 PolarHBondContact O-N 2.95Å; I184-Y189 HydrophobicContact CB-CD2 4.18Å; I184-Y189 HydrophobicContact CB-CE2 4.06Å; I184-Y189 HydrophobicContact CD1-CD2 3.94Å; I184-Y189 HydrophobicContact CD1-CE2 4.28Å; I184-Y189 HydrophobicContact CG1-CD2 4.36Å; E187-Y189 HydrophobicContact CB-CE2 4.17Å; Y189-F204 CarbonylContact C-O 3.49Å; Y189-F204 VanDerWaalsContact CA-O 3.31Å; Y189-F204 WeakPolarHBondContact CA-O 3.11Å; Y189-R205 HydrophobicContact CD1-CB 4.27Å; Y189-R205 HydrophobicContact CD1-CG 4.33Å; Y189-R205 HydrophobicContact CE1-CB 4.18Å; Y189-R205 HydrophobicContact CE1-CG 3.99Å; Y189-R205 HydrophobicContact CE2-CG 4.22Å; Y189-R205 WeakPolarHBondContact OH-CD 3.48Å; Y189-I245 HydrophobicContact CD1-CG1 4.03Å; Y189-I245 HydrophobicContact CD1-CG2 4.18Å; Y189-I245 HydrophobicContact CE1-CG1 3.74Å; Y189-I245 HydrophobicContact CG-CG2 4.43Å; Y189-K272 PolarHBondContact OH-O 3.07Å; Y189-W285 HydrophobicContact CD1-CH2 4.28Å; Y189-W285 AromaticContact CE1-CH2 3.81Å; Y189-W285 HydrophobicContact CE1-CH2 3.81Å; Y189-W285 HydrophobicContact CE1-CZ2 4.48Å
190	A	98.4	Very high	96.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	132.7	-176.4	0	0	0	0	0	112.4	A180 I203 F204	A180-A190 CarbonylContact O-C 3.58Å; A180-A190 VanDerWaalsContact O-CA 3.29Å; A180-A190 WeakPolarHBondContact O-CA 3.33Å; A190-I203 CarbonylContact O-C 3.53Å; A190-I203 WeakPolarHBondContact O-CA 3.46Å; A190-F204 PolarHBondContact N-O 3.08Å; A190-F204 PolarHBondContact O-N 2.75Å
191	G	98.4	Very high	96	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	112.3	164.6	0	0	0	0	0	109.4	T179 A180 F228	T179-G191 WeakPolarHBondContact CA-O 3.28Å; A180-G191 PolarHBondContact N-O 3.32Å; A180-G191 PolarHBondContact O-N 2.77Å; G191-F228 VanDerWaalsContact C-CE2 3.42Å; G191-F228 WeakPolarHBondContact O-CD2 3.47Å; G191-F228 WeakPolarHBondContact O-CG 3.42Å
192	T	97.9	Very high	96.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	176	-178.2	-164.6	0	0	0	0	112.6	T179 A202 F204	T179-T192 WeakPolarHBondContact OG1-CB 3.21Å; T179-T192 PolarHBondContact OG1-OG1 2.75Å; T192-A202 PolarHBondContact N-O 2.73Å; T192-A202 VanDerWaalsContact N-O 3.13Å; T192-A202 PolarHBondContact O-N 3.1Å; T192-F204 HydrophobicContact CG2-CD2 4.34Å; T192-F204 HydrophobicContact CG2-CE2 4.46Å
193	S	96.8	Very high	96.1	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.007	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	134.6	169.1	-169.6	0	0	0	0	111	D195 G198 D200	S193-D195 PolarHBondContact OG-OD1 3.23Å; S193-G198 WeakPolarHBondContact OG-CA 3.43Å; S193-D200 WeakPolarHBondContact CA-O 3.38Å
194	A	95.5	Very high	96.1	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.008	16%	0.161	C	C	.	.			trans	-105.9	8.3	-176.1	0	0	0	0	0	114.5	R168 Y173 D200 F204	R168-A194 HydrophobicContact CG-CB 4.26Å; R168-A194 WeakPolarHBondContact CG-O 3.13Å; R168-A194 PolarHBondContact NE-O 3.22Å; Y173-A194 WeakPolarHBondContact CE2-O 3.39Å; A194-D200 PolarHBondContact N-O 2.7Å; A194-F204 HydrophobicContact CB-CE1 4.45Å; A194-F204 HydrophobicContact CB-CE2 3.87Å; A194-F204 HydrophobicContact CB-CZ 3.46Å; A194-F204 VanDerWaalsContact CB-CZ 3.46Å
195	D	95.4	Very high	96.2	Very high	34 Å²	34	32 Å²	32	18%	0.182	16%	0.159	C	C	.	.	S	Bend	trans	-129.6	163.1	178	75.2	-26.9	0	0	0	113.5	Y173 S193 M197 G198 R199 D200	Y173-D195 VanDerWaalsContact CD2-C 3.44Å; Y173-D195 VanDerWaalsContact CD2-O 3.26Å; Y173-D195 WeakPolarHBondContact CD2-O 3.15Å; S193-D195 PolarHBondContact OG-OD1 3.23Å; D195-M197 VanDerWaalsContact C-N 3.29Å; D195-M197 PolarHBondContact O-N 3.45Å; D195-G198 PolarHBondContact O-N 3.46Å; D195-G198 WeakPolarHBondContact OD1-CA 3.25Å; D195-G198 PolarHBondContact OD1-N 3.09Å; D195-R199 PolarHBondContact OD1-N 2.71Å; D195-R199 PolarHBondContact OD2-N 2.89Å; D195-D200 HydrophobicContact CB-CB 3.79Å; D195-D200 VanDerWaalsContact CG-N 3.34Å; D195-D200 PolarHBondContact OD1-N 2.85Å; D195-D200 PolarHBondContact OD2-N 2.79Å
196	F	95.3	Very high	96.4	Very high	75 Å²	75	26.7 Å²	26.7	33%	0.329	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-32.7	178.2	-179.2	-86.7	0	0	0	112.8	A109 K111 F140 Y173 G198	A109-F196 HydrophobicContact CB-CE1 4.33Å; A109-F196 HydrophobicContact CB-CE2 4.19Å; A109-F196 HydrophobicContact CB-CZ 3.55Å; K111-F196 HydrophobicContact CG-CZ 4.21Å; F140-F196 HydrophobicContact CB-CD2 3.72Å; F140-F196 HydrophobicContact CB-CE2 3.43Å; F140-F196 VanDerWaalsContact CB-CE2 3.43Å; F140-F196 HydrophobicContact CB-CZ 4.48Å; F140-F196 AromaticContact CD1-CD2 3.85Å; F140-F196 HydrophobicContact CD1-CD2 3.85Å; F140-F196 AromaticContact CD1-CE2 3.59Å; F140-F196 HydrophobicContact CD1-CE2 3.59Å; F140-F196 HydrophobicContact CD1-CG 4.48Å; F140-F196 HydrophobicContact CD1-CZ 4.01Å; F140-F196 HydrophobicContact CG-CD2 4.21Å; F140-F196 AromaticContact CG-CE2 3.75Å; F140-F196 HydrophobicContact CG-CE2 3.75Å; F140-F196 HydrophobicContact CG-CZ 4.4Å; Y173-F196 HydrophobicContact CD1-CB 4.1Å; Y173-F196 HydrophobicContact CD1-CD2 4.28Å; F196-G198 VanDerWaalsContact C-N 3.32Å
197	M	93.8	Very high	96.4	Very high	122 Å²	122	27.6 Å²	27.6	60%	0.601	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-13.2	-175.9	-61.8	-173.5	72.4	0	0	113.5	D195 R199	D195-M197 VanDerWaalsContact C-N 3.29Å; D195-M197 PolarHBondContact O-N 3.45Å; M197-R199 HydrophobicContact CB-CG 4.17Å
198	G	92.3	Very high	96	Very high	16 Å²	16	27.5 Å²	27.5	17%	0.165	14%	0.135	C	C	.	.	S	Bend	trans	71.8	38.3	-176.3	0	0	0	0	0	112.5	S193 D195 F196 F201	S193-G198 WeakPolarHBondContact OG-CA 3.43Å; D195-G198 PolarHBondContact O-N 3.46Å; D195-G198 WeakPolarHBondContact OD1-CA 3.25Å; D195-G198 PolarHBondContact OD1-N 3.09Å; F196-G198 VanDerWaalsContact C-N 3.32Å; G198-F201 WeakPolarHBondContact O-CE2 3.29Å; G198-F201 VanDerWaalsContact O-CZ 3.25Å; G198-F201 WeakPolarHBondContact O-CZ 3.08Å
199	R	92.4	Very high	95.5	Very high	184 Å²	184	37.4 Å²	37.4	69%	0.694	18%	0.179	S	C	*	.			trans	-123.8	-25.5	-177.4	-65.4	-177.1	176.9	-176.8	-1.9	112.9	D195 M197 F201	D195-R199 PolarHBondContact OD1-N 2.71Å; D195-R199 PolarHBondContact OD2-N 2.89Å; M197-R199 HydrophobicContact CB-CG 4.17Å; R199-F201 VanDerWaalsContact C-N 3.35Å; R199-F201 PolarHBondContact O-N 2.72Å
200	D	95.8	Very high	95	Very high	7 Å²	7	42.5 Å²	42.5	4%	0.037	20%	0.202	C	C	.	.			trans	-88.3	70.9	178.1	-174.1	28.1	0	0	0	111	S193 A194 D195 R214 Q217	S193-D200 WeakPolarHBondContact CA-O 3.38Å; A194-D200 PolarHBondContact N-O 2.7Å; D195-D200 HydrophobicContact CB-CB 3.79Å; D195-D200 VanDerWaalsContact CG-N 3.34Å; D195-D200 PolarHBondContact OD1-N 2.85Å; D195-D200 PolarHBondContact OD2-N 2.79Å; D200-R214 IonicContact OD1-CZ 2.92Å; D200-R214 IonicContact OD1-NH1 2.64Å; D200-R214 PolarHBondContact OD1-NH1 2.86Å; D200-R214 IonicContact OD1-NH2 3.6Å; D200-R214 PolarHBondContact OD1-NH2 3.49Å; D200-R214 IonicContact OD2-CZ 3.88Å; D200-R214 IonicContact OD2-NH1 3.04Å; D200-R214 PolarHBondContact OD2-NH1 3.38Å; D200-R214 IonicContact OD2-NH2 3.27Å; D200-Q217 WeakPolarHBondContact OD1-CG 3.26Å; D200-Q217 PolarHBondContact OD1-NE2 3.17Å; D200-Q217 VanDerWaalsContact OD1-NE2 3.16Å; D200-Q217 PolarHBondContact OD2-NE2 2.71Å; D200-Q217 VanDerWaalsContact OD2-NE2 3.1Å
201	F	97.2	Very high	94.7	Very high	24 Å²	24	49 Å²	49	11%	0.105	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	136	174.4	-61	-80.8	0	0	0	111.3	L177 G198 R199 D225 P226 F228	L177-F201 HydrophobicContact CD1-CE1 4.29Å; L177-F201 HydrophobicContact CD1-CZ 4.48Å; L177-F201 HydrophobicContact CD2-CE1 4.22Å; L177-F201 HydrophobicContact CD2-CZ 4.17Å; G198-F201 WeakPolarHBondContact O-CE2 3.29Å; G198-F201 VanDerWaalsContact O-CZ 3.25Å; G198-F201 WeakPolarHBondContact O-CZ 3.08Å; R199-F201 VanDerWaalsContact C-N 3.35Å; R199-F201 PolarHBondContact O-N 2.72Å; F201-D225 VanDerWaalsContact CE2-OD1 3.31Å; F201-D225 WeakPolarHBondContact CE2-OD1 2.76Å; F201-P226 HydrophobicContact CB-CG 3.51Å; F201-P226 HydrophobicContact CD1-CG 4.29Å; F201-P226 HydrophobicContact CG-CG 3.88Å; F201-F228 HydrophobicContact CB-CE2 4.45Å; F201-F228 HydrophobicContact CD1-CE2 4.4Å
202	A	98	Very high	94.5	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	161.4	174.4	0	0	0	0	0	112.5	T192 F204 R214 T215	T192-A202 PolarHBondContact N-O 2.73Å; T192-A202 VanDerWaalsContact N-O 3.13Å; T192-A202 PolarHBondContact O-N 3.1Å; A202-F204 HydrophobicContact CB-CD2 4.07Å; A202-F204 HydrophobicContact CB-CE1 4.23Å; A202-F204 HydrophobicContact CB-CE2 3.38Å; A202-F204 HydrophobicContact CB-CZ 3.46Å; A202-F204 VanDerWaalsContact CB-CZ 3.46Å; A202-F204 WeakPolarHBondContact O-CD2 3.44Å; A202-R214 HydrophobicContact CB-CB 4.42Å; A202-T215 VanDerWaalsContact CA-OG1 3.26Å; A202-T215 WeakPolarHBondContact CA-OG1 3.39Å; A202-T215 WeakPolarHBondContact CB-OG1 3.25Å
203	I	98.6	Very high	94.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	120.5	167.4	-58.3	162	0	0	0	107.3	A190 R214 T215 L223 F228 L247 L270 W285 F288	A190-I203 CarbonylContact O-C 3.53Å; A190-I203 WeakPolarHBondContact O-CA 3.46Å; I203-R214 CarbonylContact O-C 3.38Å; I203-R214 VanDerWaalsContact O-CA 3.24Å; I203-R214 WeakPolarHBondContact O-CA 3.32Å; I203-T215 HydrophobicContact CB-CG2 3.86Å; I203-T215 HydrophobicContact CD1-CG2 4.14Å; I203-T215 HydrophobicContact CG1-CG2 4.23Å; I203-T215 PolarHBondContact N-OG1 3.15Å; I203-T215 PolarHBondContact O-N 3.19Å; I203-T215 VanDerWaalsContact O-N 3.16Å; I203-L223 HydrophobicContact CD1-CD1 4.45Å; I203-L223 HydrophobicContact CD1-CD2 4.33Å; I203-L223 HydrophobicContact CG1-CD1 4.23Å; I203-F228 HydrophobicContact CD1-CE1 4.3Å; I203-F228 HydrophobicContact CG1-CE1 3.68Å; I203-F228 HydrophobicContact CG1-CZ 4.11Å; I203-L247 HydrophobicContact CB-CD2 4.22Å; I203-L247 HydrophobicContact CD1-CD1 4.44Å; I203-L247 HydrophobicContact CD1-CD2 3.91Å; I203-L247 HydrophobicContact CG1-CD2 3.82Å; I203-L247 HydrophobicContact CG2-CD1 4.21Å; I203-L247 HydrophobicContact CG2-CD2 3.39Å; I203-L247 HydrophobicContact CG2-CG 4.46Å; I203-L270 HydrophobicContact CG2-CD1 3.89Å; I203-W285 PolarHBondContact O-NE1 3.45Å; I203-F288 HydrophobicContact CD1-CD2 4.2Å; I203-F288 HydrophobicContact CD1-CE2 3.45Å; I203-F288 VanDerWaalsContact CD1-CE2 3.45Å; I203-F288 HydrophobicContact CD1-CZ 3.94Å
204	F	98.2	Very high	94.5	Very high	17 Å²	17	54.6 Å²	54.6	8%	0.075	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	149.8	-174.1	-66.6	-86.1	0	0	0	112	G169 Y189 A190 T192 A194 A202 T206 I213 R214	G169-F204 WeakPolarHBondContact O-CB 3.44Å; G169-F204 WeakPolarHBondContact O-CD2 3.25Å; Y189-F204 CarbonylContact C-O 3.49Å; Y189-F204 VanDerWaalsContact CA-O 3.31Å; Y189-F204 WeakPolarHBondContact CA-O 3.11Å; A190-F204 PolarHBondContact N-O 3.08Å; A190-F204 PolarHBondContact O-N 2.75Å; T192-F204 HydrophobicContact CG2-CD2 4.34Å; T192-F204 HydrophobicContact CG2-CE2 4.46Å; A194-F204 HydrophobicContact CB-CE1 4.45Å; A194-F204 HydrophobicContact CB-CE2 3.87Å; A194-F204 HydrophobicContact CB-CZ 3.46Å; A194-F204 VanDerWaalsContact CB-CZ 3.46Å; A202-F204 HydrophobicContact CB-CD2 4.07Å; A202-F204 HydrophobicContact CB-CE1 4.23Å; A202-F204 HydrophobicContact CB-CE2 3.38Å; A202-F204 HydrophobicContact CB-CZ 3.46Å; A202-F204 VanDerWaalsContact CB-CZ 3.46Å; A202-F204 WeakPolarHBondContact O-CD2 3.44Å; F204-T206 HydrophobicContact CB-CG2 4.28Å; F204-I213 CarbonylContact C-O 3.41Å; F204-I213 VanDerWaalsContact CA-O 3.27Å; F204-I213 WeakPolarHBondContact CA-O 3.14Å; F204-R214 HydrophobicContact CD1-CB 3.63Å; F204-R214 HydrophobicContact CE1-CB 3.59Å; F204-R214 HydrophobicContact CE1-CG 4.35Å; F204-R214 HydrophobicContact CG-CB 4.47Å; F204-R214 HydrophobicContact CZ-CB 4.4Å
205	R	98	Very high	94.6	Very high	6 Å²	6	54.6 Å²	54.6	2%	0.023	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	126.2	155.7	-175.5	176.7	80.7	-151.8	-8	109.6	E187 L188 Y189 P212 I213 K272 D274 W285	E187-R205 HydrophobicContact CB-CG 4.01Å; E187-R205 IonicContact OE1-NE 3.3Å; E187-R205 VanDerWaalsContact OE2-CD 3.23Å; E187-R205 WeakPolarHBondContact OE2-CD 3.44Å; E187-R205 IonicContact OE2-CZ 2.72Å; E187-R205 IonicContact OE2-NE 3.99Å; E187-R205 PolarHBondContact OE2-NE 2.6Å; L188-R205 WeakPolarHBondContact O-CA 3.4Å; Y189-R205 HydrophobicContact CD1-CB 4.27Å; Y189-R205 HydrophobicContact CD1-CG 4.33Å; Y189-R205 HydrophobicContact CE1-CB 4.18Å; Y189-R205 HydrophobicContact CE1-CG 3.99Å; Y189-R205 HydrophobicContact CE2-CG 4.22Å; Y189-R205 WeakPolarHBondContact OH-CD 3.48Å; R205-P212 VanDerWaalsContact O-CA 3.28Å; R205-P212 WeakPolarHBondContact O-CA 3.35Å; R205-I213 PolarHBondContact N-O 3.49Å; R205-I213 PolarHBondContact O-N 2.95Å; R205-I213 VanDerWaalsContact O-N 3.13Å; R205-K272 PolarHBondContact NH1-O 3.47Å; R205-D274 PolarHBondContact NH1-O 2.98Å; R205-D274 PolarHBondContact NH2-O 3.35Å; R205-W285 HydrophobicContact CB-CH2 3.48Å; R205-W285 VanDerWaalsContact CB-CH2 3.48Å; R205-W285 HydrophobicContact CB-CZ2 3.58Å; R205-W285 HydrophobicContact CG-CH2 4.33Å
206	T	96.8	Very high	94.6	Very high	13 Å²	13	53.7 Å²	53.7	8%	0.08	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	-177.3	-176.8	65.6	0	0	0	0	111.4	K170 E187 L188 F204 G208 P212	K170-T206 HydrophobicContact CG-CG2 4.37Å; E187-T206 CarbonylContact C-O 3.59Å; E187-T206 WeakPolarHBondContact CA-O 3.43Å; L188-T206 PolarHBondContact N-O 3.46Å; L188-T206 PolarHBondContact O-N 3.31Å; F204-T206 HydrophobicContact CB-CG2 4.28Å; T206-G208 PolarHBondContact O-N 3.39Å; T206-P212 HydrophobicContact CG2-CB 4.35Å
207	L	92.7	Very high	94.6	Very high	49 Å²	49	53.8 Å²	53.8	26%	0.257	26%	0.26	S	S	.	.	S	Bend	trans	65.1	-14.2	-179.6	-62.6	-178.7	0	0	0	117.5	Y133 L183 G186 L188	Y133-L207 HydrophobicContact CD1-CD1 3.88Å; Y133-L207 HydrophobicContact CD2-CD1 4.02Å; Y133-L207 HydrophobicContact CE1-CD1 3.63Å; Y133-L207 HydrophobicContact CE1-CG 4.47Å; Y133-L207 HydrophobicContact CE2-CD1 3.79Å; Y133-L207 HydrophobicContact CE2-CD2 4.05Å; Y133-L207 HydrophobicContact CG-CD1 4.06Å; L183-L207 HydrophobicContact CD1-CD1 3.87Å; G186-L207 WeakPolarHBondContact O-CB 3.29Å; L188-L207 HydrophobicContact CB-CD1 3.88Å; L188-L207 HydrophobicContact CB-CG 4.22Å
208	G	87.5	Confident	94.3	Very high	27 Å²	27	55.8 Å²	55.8	28%	0.278	27%	0.267	S	S	.	.	S	Bend	trans	-72	176.7	177.4	0	0	0	0	0	115.2	E187 T206 H210	E187-G208 WeakPolarHBondContact OE1-CA 3.39Å; T206-G208 PolarHBondContact O-N 3.39Å; G208-H210 PolarHBondContact O-N 2.95Å
209	K	88.2	Confident	94.3	Very high	209 Å²	209	56.2 Å²	56.2	91%	0.909	27%	0.265	S	S	*	.	S	Bend	trans	-69.8	-21.6	172.6	-63.9	177.8	-178.1	174.3	0	112.5
210	H	88.1	Confident	94.3	Very high	107 Å²	107	49.7 Å²	49.7	50%	0.495	25%	0.248	S	C	.	.	S	Bend	trans	-88.7	159.7	-178.5	-59.9	-66.3	0	0	0	111.3	G208	G208-H210 PolarHBondContact O-N 2.95Å
211	H	91.1	Very high	94.2	Very high	137 Å²	137	54.1 Å²	54.1	63%	0.634	26%	0.264	S	S	*	.	P	Polyproline II helix	trans	-58.9	144.5	172.8	-78.4	83.1	0	0	0	110.4	I213 N283	H211-I213 PolarHBondContact O-N 2.85Å; H211-N283 WeakPolarHBondContact CB-OD1 3.21Å
212	P	95.4	Very high	94.1	Very high	77 Å²	77	53.1 Å²	53.1	50%	0.5	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-54.8	133.1	177	-27.8	35.7	0	0	0	112.1	R205 T206	R205-P212 VanDerWaalsContact O-CA 3.28Å; R205-P212 WeakPolarHBondContact O-CA 3.35Å; T206-P212 HydrophobicContact CG2-CB 4.35Å
213	I	97.1	Very high	94	Very high	3 Å²	3	54 Å²	54	2%	0.015	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	142.9	176.3	-59.8	-170.1	0	0	0	109.3	F204 R205 H211 D274 L275 N283 W285	F204-I213 CarbonylContact C-O 3.41Å; F204-I213 VanDerWaalsContact CA-O 3.27Å; F204-I213 WeakPolarHBondContact CA-O 3.14Å; R205-I213 PolarHBondContact N-O 3.49Å; R205-I213 PolarHBondContact O-N 2.95Å; R205-I213 VanDerWaalsContact O-N 3.13Å; H211-I213 PolarHBondContact O-N 2.85Å; I213-D274 WeakPolarHBondContact CD1-O 3.29Å; I213-L275 VanDerWaalsContact CD1-C 3.48Å; I213-N283 WeakPolarHBondContact CA-O 3.46Å; I213-W285 HydrophobicContact CB-CD2 4.44Å; I213-W285 HydrophobicContact CB-CH2 4.25Å; I213-W285 HydrophobicContact CB-CZ2 4.17Å; I213-W285 HydrophobicContact CB-CZ3 4.41Å; I213-W285 HydrophobicContact CD1-CZ3 4.43Å; I213-W285 HydrophobicContact CG2-CD2 3.41Å; I213-W285 VanDerWaalsContact CG2-CD2 3.41Å; I213-W285 HydrophobicContact CG2-CE3 3.63Å; I213-W285 HydrophobicContact CG2-CG 3.86Å; I213-W285 HydrophobicContact CG2-CH2 4.18Å; I213-W285 HydrophobicContact CG2-CZ2 3.99Å; I213-W285 HydrophobicContact CG2-CZ3 4.01Å
214	R	97.5	Very high	93.8	Very high	39 Å²	39	55.9 Å²	55.9	15%	0.147	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	166.4	175	63.4	168.5	-69.8	157.7	0.3	114	D200 A202 I203 F204 N283 K284 W285	D200-R214 IonicContact OD1-CZ 2.92Å; D200-R214 IonicContact OD1-NH1 2.64Å; D200-R214 PolarHBondContact OD1-NH1 2.86Å; D200-R214 IonicContact OD1-NH2 3.6Å; D200-R214 PolarHBondContact OD1-NH2 3.49Å; D200-R214 IonicContact OD2-CZ 3.88Å; D200-R214 IonicContact OD2-NH1 3.04Å; D200-R214 PolarHBondContact OD2-NH1 3.38Å; D200-R214 IonicContact OD2-NH2 3.27Å; A202-R214 HydrophobicContact CB-CB 4.42Å; I203-R214 CarbonylContact O-C 3.38Å; I203-R214 VanDerWaalsContact O-CA 3.24Å; I203-R214 WeakPolarHBondContact O-CA 3.32Å; F204-R214 HydrophobicContact CD1-CB 3.63Å; F204-R214 HydrophobicContact CE1-CB 3.59Å; F204-R214 HydrophobicContact CE1-CG 4.35Å; F204-R214 HydrophobicContact CG-CB 4.47Å; F204-R214 HydrophobicContact CZ-CB 4.4Å; R214-N283 PolarHBondContact N-O 3.26Å; R214-N283 VanDerWaalsContact N-O 3.15Å; R214-K284 WeakPolarHBondContact O-CA 3.35Å; R214-K284 WeakPolarHBondContact O-CB 3.47Å; R214-W285 PolarHBondContact O-N 3.03Å
215	T	98	Very high	93.7	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-66.6	157.6	165.3	48.1	0	0	0	0	111.6	A202 I203 Q217 W222 L223	A202-T215 VanDerWaalsContact CA-OG1 3.26Å; A202-T215 WeakPolarHBondContact CA-OG1 3.39Å; A202-T215 WeakPolarHBondContact CB-OG1 3.25Å; I203-T215 HydrophobicContact CB-CG2 3.86Å; I203-T215 HydrophobicContact CD1-CG2 4.14Å; I203-T215 HydrophobicContact CG1-CG2 4.23Å; I203-T215 PolarHBondContact N-OG1 3.15Å; I203-T215 PolarHBondContact O-N 3.19Å; I203-T215 VanDerWaalsContact O-N 3.16Å; T215-Q217 PolarHBondContact O-N 2.79Å; T215-W222 HydrophobicContact CG2-CE3 3.76Å; T215-W222 HydrophobicContact CG2-CZ3 4.07Å; T215-L223 HydrophobicContact CG2-CD1 4.14Å; T215-L223 WeakPolarHBondContact OG1-CD1 3.31Å
216	E	95.7	Very high	93.6	Very high	15 Å²	15	57.6 Å²	57.6	7%	0.07	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-53.7	132.3	174	-165.9	90	-134.6	0	0	110.7	D219 W222 L281 K284 R406	E216-D219 HydrophobicContact CB-CB 4.28Å; E216-D219 HydrophobicContact CG-CB 3.92Å; E216-W222 HydrophobicContact CB-CD2 3.66Å; E216-W222 HydrophobicContact CB-CE3 4.19Å; E216-W222 HydrophobicContact CB-CG 3.93Å; E216-W222 HydrophobicContact CB-CH2 4.38Å; E216-W222 HydrophobicContact CB-CZ2 3.91Å; E216-L281 WeakPolarHBondContact OE2-CD2 3.2Å; E216-K284 IonicContact OE1-NZ 2.75Å; E216-K284 PolarHBondContact OE1-NZ 2.87Å; E216-R406 VanDerWaalsContact CD-NE 3.32Å; E216-R406 IonicContact OE1-CZ 3.85Å; E216-R406 IonicContact OE1-NE 2.77Å; E216-R406 PolarHBondContact OE1-NE 2.72Å; E216-R406 IonicContact OE1-NH2 3.92Å; E216-R406 PolarHBondContact OE1-NH2 3.4Å; E216-R406 IonicContact OE2-CZ 3.07Å; E216-R406 IonicContact OE2-NE 3.15Å; E216-R406 PolarHBondContact OE2-NE 3.07Å; E216-R406 IonicContact OE2-NH2 2.98Å
217	Q	93.7	Very high	93.6	Very high	78 Å²	78	60.3 Å²	60.3	36%	0.364	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	140.9	-178.3	-164.7	179.4	21.5	0	0	110.3	D200 T215 D219	D200-Q217 WeakPolarHBondContact OD1-CG 3.26Å; D200-Q217 PolarHBondContact OD1-NE2 3.17Å; D200-Q217 VanDerWaalsContact OD1-NE2 3.16Å; D200-Q217 PolarHBondContact OD2-NE2 2.71Å; D200-Q217 VanDerWaalsContact OD2-NE2 3.1Å; T215-Q217 PolarHBondContact O-N 2.79Å; Q217-D219 PolarHBondContact O-N 3.37Å
218	H	88.5	Confident	93.9	Very high	163 Å²	163	58.3 Å²	58.3	76%	0.755	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	20.5	176.5	-50.1	-52.7	0	0	0	115.2
219	D	92.5	Very high	94.4	Very high	25 Å²	25	58.2 Å²	58.2	13%	0.134	28%	0.277	C	S	.	.			trans	-110.5	104.3	172.4	-166	-31.4	0	0	0	110.2	E216 Q217 R221 W222 L223	E216-D219 HydrophobicContact CB-CB 4.28Å; E216-D219 HydrophobicContact CG-CB 3.92Å; Q217-D219 PolarHBondContact O-N 3.37Å; D219-R221 PolarHBondContact O-N 3.49Å; D219-R221 WeakPolarHBondContact OD1-CB 3.39Å; D219-R221 WeakPolarHBondContact OD1-CG 3.47Å; D219-R221 IonicContact OD1-CZ 3.7Å; D219-R221 PolarHBondContact OD1-N 2.9Å; D219-R221 IonicContact OD1-NE 3.83Å; D219-R221 PolarHBondContact OD1-NE 3.28Å; D219-R221 IonicContact OD1-NH2 3.87Å; D219-R221 IonicContact OD2-CZ 3.77Å; D219-R221 IonicContact OD2-NE 2.76Å; D219-R221 PolarHBondContact OD2-NE 2.89Å; D219-R221 IonicContact OD2-NH2 3.87Å; D219-R221 PolarHBondContact OD2-NH2 3.03Å; D219-W222 WeakPolarHBondContact O-CB 3.42Å; D219-W222 PolarHBondContact O-N 3.14Å; D219-L223 PolarHBondContact O-N 2.97Å
220	S	92.1	Very high	94.8	Very high	47 Å²	47	48.7 Å²	48.7	33%	0.329	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-12.8	-177.5	53.5	0	0	0	0	113.8	W222 M254	S220-W222 VanDerWaalsContact C-N 3.26Å; S220-W222 PolarHBondContact O-N 3.42Å; S220-M254 WeakPolarHBondContact OG-CE 3.15Å
221	R	92.7	Very high	95.3	Very high	100 Å²	100	43.9 Å²	43.9	38%	0.377	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-35	170	-62.8	173.8	-71.7	-170.9	-3.1	110.9	D219 K290 P409	D219-R221 PolarHBondContact O-N 3.49Å; D219-R221 WeakPolarHBondContact OD1-CB 3.39Å; D219-R221 WeakPolarHBondContact OD1-CG 3.47Å; D219-R221 IonicContact OD1-CZ 3.7Å; D219-R221 PolarHBondContact OD1-N 2.9Å; D219-R221 IonicContact OD1-NE 3.83Å; D219-R221 PolarHBondContact OD1-NE 3.28Å; D219-R221 IonicContact OD1-NH2 3.87Å; D219-R221 IonicContact OD2-CZ 3.77Å; D219-R221 IonicContact OD2-NE 2.76Å; D219-R221 PolarHBondContact OD2-NE 2.89Å; D219-R221 IonicContact OD2-NH2 3.87Å; D219-R221 PolarHBondContact OD2-NH2 3.03Å; R221-K290 WeakPolarHBondContact O-CE 3.19Å; R221-K290 PolarHBondContact O-NZ 2.98Å; R221-P409 HydrophobicContact CB-CG 4.08Å; R221-P409 WeakPolarHBondContact O-CG 3.37Å
222	W	95.8	Very high	95.6	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.015	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-58	179	-74.1	62.8	0	0	0	111.1	T215 E216 D219 S220 L281 W285 F288 K290 R406 P409	T215-W222 HydrophobicContact CG2-CE3 3.76Å; T215-W222 HydrophobicContact CG2-CZ3 4.07Å; E216-W222 HydrophobicContact CB-CD2 3.66Å; E216-W222 HydrophobicContact CB-CE3 4.19Å; E216-W222 HydrophobicContact CB-CG 3.93Å; E216-W222 HydrophobicContact CB-CH2 4.38Å; E216-W222 HydrophobicContact CB-CZ2 3.91Å; D219-W222 WeakPolarHBondContact O-CB 3.42Å; D219-W222 PolarHBondContact O-N 3.14Å; S220-W222 VanDerWaalsContact C-N 3.26Å; S220-W222 PolarHBondContact O-N 3.42Å; W222-L281 HydrophobicContact CH2-CD1 4.43Å; W222-L281 HydrophobicContact CH2-CD2 4.4Å; W222-L281 HydrophobicContact CZ2-CD1 4.42Å; W222-L281 HydrophobicContact CZ2-CD2 4.19Å; W222-W285 VanDerWaalsContact CH2-O 3.29Å; W222-W285 WeakPolarHBondContact CH2-O 3.22Å; W222-W285 HydrophobicContact CZ3-CB 4.2Å; W222-F288 HydrophobicContact CD2-CD1 4.23Å; W222-F288 HydrophobicContact CE3-CB 4.39Å; W222-F288 AromaticContact CE3-CD1 3.52Å; W222-F288 HydrophobicContact CE3-CD1 3.52Å; W222-F288 HydrophobicContact CE3-CE1 4.16Å; W222-F288 HydrophobicContact CE3-CG 4.23Å; W222-F288 HydrophobicContact CZ3-CB 3.9Å; W222-F288 AromaticContact CZ3-CD1 3.92Å; W222-F288 HydrophobicContact CZ3-CD1 3.92Å; W222-F288 HydrophobicContact CZ3-CG 4.22Å; W222-K290 WeakPolarHBondContact O-CE 3.31Å; W222-K290 PolarHBondContact O-NZ 3Å; W222-R406 HydrophobicContact CZ2-CG 4.43Å; W222-R406 PolarHBondContact NE1-O 3.41Å; W222-P409 HydrophobicContact CG-CG 4.29Å
223	L	96.4	Very high	95.7	Very high	18 Å²	18	39.1 Å²	39.1	9%	0.094	19%	0.189	C	C	.	.			trans	-145.7	129.6	-178.6	-66.5	173.5	0	0	0	109.9	I203 T215 D219 P226 F228 F249 F288	I203-L223 HydrophobicContact CD1-CD1 4.45Å; I203-L223 HydrophobicContact CD1-CD2 4.33Å; I203-L223 HydrophobicContact CG1-CD1 4.23Å; T215-L223 HydrophobicContact CG2-CD1 4.14Å; T215-L223 WeakPolarHBondContact OG1-CD1 3.31Å; D219-L223 PolarHBondContact O-N 2.97Å; L223-P226 HydrophobicContact CB-CG 4.14Å; L223-P226 HydrophobicContact CD1-CG 4.43Å; L223-P226 HydrophobicContact CD2-CB 4.39Å; L223-P226 HydrophobicContact CD2-CG 4.35Å; L223-F228 HydrophobicContact CD1-CZ 4.17Å; L223-F249 HydrophobicContact CD2-CD2 4.42Å; L223-F249 HydrophobicContact CD2-CE2 3.7Å; L223-F249 HydrophobicContact CD2-CZ 3.81Å; L223-F288 HydrophobicContact CD2-CZ 4.29Å
224	N	94.6	Very high	95.7	Very high	39 Å²	39	39.1 Å²	39.1	21%	0.209	19%	0.189	C	C	.	.	S	Bend	trans	-122.4	91.9	179.7	-172.6	27.8	0	0	0	111.9	E251 N252 M254	N224-E251 PolarHBondContact N-OE2 2.04Å; N224-E251 WeakPolarHBondContact O-CB 3.31Å; N224-N252 WeakPolarHBondContact ND2-CB 3.03Å; N224-N252 PolarHBondContact ND2-O 3.49Å; N224-N252 PolarHBondContact O-N 2.75Å; N224-M254 HydrophobicContact CB-CG 4.29Å; N224-M254 HydrophobicContact CB-SD 4.11Å; N224-M254 PolarHBondContact ND2-SD 3.12Å
225	D	94.4	Very high	95.5	Very high	58 Å²	58	39.1 Å²	39.1	31%	0.31	19%	0.194	S	C	.	.	S	Bend	trans	50.7	55.3	-176.1	-169.5	30.2	0	0	0	113.5	F201 R227 N252	F201-D225 VanDerWaalsContact CE2-OD1 3.31Å; F201-D225 WeakPolarHBondContact CE2-OD1 2.76Å; D225-R227 VanDerWaalsContact CG-NH2 3.3Å; D225-R227 PolarHBondContact O-NH1 3.32Å; D225-R227 IonicContact OD1-CZ 2.94Å; D225-R227 VanDerWaalsContact OD1-CZ 3.27Å; D225-R227 IonicContact OD1-NH1 2.93Å; D225-R227 PolarHBondContact OD1-NH1 2.87Å; D225-R227 IonicContact OD1-NH2 3.77Å; D225-R227 PolarHBondContact OD1-NH2 3.49Å; D225-R227 IonicContact OD2-CZ 3.74Å; D225-R227 IonicContact OD2-NH1 3.75Å; D225-R227 IonicContact OD2-NH2 3.54Å; D225-R227 PolarHBondContact OD2-NH2 3.12Å; D225-N252 WeakPolarHBondContact CB-ND2 3.48Å; D225-N252 PolarHBondContact OD2-ND2 3.32Å
226	P	96.9	Very high	95.1	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	20%	0.202	C	C	.	.			trans	-71	155.9	-173.8	32.5	-39.1	0	0	0	113.2	F201 L223 F228 F249 R250 E251	F201-P226 HydrophobicContact CB-CG 3.51Å; F201-P226 HydrophobicContact CD1-CG 4.29Å; F201-P226 HydrophobicContact CG-CG 3.88Å; L223-P226 HydrophobicContact CB-CG 4.14Å; L223-P226 HydrophobicContact CD1-CG 4.43Å; L223-P226 HydrophobicContact CD2-CB 4.39Å; L223-P226 HydrophobicContact CD2-CG 4.35Å; P226-F228 HydrophobicContact CB-CE1 4.25Å; P226-F228 HydrophobicContact CB-CE2 4.23Å; P226-F228 HydrophobicContact CB-CZ 3.99Å; P226-F228 HydrophobicContact CG-CE1 4.33Å; P226-F228 HydrophobicContact CG-CE2 3.76Å; P226-F228 HydrophobicContact CG-CZ 3.6Å; P226-F249 HydrophobicContact CB-CD2 3.92Å; P226-R250 CarbonylContact C-O 3.54Å; P226-R250 WeakPolarHBondContact CA-O 3.49Å; P226-E251 HydrophobicContact CB-CB 4.31Å
227	R	97.1	Very high	94.8	Very high	71 Å²	71	42.5 Å²	42.5	27%	0.268	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	108.5	165.6	-55.2	-65.4	174.8	-97.3	-7.9	107.7	D225 F249 R250	D225-R227 VanDerWaalsContact CG-NH2 3.3Å; D225-R227 PolarHBondContact O-NH1 3.32Å; D225-R227 IonicContact OD1-CZ 2.94Å; D225-R227 VanDerWaalsContact OD1-CZ 3.27Å; D225-R227 IonicContact OD1-NH1 2.93Å; D225-R227 PolarHBondContact OD1-NH1 2.87Å; D225-R227 IonicContact OD1-NH2 3.77Å; D225-R227 PolarHBondContact OD1-NH2 3.49Å; D225-R227 IonicContact OD2-CZ 3.74Å; D225-R227 IonicContact OD2-NH1 3.75Å; D225-R227 IonicContact OD2-NH2 3.54Å; D225-R227 PolarHBondContact OD2-NH2 3.12Å; R227-F249 CarbonylContact O-C 3.54Å; R227-F249 VanDerWaalsContact O-CA 3.23Å; R227-F249 WeakPolarHBondContact O-CA 3.38Å; R227-F249 VanDerWaalsContact O-CB 3.29Å; R227-F249 WeakPolarHBondContact O-CB 3.49Å; R227-R250 HydrophobicContact CB-CG 3.82Å; R227-R250 HydrophobicContact CG-CG 4.33Å; R227-R250 PolarHBondContact N-O 3.24Å; R227-R250 PolarHBondContact O-N 3.11Å
228	F	98.1	Very high	94.6	Very high	7 Å²	7	45.4 Å²	45.4	3%	0.031	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	137.9	-175.1	-59	-79	0	0	0	111.6	A180 G191 F201 I203 L223 P226 F249	A180-F228 HydrophobicContact CB-CB 3.77Å; G191-F228 VanDerWaalsContact C-CE2 3.42Å; G191-F228 WeakPolarHBondContact O-CD2 3.47Å; G191-F228 WeakPolarHBondContact O-CG 3.42Å; F201-F228 HydrophobicContact CB-CE2 4.45Å; F201-F228 HydrophobicContact CD1-CE2 4.4Å; I203-F228 HydrophobicContact CD1-CE1 4.3Å; I203-F228 HydrophobicContact CG1-CE1 3.68Å; I203-F228 HydrophobicContact CG1-CZ 4.11Å; L223-F228 HydrophobicContact CD1-CZ 4.17Å; P226-F228 HydrophobicContact CB-CE1 4.25Å; P226-F228 HydrophobicContact CB-CE2 4.23Å; P226-F228 HydrophobicContact CB-CZ 3.99Å; P226-F228 HydrophobicContact CG-CE1 4.33Å; P226-F228 HydrophobicContact CG-CE2 3.76Å; P226-F228 HydrophobicContact CG-CZ 3.6Å; F228-F249 HydrophobicContact CD1-CB 3.83Å; F228-F249 HydrophobicContact CD1-CG 4.26Å; F228-F249 HydrophobicContact CE1-CB 4.44Å; F228-F249 HydrophobicContact CE1-CG 4.43Å; F228-F249 HydrophobicContact CG-CB 4.46Å
229	V	98.1	Very high	94.7	Very high	24 Å²	24	39.4 Å²	39.4	15%	0.145	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	-48.7	-174.1	179	0	0	0	0	111.3	F248 L310 D312 V313	V229-F248 WeakPolarHBondContact CA-O 3.35Å; V229-F248 HydrophobicContact CB-CB 4.4Å; V229-F248 WeakPolarHBondContact CB-O 3.47Å; V229-F248 PolarHBondContact N-O 2.94Å; V229-L310 HydrophobicContact CB-CD2 4.37Å; V229-L310 HydrophobicContact CG2-CD2 4.13Å; V229-L310 HydrophobicContact CG2-CG 4.16Å; V229-D312 VanDerWaalsContact CG1-CA 3.44Å; V229-V313 HydrophobicContact CG1-CG1 4.43Å; V229-V313 HydrophobicContact CG1-CG2 4.26Å
230	G	97.1	Very high	94.7	Very high	9 Å²	9	42.2 Å²	42.2	9%	0.093	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	158.8	-175.5	0	0	0	0	0	114.4	L247 F248	G230-L247 WeakPolarHBondContact O-CA 3.42Å; G230-F248 PolarHBondContact N-O 2.82Å; G230-F248 PolarHBondContact O-N 2.83Å
231	V	98.4	Very high	94.7	Very high	6 Å²	6	42.9 Å²	42.9	4%	0.036	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	125.2	176.3	-177.3	0	0	0	0	109.2	A180 R182 I245 Y246 L247	A180-V231 HydrophobicContact CB-CG2 3.89Å; R182-V231 HydrophobicContact CB-CB 4.04Å; R182-V231 HydrophobicContact CB-CG1 3.96Å; V231-I245 HydrophobicContact CG1-CG2 3.59Å; V231-Y246 WeakPolarHBondContact CA-O 3.1Å; V231-L247 HydrophobicContact CG1-CG 4.39Å; V231-L247 HydrophobicContact CG2-CD2 3.85Å; V231-L247 HydrophobicContact CG2-CG 4.15Å
232	H	97.8	Very high	94.6	Very high	49 Å²	49	38.7 Å²	38.7	23%	0.227	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	138.1	-175.5	-59.8	-89.8	0	0	0	111.8	I234 I245 Y246 F248 L315	H232-I234 HydrophobicContact CB-CG1 4.47Å; H232-I245 WeakPolarHBondContact O-CA 3.45Å; H232-Y246 PolarHBondContact N-O 2.85Å; H232-Y246 PolarHBondContact O-N 3.3Å; H232-F248 AromaticContact CD2-CD2 3.9Å; H232-F248 AromaticContact CD2-CE2 3.77Å; H232-L315 HydrophobicContact CB-CD2 3.87Å
233	L	97.3	Very high	94.6	Very high	65 Å²	65	39.2 Å²	39.2	34%	0.34	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	123.9	166.1	174.3	65.4	0	0	0	108.2	I184 D243 I245 K272	I184-L233 HydrophobicContact CD1-CB 3.91Å; I184-L233 HydrophobicContact CG2-CD2 4.03Å; L233-D243 HydrophobicContact CD1-CB 3.98Å; L233-I245 HydrophobicContact CB-CD1 4.14Å; L233-I245 HydrophobicContact CD1-CD1 3.59Å; L233-I245 HydrophobicContact CG-CD1 4.46Å; L233-K272 HydrophobicContact CD1-CD 4.22Å
234	I	96.7	Very high	94.6	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.015	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	116	172.6	-51.9	176.4	0	0	0	107.3	H232 K244 Y246 L315 P324 M347	H232-I234 HydrophobicContact CB-CG1 4.47Å; I234-K244 PolarHBondContact N-O 2.89Å; I234-K244 PolarHBondContact O-N 3.27Å; I234-Y246 HydrophobicContact CB-CD2 3.74Å; I234-Y246 HydrophobicContact CB-CE2 3.79Å; I234-Y246 HydrophobicContact CD1-CD2 3.68Å; I234-Y246 HydrophobicContact CD1-CE2 4.19Å; I234-Y246 HydrophobicContact CD1-CG 4.13Å; I234-Y246 HydrophobicContact CG1-CD2 3.82Å; I234-Y246 HydrophobicContact CG1-CE2 4.33Å; I234-L315 HydrophobicContact CD1-CD2 3.88Å; I234-L315 HydrophobicContact CG1-CD2 4.29Å; I234-P324 HydrophobicContact CD1-CG 4.05Å; I234-P324 HydrophobicContact CG1-CG 4.46Å; I234-P324 HydrophobicContact CG2-CG 4.13Å; I234-M347 HydrophobicContact CD1-CE 4.11Å; I234-M347 HydrophobicContact CD1-SD 3.75Å; I234-M347 HydrophobicContact CG2-CE 4.08Å
235	P	93.7	Very high	94.8	Very high	39 Å²	39	37.8 Å²	37.8	25%	0.253	20%	0.2	S	C	.	.			trans	-62.5	137.5	175.3	-22.7	34.2	0	0	0	111.3	D243 K322 R351	P235-D243 WeakPolarHBondContact CA-OD1 3.47Å; P235-D243 WeakPolarHBondContact CB-OD1 3.26Å; P235-K322 HydrophobicContact CB-CG 4.24Å; P235-R351 PolarHBondContact O-NH2 2.93Å
236	E	89.9	Confident	95	Very high	38 Å²	38	35 Å²	35	18%	0.178	19%	0.185	C	C	.	.	S	Bend	trans	-82.6	-38.2	175.5	-75.3	-62.3	120.9	0	0	112.1	D242 K244 Y246 R351	E236-D242 HydrophobicContact CB-CB 4.19Å; E236-D242 VanDerWaalsContact CB-O 3.32Å; E236-D242 WeakPolarHBondContact CB-O 3.27Å; E236-D242 WeakPolarHBondContact CG-O 3.35Å; E236-K244 HydrophobicContact CG-CB 4.3Å; E236-K244 HydrophobicContact CG-CD 3.68Å; E236-K244 HydrophobicContact CG-CG 3.8Å; E236-Y246 PolarHBondContact OE1-OH 3.47Å; E236-R351 IonicContact OE1-CZ 2.73Å; E236-R351 IonicContact OE1-NE 2.84Å; E236-R351 PolarHBondContact OE1-NE 3.48Å; E236-R351 IonicContact OE1-NH2 2.63Å; E236-R351 PolarHBondContact OE1-NH2 2.9Å; E236-R351 IonicContact OE2-CZ 3.91Å; E236-R351 IonicContact OE2-NE 3.63Å; E236-R351 PolarHBondContact OE2-NE 3.24Å; E236-R351 IonicContact OE2-NH2 3.38Å
237	N	89.3	Confident	95.1	Very high	48 Å²	48	35 Å²	35	26%	0.257	19%	0.185	S	C	.	.	S	Bend	trans	-152.3	-162.3	179.5	61.6	36.5	0	0	0	110	N239 D242	N237-N239 VanDerWaalsContact C-N 3.29Å; N237-N239 WeakPolarHBondContact OD1-CA 3.48Å; N237-N239 VanDerWaalsContact OD1-CB 3.25Å; N237-N239 WeakPolarHBondContact OD1-CB 3Å; N237-N239 PolarHBondContact OD1-N 2.84Å; N237-N239 PolarHBondContact OD1-O 3.29Å; N237-N239 VanDerWaalsContact OD1-O 3.14Å; N237-D242 PolarHBondContact ND2-OD2 2.7Å; N237-D242 PolarHBondContact OD1-OD2 3.12Å
238	D	90	Very high	95.2	Very high	140 Å²	140	31.7 Å²	31.7	75%	0.749	17%	0.172	S	C	*	.	S	Bend	trans	-78	-10.6	178.2	-65.6	-61.3	0	0	0	113.9	P240 K322	D238-P240 WeakPolarHBondContact O-CD 3.33Å; D238-K322 WeakPolarHBondContact OD1-CE 3.36Å; D238-K322 IonicContact OD1-NZ 3.97Å; D238-K322 PolarHBondContact OD1-NZ 3.02Å; D238-K322 IonicContact OD2-NZ 2.92Å; D238-K322 PolarHBondContact OD2-NZ 2.93Å
239	N	90.8	Very high	95.2	Very high	36 Å²	36	31.4 Å²	31.4	19%	0.193	17%	0.171	C	C	.	.			trans	-89.6	114.1	175.3	-175.3	3.8	0	0	0	110.3	N237 E241 D242 S385 T387	N237-N239 VanDerWaalsContact C-N 3.29Å; N237-N239 WeakPolarHBondContact OD1-CA 3.48Å; N237-N239 VanDerWaalsContact OD1-CB 3.25Å; N237-N239 WeakPolarHBondContact OD1-CB 3Å; N237-N239 PolarHBondContact OD1-N 2.84Å; N237-N239 PolarHBondContact OD1-O 3.29Å; N237-N239 VanDerWaalsContact OD1-O 3.14Å; N239-E241 PolarHBondContact O-N 2.76Å; N239-E241 VanDerWaalsContact O-N 3.11Å; N239-E241 PolarHBondContact OD1-N 2.96Å; N239-E241 VanDerWaalsContact OD1-N 3.11Å; N239-D242 PolarHBondContact O-N 2.85Å; N239-S385 PolarHBondContact ND2-OG 3.13Å; N239-S385 VanDerWaalsContact ND2-OG 3.1Å; N239-T387 PolarHBondContact ND2-OG1 2.77Å
240	P	91.5	Very high	95.2	Very high	84 Å²	84	32 Å²	32	55%	0.545	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-62.9	-17.4	178.8	-21.5	33.3	0	0	0	114.6	D238 D242 D243	D238-P240 WeakPolarHBondContact O-CD 3.33Å; P240-D242 PolarHBondContact O-N 3.18Å; P240-D243 VanDerWaalsContact O-CB 3.28Å; P240-D243 WeakPolarHBondContact O-CB 3.42Å; P240-D243 PolarHBondContact O-N 3.4Å
241	E	92	Very high	95.1	Very high	62 Å²	62	31.7 Å²	31.7	29%	0.29	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-65.9	-23.4	174.1	-65.1	177.8	167.9	0	0	112.2	N239 N273 C383 S385 K386	N239-E241 PolarHBondContact O-N 2.76Å; N239-E241 VanDerWaalsContact O-N 3.11Å; N239-E241 PolarHBondContact OD1-N 2.96Å; N239-E241 VanDerWaalsContact OD1-N 3.11Å; E241-N273 PolarHBondContact O-ND2 3.4Å; E241-C383 WeakPolarHBondContact O-CB 3.45Å; E241-S385 WeakPolarHBondContact OE2-CA 3.23Å; E241-K386 PolarHBondContact OE2-N 3.38Å
242	D	91.8	Very high	94.9	Very high	11 Å²	11	34.1 Å²	34.1	6%	0.059	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-93	1.5	178.8	-62.6	-41.4	0	0	0	112.7	E236 N237 N239 P240 K244 S385	E236-D242 HydrophobicContact CB-CB 4.19Å; E236-D242 VanDerWaalsContact CB-O 3.32Å; E236-D242 WeakPolarHBondContact CB-O 3.27Å; E236-D242 WeakPolarHBondContact CG-O 3.35Å; N237-D242 PolarHBondContact ND2-OD2 2.7Å; N237-D242 PolarHBondContact OD1-OD2 3.12Å; N239-D242 PolarHBondContact O-N 2.85Å; P240-D242 PolarHBondContact O-N 3.18Å; D242-K244 PolarHBondContact O-N 3.33Å; D242-S385 WeakPolarHBondContact OD1-CB 3.44Å; D242-S385 PolarHBondContact OD1-OG 2.95Å; D242-S385 PolarHBondContact OD2-OG 3.45Å
243	D	94.9	Very high	94.4	Very high	15 Å²	15	32.6 Å²	32.6	8%	0.08	18%	0.176	C	C	.	.			trans	-57.8	134.1	178	-81.4	-7.6	0	0	0	111.7	L233 P235 P240 K272	L233-D243 HydrophobicContact CD1-CB 3.98Å; P235-D243 WeakPolarHBondContact CA-OD1 3.47Å; P235-D243 WeakPolarHBondContact CB-OD1 3.26Å; P240-D243 VanDerWaalsContact O-CB 3.28Å; P240-D243 WeakPolarHBondContact O-CB 3.42Å; P240-D243 PolarHBondContact O-N 3.4Å; D243-K272 HydrophobicContact CB-CB 4.05Å; D243-K272 HydrophobicContact CB-CD 3.8Å; D243-K272 VanDerWaalsContact O-CB 3.3Å; D243-K272 WeakPolarHBondContact O-CB 3.1Å; D243-K272 PolarHBondContact O-N 3.48Å; D243-K272 IonicContact OD2-NZ 2.85Å
244	K	97.2	Very high	93.6	Very high	28 Å²	28	31.2 Å²	31.2	12%	0.122	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	145.5	179.6	-71.9	-176.2	-178.3	176.4	0	112.9	I234 E236 D242 Y246 L270	I234-K244 PolarHBondContact N-O 2.89Å; I234-K244 PolarHBondContact O-N 3.27Å; E236-K244 HydrophobicContact CG-CB 4.3Å; E236-K244 HydrophobicContact CG-CD 3.68Å; E236-K244 HydrophobicContact CG-CG 3.8Å; D242-K244 PolarHBondContact O-N 3.33Å; K244-Y246 HydrophobicContact CB-CD2 4.22Å; K244-Y246 HydrophobicContact CB-CE2 3.63Å; K244-L270 CarbonylContact C-O 3.53Å; K244-L270 WeakPolarHBondContact CA-O 3.36Å; K244-L270 WeakPolarHBondContact CB-O 3.48Å
245	I	98.4	Very high	92.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	121.7	168.7	-50.2	-52.3	0	0	0	108.1	I184 Y189 V231 H232 L233 L247 Q269 L270 K272	I184-I245 HydrophobicContact CD1-CD1 3.45Å; I184-I245 VanDerWaalsContact CD1-CD1 3.45Å; Y189-I245 HydrophobicContact CD1-CG1 4.03Å; Y189-I245 HydrophobicContact CD1-CG2 4.18Å; Y189-I245 HydrophobicContact CE1-CG1 3.74Å; Y189-I245 HydrophobicContact CG-CG2 4.43Å; V231-I245 HydrophobicContact CG1-CG2 3.59Å; H232-I245 WeakPolarHBondContact O-CA 3.45Å; L233-I245 HydrophobicContact CB-CD1 4.14Å; L233-I245 HydrophobicContact CD1-CD1 3.59Å; L233-I245 HydrophobicContact CG-CD1 4.46Å; I245-L247 HydrophobicContact CG2-CD1 4.14Å; I245-Q269 CarbonylContact O-C 3.53Å; I245-Q269 WeakPolarHBondContact O-CA 3.44Å; I245-L270 HydrophobicContact CB-CB 4.28Å; I245-L270 PolarHBondContact N-O 3Å; I245-L270 PolarHBondContact O-N 2.94Å; I245-K272 HydrophobicContact CD1-CB 4.47Å
246	Y	98.6	Very high	90.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	133.9	175.5	-70.2	-90.5	0	0	0	110.3	V231 H232 I234 E236 K244 I267 G268 Q269 M347 I350 F354	V231-Y246 WeakPolarHBondContact CA-O 3.1Å; H232-Y246 PolarHBondContact N-O 2.85Å; H232-Y246 PolarHBondContact O-N 3.3Å; I234-Y246 HydrophobicContact CB-CD2 3.74Å; I234-Y246 HydrophobicContact CB-CE2 3.79Å; I234-Y246 HydrophobicContact CD1-CD2 3.68Å; I234-Y246 HydrophobicContact CD1-CE2 4.19Å; I234-Y246 HydrophobicContact CD1-CG 4.13Å; I234-Y246 HydrophobicContact CG1-CD2 3.82Å; I234-Y246 HydrophobicContact CG1-CE2 4.33Å; E236-Y246 PolarHBondContact OE1-OH 3.47Å; K244-Y246 HydrophobicContact CB-CD2 4.22Å; K244-Y246 HydrophobicContact CB-CE2 3.63Å; Y246-I267 HydrophobicContact CD1-CD1 3.74Å; Y246-I267 HydrophobicContact CD1-CG1 4.08Å; Y246-I267 HydrophobicContact CE1-CD1 4.41Å; Y246-G268 CarbonylContact C-O 3.54Å; Y246-G268 VanDerWaalsContact CA-O 3.26Å; Y246-G268 WeakPolarHBondContact CA-O 3.3Å; Y246-Q269 HydrophobicContact CD1-CB 4.2Å; Y246-Q269 HydrophobicContact CE1-CB 4.01Å; Y246-M347 HydrophobicContact CE1-CE 4.16Å; Y246-M347 HydrophobicContact CE2-CE 3.89Å; Y246-I350 HydrophobicContact CE1-CG2 3.9Å; Y246-F354 HydrophobicContact CD1-CE2 4.42Å; Y246-F354 HydrophobicContact CE1-CD2 4.39Å; Y246-F354 AromaticContact CE1-CE2 3.91Å; Y246-F354 HydrophobicContact CE1-CE2 3.91Å
247	L	98.4	Very high	88.8	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	134.5	178.5	-65.2	99.6	0	0	0	110.5	I203 G230 V231 I245 F249 I267 G268 L270	I203-L247 HydrophobicContact CB-CD2 4.22Å; I203-L247 HydrophobicContact CD1-CD1 4.44Å; I203-L247 HydrophobicContact CD1-CD2 3.91Å; I203-L247 HydrophobicContact CG1-CD2 3.82Å; I203-L247 HydrophobicContact CG2-CD1 4.21Å; I203-L247 HydrophobicContact CG2-CD2 3.39Å; I203-L247 HydrophobicContact CG2-CG 4.46Å; G230-L247 WeakPolarHBondContact O-CA 3.42Å; V231-L247 HydrophobicContact CG1-CG 4.39Å; V231-L247 HydrophobicContact CG2-CD2 3.85Å; V231-L247 HydrophobicContact CG2-CG 4.15Å; I245-L247 HydrophobicContact CG2-CD1 4.14Å; L247-F249 HydrophobicContact CB-CD1 4.47Å; L247-I267 CarbonylContact O-C 3.5Å; L247-I267 WeakPolarHBondContact O-CA 3.29Å; L247-G268 PolarHBondContact N-O 2.83Å; L247-G268 PolarHBondContact O-N 3.47Å; L247-L270 HydrophobicContact CD1-CD1 3.71Å; L247-L270 HydrophobicContact CD1-CG 4.1Å
248	F	98.8	Very high	86.8	Confident	1 Å²	1	47.3 Å²	47.3	0%	0.004	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	129	178.7	-62.5	-90.8	0	0	0	109.3	V229 G230 H232 I267 L293 L310 V313 L315 I326	V229-F248 WeakPolarHBondContact CA-O 3.35Å; V229-F248 HydrophobicContact CB-CB 4.4Å; V229-F248 WeakPolarHBondContact CB-O 3.47Å; V229-F248 PolarHBondContact N-O 2.94Å; G230-F248 PolarHBondContact N-O 2.82Å; G230-F248 PolarHBondContact O-N 2.83Å; H232-F248 AromaticContact CD2-CD2 3.9Å; H232-F248 AromaticContact CD2-CE2 3.77Å; F248-I267 HydrophobicContact CD1-CB 4.32Å; F248-I267 HydrophobicContact CD1-CD1 4.37Å; F248-I267 HydrophobicContact CD1-CG1 4.12Å; F248-I267 HydrophobicContact CE1-CB 4.22Å; F248-I267 HydrophobicContact CE1-CD1 3.5Å; F248-I267 HydrophobicContact CE1-CG1 3.74Å; F248-I267 HydrophobicContact CZ-CD1 3.65Å; F248-I267 HydrophobicContact CZ-CG1 4.09Å; F248-L293 HydrophobicContact CD1-CD1 4.09Å; F248-L293 HydrophobicContact CE1-CD1 4.42Å; F248-L310 HydrophobicContact CB-CD2 4.04Å; F248-V313 HydrophobicContact CB-CG1 3.92Å; F248-V313 HydrophobicContact CB-CG2 3.99Å; F248-V313 HydrophobicContact CD1-CG1 3.81Å; F248-V313 HydrophobicContact CD2-CG2 3.85Å; F248-V313 HydrophobicContact CE1-CG1 4.46Å; F248-V313 HydrophobicContact CE2-CG2 4.48Å; F248-V313 HydrophobicContact CG-CB 4.34Å; F248-V313 HydrophobicContact CG-CG1 3.84Å; F248-V313 HydrophobicContact CG-CG2 3.89Å; F248-L315 HydrophobicContact CE2-CD1 4.48Å; F248-I326 HydrophobicContact CE1-CD1 4.47Å; F248-I326 HydrophobicContact CE1-CG2 3.95Å; F248-I326 HydrophobicContact CZ-CD1 3.95Å; F248-I326 HydrophobicContact CZ-CG1 4.36Å; F248-I326 HydrophobicContact CZ-CG2 4.06Å
249	F	98.7	Very high	85.2	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	166.3	-178	60.2	-81.6	0	0	0	110.7	L223 P226 R227 F228 L247 E251 R266 F288 K290	L223-F249 HydrophobicContact CD2-CD2 4.42Å; L223-F249 HydrophobicContact CD2-CE2 3.7Å; L223-F249 HydrophobicContact CD2-CZ 3.81Å; P226-F249 HydrophobicContact CB-CD2 3.92Å; R227-F249 CarbonylContact O-C 3.54Å; R227-F249 VanDerWaalsContact O-CA 3.23Å; R227-F249 WeakPolarHBondContact O-CA 3.38Å; R227-F249 VanDerWaalsContact O-CB 3.29Å; R227-F249 WeakPolarHBondContact O-CB 3.49Å; F228-F249 HydrophobicContact CD1-CB 3.83Å; F228-F249 HydrophobicContact CD1-CG 4.26Å; F228-F249 HydrophobicContact CE1-CB 4.44Å; F228-F249 HydrophobicContact CE1-CG 4.43Å; F228-F249 HydrophobicContact CG-CB 4.46Å; L247-F249 HydrophobicContact CB-CD1 4.47Å; F249-E251 HydrophobicContact CD2-CB 4.27Å; F249-E251 HydrophobicContact CE2-CB 4.31Å; F249-E251 HydrophobicContact CE2-CG 4.27Å; F249-R266 HydrophobicContact CD1-CB 4.2Å; F249-R266 HydrophobicContact CD2-CB 3.92Å; F249-R266 HydrophobicContact CD2-CG 4.26Å; F249-R266 HydrophobicContact CE1-CB 3.89Å; F249-R266 HydrophobicContact CE2-CB 3.61Å; F249-R266 HydrophobicContact CE2-CG 3.78Å; F249-R266 HydrophobicContact CG-CB 4.21Å; F249-R266 HydrophobicContact CZ-CB 3.59Å; F249-R266 HydrophobicContact CZ-CG 4.1Å; F249-R266 PolarHBondContact N-O 2.93Å; F249-R266 VanDerWaalsContact N-O 3.12Å; F249-R266 WeakPolarHBondContact O-CA 3.46Å; F249-R266 PolarHBondContact O-N 2.88Å; F249-R266 VanDerWaalsContact O-O 3.11Å; F249-F288 HydrophobicContact CZ-CZ 4.49Å; F249-K290 HydrophobicContact CZ-CB 4.36Å; F249-K290 HydrophobicContact CZ-CD 4.15Å
250	R	97.7	Very high	83.7	Confident	38 Å²	38	44.4 Å²	44.4	14%	0.143	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	149.1	165.5	62.5	-175.1	-167.3	-111.9	9.5	109.9	P226 R227 T263 Y264 E309 L310 Q311	P226-R250 CarbonylContact C-O 3.54Å; P226-R250 WeakPolarHBondContact CA-O 3.49Å; R227-R250 HydrophobicContact CB-CG 3.82Å; R227-R250 HydrophobicContact CG-CG 4.33Å; R227-R250 PolarHBondContact N-O 3.24Å; R227-R250 PolarHBondContact O-N 3.11Å; R250-T263 HydrophobicContact CB-CG2 3.91Å; R250-T263 HydrophobicContact CG-CG2 4.27Å; R250-Y264 CarbonylContact C-O 3.52Å; R250-Y264 VanDerWaalsContact CA-O 3.29Å; R250-Y264 WeakPolarHBondContact CA-O 3.08Å; R250-E309 WeakPolarHBondContact CD-OE2 3.28Å; R250-E309 IonicContact CZ-OE2 2.91Å; R250-E309 IonicContact NE-OE2 3.37Å; R250-E309 PolarHBondContact NE-OE2 2.72Å; R250-E309 IonicContact NH2-OE2 3.44Å; R250-L310 HydrophobicContact CB-CB 4.46Å; R250-L310 WeakPolarHBondContact CD-O 3.43Å; R250-L310 PolarHBondContact NH1-O 3.42Å; R250-Q311 VanDerWaalsContact NH1-CD 3.33Å
251	E	95.9	Very high	82.7	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.009	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	163.6	-177.9	70.9	176.6	166.5	0	0	110.7	N224 P226 F249 A253 T263 Y264 R266 K290	N224-E251 PolarHBondContact N-OE2 2.04Å; N224-E251 WeakPolarHBondContact O-CB 3.31Å; P226-E251 HydrophobicContact CB-CB 4.31Å; F249-E251 HydrophobicContact CD2-CB 4.27Å; F249-E251 HydrophobicContact CE2-CB 4.31Å; F249-E251 HydrophobicContact CE2-CG 4.27Å; E251-A253 PolarHBondContact O-N 3.16Å; E251-T263 CarbonylContact O-C 3.58Å; E251-T263 WeakPolarHBondContact O-CA 3.06Å; E251-Y264 PolarHBondContact N-O 2.62Å; E251-Y264 PolarHBondContact O-N 3.17Å; E251-R266 HydrophobicContact CG-CG 3.91Å; E251-R266 WeakPolarHBondContact OE1-CG 3.3Å; E251-R266 IonicContact OE1-CZ 3.45Å; E251-R266 IonicContact OE1-NE 2.71Å; E251-R266 PolarHBondContact OE1-NE 2.05Å; E251-R266 IonicContact OE1-NH2 3.09Å; E251-K290 VanDerWaalsContact OE1-CE 3.3Å; E251-K290 WeakPolarHBondContact OE1-CE 3.13Å; E251-K290 IonicContact OE1-NZ 3.39Å; E251-K290 PolarHBondContact OE1-NZ 3.09Å; E251-K290 IonicContact OE2-NZ 3.43Å; E251-K290 PolarHBondContact OE2-NZ 3.19Å
252	N	93.3	Very high	82.4	Confident	57 Å²	57	49.4 Å²	49.4	31%	0.305	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	131.2	174.9	-68.5	-23.1	0	0	0	110.1	N224 D225	N224-N252 WeakPolarHBondContact ND2-CB 3.03Å; N224-N252 PolarHBondContact ND2-O 3.49Å; N224-N252 PolarHBondContact O-N 2.75Å; D225-N252 WeakPolarHBondContact CB-ND2 3.48Å; D225-N252 PolarHBondContact OD2-ND2 3.32Å
253	A	88.6	Confident	82.4	Confident	17 Å²	17	49.8 Å²	49.8	14%	0.14	28%	0.275	C	S	.	.			trans	-60.1	142.5	174.9	0	0	0	0	0	110.8	E251 D255 A262 Y264	E251-A253 PolarHBondContact O-N 3.16Å; A253-D255 VanDerWaalsContact C-N 3.28Å; A253-D255 PolarHBondContact O-N 3.03Å; A253-A262 HydrophobicContact CB-CB 3.85Å; A253-A262 VanDerWaalsContact CB-O 3.28Å; A253-A262 WeakPolarHBondContact CB-O 3.05Å; A253-A262 PolarHBondContact N-O 2.79Å; A253-Y264 HydrophobicContact CB-CD1 4.47Å; A253-Y264 HydrophobicContact CB-CD2 3.6Å; A253-Y264 HydrophobicContact CB-CE1 4.3Å; A253-Y264 HydrophobicContact CB-CE2 3.41Å; A253-Y264 VanDerWaalsContact CB-CE2 3.41Å; A253-Y264 HydrophobicContact CB-CG 4.13Å
254	M	80.3	Confident	82.4	Confident	36 Å²	36	50.8 Å²	50.8	18%	0.177	28%	0.278	C	S	.	.			trans	-96.7	31.7	-179	-75.7	-71	-69.5	0	0	111.5	S220 N224 R361 W368	S220-M254 WeakPolarHBondContact OG-CE 3.15Å; N224-M254 HydrophobicContact CB-CG 4.29Å; N224-M254 HydrophobicContact CB-SD 4.11Å; N224-M254 PolarHBondContact ND2-SD 3.12Å; M254-R361 PolarHBondContact O-NH1 2.69Å; M254-W368 HydrophobicContact CB-CZ2 3.87Å; M254-W368 PolarHBondContact O-NE1 2.97Å; M254-W368 VanDerWaalsContact O-NE1 3.17Å
255	D	70.2	Confident	82.4	Confident	55 Å²	55	49.5 Å²	49.5	29%	0.294	27%	0.272	S	S	.	.			trans	-77.5	146.5	-178	-61.7	-28.2	0	0	0	109.5	A253 A259 Y264	A253-D255 VanDerWaalsContact C-N 3.28Å; A253-D255 PolarHBondContact O-N 3.03Å; D255-A259 HydrophobicContact CB-CB 3.58Å; D255-Y264 PolarHBondContact OD2-OH 2.86Å
256	G	56.7	Low	82.4	Confident	28 Å²	28	50.7 Å²	50.7	29%	0.289	28%	0.277	S	S	.	.			trans	-55.6	166.6	-170.5	0	0	0	0	0	113.9	H258 A259	G256-H258 PolarHBondContact O-N 3.29Å; G256-A259 PolarHBondContact O-N 3.5Å
257	E	52.3	Low	82.4	Confident	195 Å²	195	50.7 Å²	50.7	91%	0.911	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	-15.1	-170.6	-67.2	-178.2	155.2	0	0	116.6
258	H	48.1	Very low	82.5	Confident	188 Å²	188	50.7 Å²	50.7	87%	0.87	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-13.4	-178	-60.4	82.2	0	0	0	114.3	G256	G256-H258 PolarHBondContact O-N 3.29Å
259	A	54.6	Low	82.4	Confident	51 Å²	51	50.7 Å²	50.7	42%	0.421	28%	0.277	S	S	.	.	S	Bend	trans	-88.2	123.9	171	0	0	0	0	0	107.3	D255 G256	D255-A259 HydrophobicContact CB-CB 3.58Å; G256-A259 PolarHBondContact O-N 3.5Å
260	G	59.4	Low	82.4	Confident	64 Å²	64	50.7 Å²	50.7	66%	0.66	28%	0.277	S	S	*	.			trans	-54.7	174	179.3	0	0	0	0	0	113.1	A262	G260-A262 VanDerWaalsContact C-N 3.29Å; G260-A262 PolarHBondContact O-N 3.19Å
261	K	71.6	Confident	82.3	Confident	216 Å²	216	48.9 Å²	48.9	94%	0.939	27%	0.27	S	S	*	.			trans	-64.1	86.6	175.8	-66.5	-177.6	-180	-179.1	0	110.6
262	A	85.2	Confident	82.3	Confident	34 Å²	34	50.7 Å²	50.7	28%	0.281	28%	0.278	S	S	.	.			trans	-88.4	149.1	171.6	0	0	0	0	0	110.1	A253 G260	A253-A262 HydrophobicContact CB-CB 3.85Å; A253-A262 VanDerWaalsContact CB-O 3.28Å; A253-A262 WeakPolarHBondContact CB-O 3.05Å; A253-A262 PolarHBondContact N-O 2.79Å; G260-A262 VanDerWaalsContact C-N 3.29Å; G260-A262 PolarHBondContact O-N 3.19Å
263	T	92.4	Very high	82.4	Confident	20 Å²	20	50.1 Å²	50.1	12%	0.123	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	145.7	170.3	-55.5	0	0	0	0	107.8	R250 E251 D308 E309	R250-T263 HydrophobicContact CB-CG2 3.91Å; R250-T263 HydrophobicContact CG-CG2 4.27Å; E251-T263 CarbonylContact O-C 3.58Å; E251-T263 WeakPolarHBondContact O-CA 3.06Å; T263-D308 WeakPolarHBondContact O-CB 3.06Å; T263-E309 WeakPolarHBondContact CB-OE1 3.46Å; T263-E309 WeakPolarHBondContact CG2-OE1 3.37Å; T263-E309 PolarHBondContact OG1-OE1 3.29Å
264	Y	94.5	Very high	82.8	Confident	36 Å²	36	49.3 Å²	49.3	14%	0.141	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	136	168.1	-69.3	-29.7	0	0	0	111.5	R250 E251 A253 D255 R292	R250-Y264 CarbonylContact C-O 3.52Å; R250-Y264 VanDerWaalsContact CA-O 3.29Å; R250-Y264 WeakPolarHBondContact CA-O 3.08Å; E251-Y264 PolarHBondContact N-O 2.62Å; E251-Y264 PolarHBondContact O-N 3.17Å; A253-Y264 HydrophobicContact CB-CD1 4.47Å; A253-Y264 HydrophobicContact CB-CD2 3.6Å; A253-Y264 HydrophobicContact CB-CE1 4.3Å; A253-Y264 HydrophobicContact CB-CE2 3.41Å; A253-Y264 VanDerWaalsContact CB-CE2 3.41Å; A253-Y264 HydrophobicContact CB-CG 4.13Å; D255-Y264 PolarHBondContact OD2-OH 2.86Å; Y264-R292 VanDerWaalsContact CD1-NE 3.27Å; Y264-R292 VanDerWaalsContact CE1-NH1 3.3Å; Y264-R292 VanDerWaalsContact CE1-NH2 3.26Å; Y264-R292 HydrophobicContact CG-CG 4.49Å
265	A	98.1	Very high	83.5	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	138.4	164.3	0	0	0	0	0	110.8	R292 L293 D308 L310 F330	A265-R292 WeakPolarHBondContact O-CA 3.39Å; A265-L293 HydrophobicContact CB-CB 4.09Å; A265-L293 PolarHBondContact O-N 2.77Å; A265-D308 PolarHBondContact N-O 2.78Å; A265-L310 HydrophobicContact CB-CB 3.84Å; A265-F330 HydrophobicContact CB-CD1 4.21Å; A265-F330 HydrophobicContact CB-CE1 3.59Å
266	R	98.3	Very high	84.8	Confident	26 Å²	26	47.2 Å²	47.2	10%	0.098	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	144.9	-174.2	-62.8	-63.1	-165.7	-175.5	-4.7	111.6	F249 E251 A291	F249-R266 HydrophobicContact CD1-CB 4.2Å; F249-R266 HydrophobicContact CD2-CB 3.92Å; F249-R266 HydrophobicContact CD2-CG 4.26Å; F249-R266 HydrophobicContact CE1-CB 3.89Å; F249-R266 HydrophobicContact CE2-CB 3.61Å; F249-R266 HydrophobicContact CE2-CG 3.78Å; F249-R266 HydrophobicContact CG-CB 4.21Å; F249-R266 HydrophobicContact CZ-CB 3.59Å; F249-R266 HydrophobicContact CZ-CG 4.1Å; F249-R266 PolarHBondContact N-O 2.93Å; F249-R266 VanDerWaalsContact N-O 3.12Å; F249-R266 WeakPolarHBondContact O-CA 3.46Å; F249-R266 PolarHBondContact O-N 2.88Å; F249-R266 VanDerWaalsContact O-O 3.11Å; E251-R266 HydrophobicContact CG-CG 3.91Å; E251-R266 WeakPolarHBondContact OE1-CG 3.3Å; E251-R266 IonicContact OE1-CZ 3.45Å; E251-R266 IonicContact OE1-NE 2.71Å; E251-R266 PolarHBondContact OE1-NE 2.05Å; E251-R266 IonicContact OE1-NH2 3.09Å; R266-A291 VanDerWaalsContact CA-O 3.32Å; R266-A291 WeakPolarHBondContact CA-O 3.42Å; R266-A291 WeakPolarHBondContact CD-O 3.42Å
267	I	98.8	Very high	86.6	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.8	158.4	-171.5	174.6	0	0	0	108.3	Y246 L247 F248 K290 A291 L293 I350 F354 V415	Y246-I267 HydrophobicContact CD1-CD1 3.74Å; Y246-I267 HydrophobicContact CD1-CG1 4.08Å; Y246-I267 HydrophobicContact CE1-CD1 4.41Å; L247-I267 CarbonylContact O-C 3.5Å; L247-I267 WeakPolarHBondContact O-CA 3.29Å; F248-I267 HydrophobicContact CD1-CB 4.32Å; F248-I267 HydrophobicContact CD1-CD1 4.37Å; F248-I267 HydrophobicContact CD1-CG1 4.12Å; F248-I267 HydrophobicContact CE1-CB 4.22Å; F248-I267 HydrophobicContact CE1-CD1 3.5Å; F248-I267 HydrophobicContact CE1-CG1 3.74Å; F248-I267 HydrophobicContact CZ-CD1 3.65Å; F248-I267 HydrophobicContact CZ-CG1 4.09Å; I267-K290 CarbonylContact O-C 3.52Å; I267-K290 VanDerWaalsContact O-CA 3.25Å; I267-K290 WeakPolarHBondContact O-CA 3.15Å; I267-A291 HydrophobicContact CG2-CB 4.18Å; I267-A291 PolarHBondContact N-O 3.44Å; I267-A291 PolarHBondContact O-N 2.78Å; I267-L293 HydrophobicContact CB-CD1 4.09Å; I267-L293 HydrophobicContact CB-CD2 4.42Å; I267-L293 HydrophobicContact CB-CG 4.2Å; I267-L293 HydrophobicContact CG2-CD2 4.15Å; I267-L293 HydrophobicContact CG2-CG 4.16Å; I267-I350 HydrophobicContact CD1-CD1 3.85Å; I267-I350 HydrophobicContact CD1-CG1 4.26Å; I267-I350 HydrophobicContact CD1-CG2 3.84Å; I267-F354 HydrophobicContact CG2-CE2 4.26Å; I267-F354 HydrophobicContact CG2-CZ 4.04Å; I267-V415 HydrophobicContact CG2-CG2 4.36Å
268	G	98.4	Very high	88.6	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	150.9	172.2	0	0	0	0	0	111.3	Y246 L247 L289	Y246-G268 CarbonylContact C-O 3.54Å; Y246-G268 VanDerWaalsContact CA-O 3.26Å; Y246-G268 WeakPolarHBondContact CA-O 3.3Å; L247-G268 PolarHBondContact N-O 2.83Å; L247-G268 PolarHBondContact O-N 3.47Å; G268-L289 CarbonylContact C-O 3.57Å; G268-L289 WeakPolarHBondContact CA-O 3.25Å
269	Q	98	Very high	90.7	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.009	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	150.7	170.4	62.8	151	62.9	0	0	111.3	I245 Y246 F288 L289 F354 G381	I245-Q269 CarbonylContact O-C 3.53Å; I245-Q269 WeakPolarHBondContact O-CA 3.44Å; Y246-Q269 HydrophobicContact CD1-CB 4.2Å; Y246-Q269 HydrophobicContact CE1-CB 4.01Å; Q269-F288 WeakPolarHBondContact O-CA 3.16Å; Q269-L289 HydrophobicContact CG-CB 3.87Å; Q269-L289 PolarHBondContact N-O 3.31Å; Q269-L289 PolarHBondContact O-N 3.41Å; Q269-F354 HydrophobicContact CB-CE1 4.4Å; Q269-F354 HydrophobicContact CB-CE2 4.16Å; Q269-F354 HydrophobicContact CB-CZ 4.06Å; Q269-F354 HydrophobicContact CG-CD1 3.79Å; Q269-F354 HydrophobicContact CG-CD2 4.25Å; Q269-F354 HydrophobicContact CG-CE1 3.67Å; Q269-F354 HydrophobicContact CG-CE2 4.12Å; Q269-F354 HydrophobicContact CG-CG 4.09Å; Q269-F354 HydrophobicContact CG-CZ 3.83Å; Q269-G381 PolarHBondContact NE2-O 2.72Å; Q269-G381 VanDerWaalsContact NE2-O 3.11Å
270	L	97.9	Very high	92.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	146.9	171.7	-65.5	170.7	0	0	0	109	I203 K244 I245 L247 W285 F288	I203-L270 HydrophobicContact CG2-CD1 3.89Å; K244-L270 CarbonylContact C-O 3.53Å; K244-L270 WeakPolarHBondContact CA-O 3.36Å; K244-L270 WeakPolarHBondContact CB-O 3.48Å; I245-L270 HydrophobicContact CB-CB 4.28Å; I245-L270 PolarHBondContact N-O 3Å; I245-L270 PolarHBondContact O-N 2.94Å; L247-L270 HydrophobicContact CD1-CD1 3.71Å; L247-L270 HydrophobicContact CD1-CG 4.1Å; L270-W285 HydrophobicContact CD1-CD2 4.06Å; L270-W285 HydrophobicContact CD1-CE3 4.41Å; L270-W285 HydrophobicContact CD1-CH2 4.26Å; L270-W285 HydrophobicContact CD1-CZ2 3.9Å; L270-W285 HydrophobicContact CD2-CB 3.88Å; L270-W285 HydrophobicContact CD2-CD2 3.62Å; L270-W285 HydrophobicContact CD2-CE3 3.93Å; L270-W285 HydrophobicContact CD2-CG 3.59Å; L270-W285 HydrophobicContact CG-CD2 4.46Å; L270-F288 HydrophobicContact CD2-CB 3.6Å; L270-F288 HydrophobicContact CD2-CD2 3.7Å; L270-F288 HydrophobicContact CD2-CG 4.12Å; L270-F288 HydrophobicContact CG-CD2 4.25Å
271	C	96.8	Very high	94.3	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	132.4	165.9	-66.4	0	0	0	0	110	N273 D274 T287 C383	C271-N273 PolarHBondContact O-N 3.27Å; C271-D274 HydrophobicContact CB-CB 4.37Å; C271-D274 WeakPolarHBondContact O-CB 3.45Å; C271-D274 PolarHBondContact O-N 2.93Å; C271-T287 HydrophobicContact CB-CG2 3.9Å; C271-T287 PolarHBondContact N-OG1 2.83Å; C271-C383 HydrophobicContact CB-CB 3.69Å; C271-C383 WeakPolarHBondContact CB-SG 3.48Å; C271-C383 WeakPolarHBondContact SG-CA 3.39Å; C271-C383 WeakPolarHBondContact SG-CB 3.36Å; C271-C383 PolarHBondContact SG-N 3.03Å; C271-C383 CovalentContact SG-SG 2.04Å; C271-C383 PolarHBondContact SG-SG 3.41Å
272	K	96.1	Very high	95.5	Very high	40 Å²	40	32.3 Å²	32.3	17%	0.174	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-38.4	-178.9	179.5	-175	171.7	-173.5	0	112	D185 Y189 R205 L233 D243 I245 D274	D185-K272 WeakPolarHBondContact OD2-CE 3.48Å; D185-K272 IonicContact OD2-NZ 2.7Å; D185-K272 PolarHBondContact OD2-NZ 3.13Å; Y189-K272 PolarHBondContact OH-O 3.07Å; R205-K272 PolarHBondContact NH1-O 3.47Å; L233-K272 HydrophobicContact CD1-CD 4.22Å; D243-K272 HydrophobicContact CB-CB 4.05Å; D243-K272 HydrophobicContact CB-CD 3.8Å; D243-K272 VanDerWaalsContact O-CB 3.3Å; D243-K272 WeakPolarHBondContact O-CB 3.1Å; D243-K272 PolarHBondContact O-N 3.48Å; D243-K272 IonicContact OD2-NZ 2.85Å; I245-K272 HydrophobicContact CD1-CB 4.47Å; K272-D274 PolarHBondContact O-N 3.45Å
273	N	94.8	Very high	96	Very high	45 Å²	45	33.9 Å²	33.9	24%	0.241	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	12.7	-178.4	66.6	-9.3	0	0	0	114.7	E241 C271 L275 P384	E241-N273 PolarHBondContact O-ND2 3.4Å; C271-N273 PolarHBondContact O-N 3.27Å; N273-L275 PolarHBondContact O-N 3.4Å; N273-P384 PolarHBondContact ND2-O 3.16Å; N273-P384 WeakPolarHBondContact OD1-CD 3.39Å
274	D	96.4	Very high	96.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.168	C	C	.	.			trans	-65.2	125.2	176.9	-172.1	-18.2	0	0	0	110.5	R205 I213 C271 K272 G276 W285 T286 T287 T394	R205-D274 PolarHBondContact NH1-O 2.98Å; R205-D274 PolarHBondContact NH2-O 3.35Å; I213-D274 WeakPolarHBondContact CD1-O 3.29Å; C271-D274 HydrophobicContact CB-CB 4.37Å; C271-D274 WeakPolarHBondContact O-CB 3.45Å; C271-D274 PolarHBondContact O-N 2.93Å; K272-D274 PolarHBondContact O-N 3.45Å; D274-G276 WeakPolarHBondContact OD1-CA 3.23Å; D274-G276 PolarHBondContact OD1-N 3.29Å; D274-W285 HydrophobicContact CB-CE3 3.89Å; D274-W285 HydrophobicContact CB-CZ3 3.96Å; D274-T286 VanDerWaalsContact CG-OG1 3.28Å; D274-T286 PolarHBondContact OD1-N 2.84Å; D274-T286 PolarHBondContact OD1-OG1 3.08Å; D274-T286 PolarHBondContact OD2-N 3.31Å; D274-T286 PolarHBondContact OD2-OG1 3.39Å; D274-T287 HydrophobicContact CB-CG2 4.33Å; D274-T287 WeakPolarHBondContact OD2-CB 3.41Å; D274-T287 WeakPolarHBondContact OD2-CG2 3.31Å; D274-T287 PolarHBondContact OD2-N 2.85Å; D274-T287 PolarHBondContact OD2-OG1 2.81Å; D274-T394 HydrophobicContact CB-CG2 4.16Å; D274-T394 PolarHBondContact OD1-OG1 2.94Å
275	L	95.9	Very high	96.4	Very high	46 Å²	46	33.9 Å²	33.9	24%	0.241	16%	0.161	C	C	.	.			trans	-109.5	8.6	-179.7	-62.6	-174.1	0	0	0	112.7	I213 N273 T394	I213-L275 VanDerWaalsContact CD1-C 3.48Å; N273-L275 PolarHBondContact O-N 3.4Å; L275-T394 PolarHBondContact N-OG1 3.24Å
276	G	96.4	Very high	96.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.163	C	C	.	.			trans	76.2	-178.5	-170.2	0	0	0	0	0	113.2	D274 K284 T286 T394	D274-G276 WeakPolarHBondContact OD1-CA 3.23Å; D274-G276 PolarHBondContact OD1-N 3.29Å; G276-K284 WeakPolarHBondContact CA-O 3.46Å; G276-T286 VanDerWaalsContact C-CG2 3.48Å; G276-T394 PolarHBondContact N-OG1 3.21Å; G276-T394 CarbonylContact O-C 3.53Å; G276-T394 PolarHBondContact O-OG1 3.01Å
277	G	95.6	Very high	96.4	Very high	3 Å²	3	33 Å²	33	3%	0.031	16%	0.159	C	C	.	.			trans	-89.7	161.6	-179.4	0	0	0	0	0	112.8	S280 L281 T286	G277-S280 CarbonylContact C-O 3.58Å; G277-S280 WeakPolarHBondContact CA-O 3.38Å; G277-L281 PolarHBondContact N-O 3.17Å; G277-T286 VanDerWaalsContact N-CG2 3.28Å
278	H	93.9	Very high	96.4	Very high	130 Å²	130	33.1 Å²	33.1	60%	0.602	16%	0.159	S	C	*	.	S	Bend	trans	-78.8	-44.2	-177.8	-179.9	-106.1	0	0	0	113.2	K395	H278-K395 HydrophobicContact CB-CB 4.21Å; H278-K395 VanDerWaalsContact CB-O 3.26Å; H278-K395 WeakPolarHBondContact CB-O 3.36Å
279	R	92	Very high	96.4	Very high	184 Å²	184	33.3 Å²	33.3	69%	0.694	16%	0.16	S	C	*	.	S	Bend	trans	-113.8	-51.7	-179.4	-64.5	177.3	177.5	170.9	-2	112.7	V282 D399	R279-V282 WeakPolarHBondContact O-CG2 3.37Å; R279-D399 IonicContact NH1-OD2 3.58Å
280	S	93.8	Very high	96.4	Very high	29 Å²	29	33.3 Å²	33.3	20%	0.203	16%	0.161	C	C	.	.	S	Bend	trans	-93.6	156.8	169.9	-172.7	0	0	0	0	109.4	G277 V282	G277-S280 CarbonylContact C-O 3.58Å; G277-S280 WeakPolarHBondContact CA-O 3.38Å; S280-V282 PolarHBondContact O-N 3.46Å; S280-V282 VanDerWaalsContact O-N 3.16Å
281	L	95.8	Very high	96.4	Very high	8 Å²	8	33.3 Å²	33.3	4%	0.042	16%	0.161	C	C	.	.	S	Bend	trans	51.8	35.3	-178.3	-60.3	-176.3	0	0	0	114.4	E216 W222 G277 N283 K284 W285 T286 V402 R406	E216-L281 WeakPolarHBondContact OE2-CD2 3.2Å; W222-L281 HydrophobicContact CH2-CD1 4.43Å; W222-L281 HydrophobicContact CH2-CD2 4.4Å; W222-L281 HydrophobicContact CZ2-CD1 4.42Å; W222-L281 HydrophobicContact CZ2-CD2 4.19Å; G277-L281 PolarHBondContact N-O 3.17Å; L281-N283 PolarHBondContact O-N 3.18Å; L281-K284 HydrophobicContact CB-CB 4.03Å; L281-K284 HydrophobicContact CD2-CB 4.01Å; L281-K284 HydrophobicContact CD2-CD 3.93Å; L281-K284 PolarHBondContact O-N 3.15Å; L281-K284 VanDerWaalsContact O-O 3.06Å; L281-W285 WeakPolarHBondContact CD1-O 3Å; L281-T286 HydrophobicContact CB-CG2 4.07Å; L281-T286 HydrophobicContact CD1-CG2 4.19Å; L281-V402 HydrophobicContact CB-CG1 3.99Å; L281-V402 HydrophobicContact CD1-CG1 3.75Å; L281-V402 HydrophobicContact CG-CG1 3.83Å; L281-R406 HydrophobicContact CD1-CB 4.09Å; L281-R406 HydrophobicContact CD2-CB 4.31Å; L281-R406 HydrophobicContact CD2-CG 3.97Å; L281-R406 HydrophobicContact CG-CB 4.43Å
282	V	96.4	Very high	96.5	Very high	75 Å²	75	35.6 Å²	35.6	46%	0.455	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	127.1	173.6	-177.7	0	0	0	0	109.3	R279 S280 K284	R279-V282 WeakPolarHBondContact O-CG2 3.37Å; S280-V282 PolarHBondContact O-N 3.46Å; S280-V282 VanDerWaalsContact O-N 3.16Å; V282-K284 PolarHBondContact O-N 3.12Å
283	N	95.9	Very high	96.6	Very high	67 Å²	67	33.8 Å²	33.8	36%	0.358	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	27.8	-173.4	-58	-34.9	0	0	0	113.4	H211 I213 R214 L281	H211-N283 WeakPolarHBondContact CB-OD1 3.21Å; I213-N283 WeakPolarHBondContact CA-O 3.46Å; R214-N283 PolarHBondContact N-O 3.26Å; R214-N283 VanDerWaalsContact N-O 3.15Å; L281-N283 PolarHBondContact O-N 3.18Å
284	K	97.9	Very high	96.7	Very high	56 Å²	56	32 Å²	32	24%	0.243	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-126.5	150.4	173.1	-64.6	172.1	-176	163.4	0	110.2	R214 E216 G276 L281 V282 T286	R214-K284 WeakPolarHBondContact O-CA 3.35Å; R214-K284 WeakPolarHBondContact O-CB 3.47Å; E216-K284 IonicContact OE1-NZ 2.75Å; E216-K284 PolarHBondContact OE1-NZ 2.87Å; G276-K284 WeakPolarHBondContact CA-O 3.46Å; L281-K284 HydrophobicContact CB-CB 4.03Å; L281-K284 HydrophobicContact CD2-CB 4.01Å; L281-K284 HydrophobicContact CD2-CD 3.93Å; L281-K284 PolarHBondContact O-N 3.15Å; L281-K284 VanDerWaalsContact O-O 3.06Å; V282-K284 PolarHBondContact O-N 3.12Å; K284-T286 PolarHBondContact O-N 3.22Å
285	W	98.1	Very high	96.8	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.152	C	C	.	.			trans	-57.9	137.9	178.2	-60.4	114.2	0	0	0	110.8	Y189 I203 R205 I213 R214 W222 L270 D274 L281 F288	Y189-W285 HydrophobicContact CD1-CH2 4.28Å; Y189-W285 AromaticContact CE1-CH2 3.81Å; Y189-W285 HydrophobicContact CE1-CH2 3.81Å; Y189-W285 HydrophobicContact CE1-CZ2 4.48Å; I203-W285 PolarHBondContact O-NE1 3.45Å; R205-W285 HydrophobicContact CB-CH2 3.48Å; R205-W285 VanDerWaalsContact CB-CH2 3.48Å; R205-W285 HydrophobicContact CB-CZ2 3.58Å; R205-W285 HydrophobicContact CG-CH2 4.33Å; I213-W285 HydrophobicContact CB-CD2 4.44Å; I213-W285 HydrophobicContact CB-CH2 4.25Å; I213-W285 HydrophobicContact CB-CZ2 4.17Å; I213-W285 HydrophobicContact CB-CZ3 4.41Å; I213-W285 HydrophobicContact CD1-CZ3 4.43Å; I213-W285 HydrophobicContact CG2-CD2 3.41Å; I213-W285 VanDerWaalsContact CG2-CD2 3.41Å; I213-W285 HydrophobicContact CG2-CE3 3.63Å; I213-W285 HydrophobicContact CG2-CG 3.86Å; I213-W285 HydrophobicContact CG2-CH2 4.18Å; I213-W285 HydrophobicContact CG2-CZ2 3.99Å; I213-W285 HydrophobicContact CG2-CZ3 4.01Å; R214-W285 PolarHBondContact O-N 3.03Å; W222-W285 VanDerWaalsContact CH2-O 3.29Å; W222-W285 WeakPolarHBondContact CH2-O 3.22Å; W222-W285 HydrophobicContact CZ3-CB 4.2Å; L270-W285 HydrophobicContact CD1-CD2 4.06Å; L270-W285 HydrophobicContact CD1-CE3 4.41Å; L270-W285 HydrophobicContact CD1-CH2 4.26Å; L270-W285 HydrophobicContact CD1-CZ2 3.9Å; L270-W285 HydrophobicContact CD2-CB 3.88Å; L270-W285 HydrophobicContact CD2-CD2 3.62Å; L270-W285 HydrophobicContact CD2-CE3 3.93Å; L270-W285 HydrophobicContact CD2-CG 3.59Å; L270-W285 HydrophobicContact CG-CD2 4.46Å; D274-W285 HydrophobicContact CB-CE3 3.89Å; D274-W285 HydrophobicContact CB-CZ3 3.96Å; L281-W285 WeakPolarHBondContact CD1-O 3Å; W285-F288 HydrophobicContact CB-CB 3.94Å
286	T	97.5	Very high	96.7	Very high	6 Å²	6	30 Å²	30	4%	0.037	14%	0.141	C	C	.	.	S	Bend	trans	-105.7	-15.3	172.8	55.7	0	0	0	0	112.1	D274 G276 G277 L281 K284 T394 V402 A405	D274-T286 VanDerWaalsContact CG-OG1 3.28Å; D274-T286 PolarHBondContact OD1-N 2.84Å; D274-T286 PolarHBondContact OD1-OG1 3.08Å; D274-T286 PolarHBondContact OD2-N 3.31Å; D274-T286 PolarHBondContact OD2-OG1 3.39Å; G276-T286 VanDerWaalsContact C-CG2 3.48Å; G277-T286 VanDerWaalsContact N-CG2 3.28Å; L281-T286 HydrophobicContact CB-CG2 4.07Å; L281-T286 HydrophobicContact CD1-CG2 4.19Å; K284-T286 PolarHBondContact O-N 3.22Å; T286-T394 WeakPolarHBondContact OG1-CB 3.48Å; T286-T394 WeakPolarHBondContact OG1-CG2 3.25Å; T286-V402 HydrophobicContact CG2-CG1 4.44Å; T286-A405 WeakPolarHBondContact O-CB 3.31Å
287	T	97.7	Very high	96.5	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	16%	0.156	C	C	.	.	S	Bend	trans	-110	5.2	-173.5	60.6	0	0	0	0	114.1	C271 D274 L289 T394	C271-T287 HydrophobicContact CB-CG2 3.9Å; C271-T287 PolarHBondContact N-OG1 2.83Å; D274-T287 HydrophobicContact CB-CG2 4.33Å; D274-T287 WeakPolarHBondContact OD2-CB 3.41Å; D274-T287 WeakPolarHBondContact OD2-CG2 3.31Å; D274-T287 PolarHBondContact OD2-N 2.85Å; D274-T287 PolarHBondContact OD2-OG1 2.81Å; T287-L289 PolarHBondContact O-N 3Å; T287-T394 HydrophobicContact CG2-CG2 4.19Å
288	F	98.6	Very high	96.1	Very high	3 Å²	3	36 Å²	36	1%	0.013	18%	0.179	C	C	.	.			trans	-66.9	122.4	-178.9	-179.4	-111.1	0	0	0	112.2	I203 W222 L223 F249 Q269 L270 W285 K290 P409	I203-F288 HydrophobicContact CD1-CD2 4.2Å; I203-F288 HydrophobicContact CD1-CE2 3.45Å; I203-F288 VanDerWaalsContact CD1-CE2 3.45Å; I203-F288 HydrophobicContact CD1-CZ 3.94Å; W222-F288 HydrophobicContact CD2-CD1 4.23Å; W222-F288 HydrophobicContact CE3-CB 4.39Å; W222-F288 AromaticContact CE3-CD1 3.52Å; W222-F288 HydrophobicContact CE3-CD1 3.52Å; W222-F288 HydrophobicContact CE3-CE1 4.16Å; W222-F288 HydrophobicContact CE3-CG 4.23Å; W222-F288 HydrophobicContact CZ3-CB 3.9Å; W222-F288 AromaticContact CZ3-CD1 3.92Å; W222-F288 HydrophobicContact CZ3-CD1 3.92Å; W222-F288 HydrophobicContact CZ3-CG 4.22Å; L223-F288 HydrophobicContact CD2-CZ 4.29Å; F249-F288 HydrophobicContact CZ-CZ 4.49Å; Q269-F288 WeakPolarHBondContact O-CA 3.16Å; L270-F288 HydrophobicContact CD2-CB 3.6Å; L270-F288 HydrophobicContact CD2-CD2 3.7Å; L270-F288 HydrophobicContact CD2-CG 4.12Å; L270-F288 HydrophobicContact CG-CD2 4.25Å; W285-F288 HydrophobicContact CB-CB 3.94Å; F288-K290 HydrophobicContact CZ-CB 4.27Å; F288-K290 HydrophobicContact CZ-CD 4.48Å; F288-P409 HydrophobicContact CD1-CB 4.08Å; F288-P409 HydrophobicContact CE1-CB 4.32Å
289	L	98.7	Very high	95.5	Very high	4 Å²	4	31 Å²	31	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	153.5	168.8	-63.1	175.9	0	0	0	110.4	G268 Q269 T287 F354 Y358 P409 M411	G268-L289 CarbonylContact C-O 3.57Å; G268-L289 WeakPolarHBondContact CA-O 3.25Å; Q269-L289 HydrophobicContact CG-CB 3.87Å; Q269-L289 PolarHBondContact N-O 3.31Å; Q269-L289 PolarHBondContact O-N 3.41Å; T287-L289 PolarHBondContact O-N 3Å; L289-F354 HydrophobicContact CB-CD1 3.9Å; L289-F354 HydrophobicContact CB-CE1 3.93Å; L289-F354 HydrophobicContact CD1-CD1 4.42Å; L289-Y358 HydrophobicContact CD1-CE1 4.2Å; L289-Y358 HydrophobicContact CD2-CD1 4.22Å; L289-Y358 HydrophobicContact CD2-CE1 3.76Å; L289-P409 CarbonylContact C-O 3.59Å; L289-P409 WeakPolarHBondContact CA-O 3.25Å; L289-M411 HydrophobicContact CB-SD 4.34Å; L289-M411 HydrophobicContact CD1-SD 3.95Å; L289-M411 HydrophobicContact CD2-SD 4.17Å; L289-M411 HydrophobicContact CG-SD 4.4Å
290	K	98.5	Very high	95	Very high	3 Å²	3	29 Å²	29	1%	0.013	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	145.3	173.2	68.5	-179.1	179.5	-176.2	0	113.1	R221 W222 F249 E251 I267 F288 P409 A410 M411	R221-K290 WeakPolarHBondContact O-CE 3.19Å; R221-K290 PolarHBondContact O-NZ 2.98Å; W222-K290 WeakPolarHBondContact O-CE 3.31Å; W222-K290 PolarHBondContact O-NZ 3Å; F249-K290 HydrophobicContact CZ-CB 4.36Å; F249-K290 HydrophobicContact CZ-CD 4.15Å; E251-K290 VanDerWaalsContact OE1-CE 3.3Å; E251-K290 WeakPolarHBondContact OE1-CE 3.13Å; E251-K290 IonicContact OE1-NZ 3.39Å; E251-K290 PolarHBondContact OE1-NZ 3.09Å; E251-K290 IonicContact OE2-NZ 3.43Å; E251-K290 PolarHBondContact OE2-NZ 3.19Å; I267-K290 CarbonylContact O-C 3.52Å; I267-K290 VanDerWaalsContact O-CA 3.25Å; I267-K290 WeakPolarHBondContact O-CA 3.15Å; F288-K290 HydrophobicContact CZ-CB 4.27Å; F288-K290 HydrophobicContact CZ-CD 4.48Å; K290-P409 PolarHBondContact N-O 2.69Å; K290-A410 HydrophobicContact CG-CB 4.26Å; K290-A410 CarbonylContact O-C 3.54Å; K290-A410 WeakPolarHBondContact O-CA 3.31Å; K290-M411 PolarHBondContact O-N 2.83Å
291	A	98.4	Very high	94.3	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	153.8	174.4	0	0	0	0	0	110.5	R266 I267 A353 F354 M411 V415	R266-A291 VanDerWaalsContact CA-O 3.32Å; R266-A291 WeakPolarHBondContact CA-O 3.42Å; R266-A291 WeakPolarHBondContact CD-O 3.42Å; I267-A291 HydrophobicContact CG2-CB 4.18Å; I267-A291 PolarHBondContact N-O 3.44Å; I267-A291 PolarHBondContact O-N 2.78Å; A291-A353 HydrophobicContact CB-CB 4.4Å; A291-F354 HydrophobicContact CB-CE1 4.12Å; A291-F354 HydrophobicContact CB-CZ 4.27Å; A291-M411 HydrophobicContact CB-CB 4.14Å; A291-M411 HydrophobicContact CB-CG 4.3Å; A291-V415 HydrophobicContact CB-CG2 4.19Å
292	R	97.6	Very high	93.4	Very high	47 Å²	47	35.7 Å²	35.7	18%	0.177	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	133.9	173.9	-175.9	172.5	177.1	-167.7	-2	109.7	Y264 A265 I294 D308 P414 V415	Y264-R292 VanDerWaalsContact CD1-NE 3.27Å; Y264-R292 VanDerWaalsContact CE1-NH1 3.3Å; Y264-R292 VanDerWaalsContact CE1-NH2 3.26Å; Y264-R292 HydrophobicContact CG-CG 4.49Å; A265-R292 WeakPolarHBondContact O-CA 3.39Å; R292-I294 HydrophobicContact CG-CD1 3.91Å; R292-I294 VanDerWaalsContact CZ-CD1 3.49Å; R292-I294 VanDerWaalsContact NE-CD1 3.26Å; R292-D308 IonicContact CZ-OD1 2.87Å; R292-D308 IonicContact NE-OD1 3.64Å; R292-D308 IonicContact NH2-OD1 3.45Å; R292-D308 PolarHBondContact NH2-OD1 3.05Å; R292-D308 IonicContact NH2-OD2 3.53Å; R292-P414 HydrophobicContact CB-CB 4.2Å; R292-P414 CarbonylContact O-C 3.44Å; R292-P414 WeakPolarHBondContact O-CA 3.45Å; R292-V415 PolarHBondContact O-N 2.88Å
293	L	98.3	Very high	92.8	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.016	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-92.1	130.6	165.3	-71	166.1	0	0	0	108.6	F248 A265 I267 F330 Y345 V415	F248-L293 HydrophobicContact CD1-CD1 4.09Å; F248-L293 HydrophobicContact CE1-CD1 4.42Å; A265-L293 HydrophobicContact CB-CB 4.09Å; A265-L293 PolarHBondContact O-N 2.77Å; I267-L293 HydrophobicContact CB-CD1 4.09Å; I267-L293 HydrophobicContact CB-CD2 4.42Å; I267-L293 HydrophobicContact CB-CG 4.2Å; I267-L293 HydrophobicContact CG2-CD2 4.15Å; I267-L293 HydrophobicContact CG2-CG 4.16Å; L293-F330 HydrophobicContact CB-CZ 4.49Å; L293-Y345 HydrophobicContact CB-CE1 4.5Å; L293-Y345 HydrophobicContact CD2-CD1 3.91Å; L293-Y345 HydrophobicContact CD2-CD2 4.42Å; L293-Y345 HydrophobicContact CD2-CE1 3.8Å; L293-Y345 HydrophobicContact CD2-CE2 4.34Å; L293-Y345 HydrophobicContact CD2-CG 4.21Å; L293-V415 HydrophobicContact CD2-CB 3.91Å; L293-V415 HydrophobicContact CD2-CG1 4.05Å
294	I	97.5	Very high	92.4	Very high	6 Å²	6	37.2 Å²	37.2	3%	0.031	23%	0.23	C	C	.	.			trans	-105.3	126.3	177.2	-60.2	-68.5	0	0	0	108.9	R292 Y345 P414 V415 Y416 P417	R292-I294 HydrophobicContact CG-CD1 3.91Å; R292-I294 VanDerWaalsContact CZ-CD1 3.49Å; R292-I294 VanDerWaalsContact NE-CD1 3.26Å; I294-Y345 PolarHBondContact O-OH 2.71Å; I294-P414 HydrophobicContact CD1-CB 4.22Å; I294-P414 HydrophobicContact CG1-CB 3.62Å; I294-P414 HydrophobicContact CG1-CG 4.21Å; I294-V415 PolarHBondContact N-O 2.78Å; I294-Y416 HydrophobicContact CB-CD1 3.94Å; I294-Y416 HydrophobicContact CB-CE1 4.09Å; I294-Y416 HydrophobicContact CG1-CD1 4.33Å; I294-Y416 HydrophobicContact CG1-CE1 4.11Å; I294-Y416 HydrophobicContact CG2-CD1 3.86Å; I294-Y416 HydrophobicContact CG2-CE1 3.78Å; I294-P417 VanDerWaalsContact O-CD 3.23Å; I294-P417 WeakPolarHBondContact O-CD 3.12Å
295	C	97.3	Very high	92.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	24%	0.24	C	C	.	.			trans	-129	105.1	164	-167	0	0	0	0	107.5	F307 F330 C343	C295-F307 PolarHBondContact O-N 2.89Å; C295-F330 HydrophobicContact CB-CB 4.37Å; C295-F330 HydrophobicContact CB-CD1 4.05Å; C295-F330 HydrophobicContact CB-CD2 3.68Å; C295-F330 HydrophobicContact CB-CE1 4.23Å; C295-F330 HydrophobicContact CB-CE2 3.91Å; C295-F330 HydrophobicContact CB-CG 3.77Å; C295-F330 HydrophobicContact CB-CZ 4.18Å; C295-C343 WeakPolarHBondContact CA-SG 3.32Å; C295-C343 HydrophobicContact CB-CB 3.9Å; C295-C343 WeakPolarHBondContact CB-SG 3.03Å; C295-C343 WeakPolarHBondContact SG-CB 3.49Å; C295-C343 CovalentContact SG-SG 2.05Å; C295-C343 PolarHBondContact SG-SG 2.79Å
296	S	94.9	Very high	91.8	Very high	4 Å²	4	41.5 Å²	41.5	3%	0.028	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	152.5	-176.4	58.4	0	0	0	0	112.8	D304 T305 P422	S296-D304 PolarHBondContact OG-OD2 3.08Å; S296-T305 CarbonylContact C-O 3.54Å; S296-T305 WeakPolarHBondContact CA-O 3.36Å; S296-T305 VanDerWaalsContact CB-O 3.31Å; S296-T305 WeakPolarHBondContact CB-O 3.45Å; S296-P422 WeakPolarHBondContact O-CD 3.44Å
297	V	91.9	Very high	91.7	Very high	49 Å²	49	41.3 Å²	41.3	30%	0.297	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	122.1	170.4	178.8	0	0	0	0	108.2	G299 D304 T305 F307 P422 V425	V297-G299 PolarHBondContact O-N 2.89Å; V297-D304 WeakPolarHBondContact O-CA 3.35Å; V297-T305 PolarHBondContact N-O 3.28Å; V297-T305 PolarHBondContact O-N 3.49Å; V297-F307 HydrophobicContact CG2-CE2 4.04Å; V297-P422 HydrophobicContact CG2-CG 3.6Å; V297-V425 HydrophobicContact CG2-CG1 4.41Å; V297-V425 HydrophobicContact CG2-CG2 3.72Å
298	P	87	Confident	91.6	Very high	82 Å²	82	42.1 Å²	42.1	53%	0.532	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-62.3	125	176.2	-20.6	31.6	0	0	0	111.5	D304	P298-D304 WeakPolarHBondContact CA-OD1 3.18Å
299	G	82.2	Confident	91.4	Very high	25 Å²	25	43.4 Å²	43.4	26%	0.258	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-80.5	151.6	176.4	0	0	0	0	0	112.6	V297 N301 G302 I303	V297-G299 PolarHBondContact O-N 2.89Å; G299-N301 PolarHBondContact O-N 2.89Å; G299-G302 PolarHBondContact O-N 2.78Å; G299-I303 WeakPolarHBondContact CA-O 3.47Å; G299-I303 PolarHBondContact N-O 2.94Å; G299-I303 VanDerWaalsContact N-O 3.15Å
300	S	79.9	Confident	91.4	Very high	140 Å²	140	43.2 Å²	43.2	98%	0.979	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-23.6	175.9	54.7	0	0	0	0	113.6	G302	S300-G302 VanDerWaalsContact C-N 3.31Å
301	N	79.2	Confident	91.4	Very high	115 Å²	115	45.2 Å²	45.2	62%	0.615	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	5.9	173.5	62.4	-8.2	0	0	0	113.3	G299 I303	G299-N301 PolarHBondContact O-N 2.89Å; N301-I303 VanDerWaalsContact C-N 3.27Å; N301-I303 PolarHBondContact O-N 2.97Å; N301-I303 PolarHBondContact OD1-N 2.69Å; N301-I303 VanDerWaalsContact OD1-N 3.1Å
302	G	77.8	Confident	91.4	Very high	63 Å²	63	46.2 Å²	46.2	65%	0.649	28%	0.279	S	S	*	.	S	Bend	trans	76.8	7.1	-176.3	0	0	0	0	0	114.8	G299 S300	G299-G302 PolarHBondContact O-N 2.78Å; S300-G302 VanDerWaalsContact C-N 3.31Å
303	I	83.7	Confident	91.5	Very high	115 Å²	115	44.7 Å²	44.7	59%	0.59	27%	0.274	S	S	*	.			trans	-100.4	119.4	173.6	-57.8	177.4	0	0	0	108.8	G299 N301	G299-I303 WeakPolarHBondContact CA-O 3.47Å; G299-I303 PolarHBondContact N-O 2.94Å; G299-I303 VanDerWaalsContact N-O 3.15Å; N301-I303 VanDerWaalsContact C-N 3.27Å; N301-I303 PolarHBondContact O-N 2.97Å; N301-I303 PolarHBondContact OD1-N 2.69Å; N301-I303 VanDerWaalsContact OD1-N 3.1Å
304	D	88.6	Confident	91.4	Very high	59 Å²	59	47 Å²	47	32%	0.316	28%	0.284	S	S	.	.			trans	-73.1	135.7	178.2	-76.7	12.9	0	0	0	111.6	S296 V297 P298 H306	S296-D304 PolarHBondContact OG-OD2 3.08Å; V297-D304 WeakPolarHBondContact O-CA 3.35Å; P298-D304 WeakPolarHBondContact CA-OD1 3.18Å; D304-H306 PolarHBondContact O-CD2 3.24Å
305	T	90.1	Very high	91.4	Very high	77 Å²	77	48.3 Å²	48.3	47%	0.472	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	110.4	167.5	-57.9	0	0	0	0	108.9	S296 V297 F307	S296-T305 CarbonylContact C-O 3.54Å; S296-T305 WeakPolarHBondContact CA-O 3.36Å; S296-T305 VanDerWaalsContact CB-O 3.31Å; S296-T305 WeakPolarHBondContact CB-O 3.45Å; V297-T305 PolarHBondContact N-O 3.28Å; V297-T305 PolarHBondContact O-N 3.49Å; T305-F307 HydrophobicContact CG2-CE2 4.28Å; T305-F307 HydrophobicContact CG2-CZ 4.45Å
306	H	92.3	Very high	91.2	Very high	69 Å²	69	49 Å²	49	32%	0.319	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	142	-178	-69.3	-87.2	0	0	0	113.4	D304 D308	D304-H306 PolarHBondContact O-CD2 3.24Å; H306-D308 VanDerWaalsContact CB-OD2 3.32Å; H306-D308 WeakPolarHBondContact CB-OD2 3.13Å
307	F	95.7	Very high	90.9	Very high	2 Å²	2	53 Å²	53	1%	0.009	32%	0.323	C	S	.	.			trans	-114.3	85.6	168.9	-57.9	-100.2	0	0	0	107.6	C295 V297 T305 F330 T331 T332 A341 V425 T427	C295-F307 PolarHBondContact O-N 2.89Å; V297-F307 HydrophobicContact CG2-CE2 4.04Å; T305-F307 HydrophobicContact CG2-CE2 4.28Å; T305-F307 HydrophobicContact CG2-CZ 4.45Å; F307-F330 HydrophobicContact CB-CB 3.57Å; F307-F330 WeakPolarHBondContact O-CB 3.41Å; F307-F330 WeakPolarHBondContact O-CD1 3.46Å; F307-T331 CarbonylContact C-O 3.37Å; F307-T331 WeakPolarHBondContact CA-O 3.48Å; F307-T332 HydrophobicContact CD1-CG2 3.78Å; F307-T332 HydrophobicContact CE1-CG2 3.8Å; F307-A341 HydrophobicContact CB-CB 4.23Å; F307-A341 HydrophobicContact CD1-CB 3.77Å; F307-A341 HydrophobicContact CD2-CB 3.77Å; F307-A341 HydrophobicContact CE1-CB 4.01Å; F307-A341 HydrophobicContact CE2-CB 4.03Å; F307-A341 HydrophobicContact CG-CB 3.65Å; F307-A341 HydrophobicContact CZ-CB 4.15Å; F307-V425 HydrophobicContact CZ-CG1 3.92Å; F307-T427 HydrophobicContact CZ-CG2 4.35Å
308	D	94.3	Very high	90.7	Very high	19 Å²	19	53.4 Å²	53.4	10%	0.102	33%	0.326	C	S	.	.			trans	-92.5	-9.8	-171.7	-69.3	-61.5	0	0	0	114	T263 A265 R292 H306 L310 T331	T263-D308 WeakPolarHBondContact O-CB 3.06Å; A265-D308 PolarHBondContact N-O 2.78Å; R292-D308 IonicContact CZ-OD1 2.87Å; R292-D308 IonicContact NE-OD1 3.64Å; R292-D308 IonicContact NH2-OD1 3.45Å; R292-D308 PolarHBondContact NH2-OD1 3.05Å; R292-D308 IonicContact NH2-OD2 3.53Å; H306-D308 VanDerWaalsContact CB-OD2 3.32Å; H306-D308 WeakPolarHBondContact CB-OD2 3.13Å; D308-L310 PolarHBondContact O-N 2.96Å; D308-T331 PolarHBondContact N-O 2.83Å
309	E	96.4	Very high	90.7	Very high	30 Å²	30	60.1 Å²	60.1	14%	0.14	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	86.9	179.5	-62.5	-68.6	150.8	0	0	111.2	R250 T263 Q311 F330 T331 S333	R250-E309 WeakPolarHBondContact CD-OE2 3.28Å; R250-E309 IonicContact CZ-OE2 2.91Å; R250-E309 IonicContact NE-OE2 3.37Å; R250-E309 PolarHBondContact NE-OE2 2.72Å; R250-E309 IonicContact NH2-OE2 3.44Å; T263-E309 WeakPolarHBondContact CB-OE1 3.46Å; T263-E309 WeakPolarHBondContact CG2-OE1 3.37Å; T263-E309 PolarHBondContact OG1-OE1 3.29Å; E309-Q311 PolarHBondContact O-N 2.97Å; E309-Q311 PolarHBondContact O-NE2 3.44Å; E309-F330 CarbonylContact O-C 3.54Å; E309-F330 WeakPolarHBondContact O-CA 3.4Å; E309-T331 WeakPolarHBondContact CB-O 3.32Å; E309-T331 VanDerWaalsContact CB-OG1 3.25Å; E309-T331 WeakPolarHBondContact CB-OG1 3.25Å; E309-T331 PolarHBondContact N-O 3.22Å; E309-T331 VanDerWaalsContact N-O 3.08Å; E309-T331 PolarHBondContact O-N 2.95Å; E309-S333 WeakPolarHBondContact CG-OG 3.38Å; E309-S333 PolarHBondContact OE1-OG 2.8Å; E309-S333 VanDerWaalsContact OE1-OG 3.05Å
310	L	98.4	Very high	91.1	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	119.2	174.9	-179.3	71.3	0	0	0	111.6	V229 F248 R250 A265 D308 V313 F330	V229-L310 HydrophobicContact CB-CD2 4.37Å; V229-L310 HydrophobicContact CG2-CD2 4.13Å; V229-L310 HydrophobicContact CG2-CG 4.16Å; F248-L310 HydrophobicContact CB-CD2 4.04Å; R250-L310 HydrophobicContact CB-CB 4.46Å; R250-L310 WeakPolarHBondContact CD-O 3.43Å; R250-L310 PolarHBondContact NH1-O 3.42Å; A265-L310 HydrophobicContact CB-CB 3.84Å; D308-L310 PolarHBondContact O-N 2.96Å; L310-V313 HydrophobicContact CD1-CG1 3.88Å; L310-V313 HydrophobicContact CD2-CG1 4.1Å; L310-V313 HydrophobicContact CG-CG1 4.39Å; L310-F330 HydrophobicContact CB-CD1 4.13Å; L310-F330 HydrophobicContact CB-CE1 4.01Å; L310-F330 HydrophobicContact CD1-CD1 4.05Å; L310-F330 HydrophobicContact CD1-CD2 4.47Å; L310-F330 HydrophobicContact CD1-CE1 3.57Å; L310-F330 HydrophobicContact CD1-CE2 4Å; L310-F330 HydrophobicContact CD1-CG 4.48Å; L310-F330 HydrophobicContact CD1-CZ 3.52Å; L310-F330 HydrophobicContact CG-CE1 4.36Å
311	Q	98.2	Very high	91.5	Very high	45 Å²	45	59.4 Å²	59.4	21%	0.21	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-38.7	-178.8	-56.8	-55.1	-26.8	0	0	113.8	R250 E309 V329 T331	R250-Q311 VanDerWaalsContact NH1-CD 3.33Å; E309-Q311 PolarHBondContact O-N 2.97Å; E309-Q311 PolarHBondContact O-NE2 3.44Å; Q311-V329 HydrophobicContact CB-CG1 4.27Å; Q311-V329 PolarHBondContact N-O 3.43Å; Q311-T331 HydrophobicContact CG-CG2 3.74Å; Q311-T331 PolarHBondContact NE2-OG1 3.03Å
312	D	98.6	Very high	92.1	Very high	21 Å²	21	55.9 Å²	55.9	11%	0.112	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	158.2	-176.4	-149.3	32.7	0	0	0	112	V229 G328 V329 K435 M436	V229-D312 VanDerWaalsContact CG1-CA 3.44Å; D312-G328 WeakPolarHBondContact O-CA 3.48Å; D312-V329 HydrophobicContact CB-CB 4.16Å; D312-V329 HydrophobicContact CB-CG2 4.17Å; D312-V329 PolarHBondContact O-N 2.76Å; D312-K435 HydrophobicContact CB-CD 4.12Å; D312-K435 WeakPolarHBondContact OD1-CD 3.42Å; D312-K435 IonicContact OD1-NZ 2.95Å; D312-K435 PolarHBondContact OD1-NZ 3.43Å; D312-K435 WeakPolarHBondContact OD2-CA 3.44Å; D312-K435 VanDerWaalsContact OD2-CD 3.25Å; D312-K435 WeakPolarHBondContact OD2-CD 3.43Å; D312-M436 PolarHBondContact OD2-N 2.94Å
313	V	98.3	Very high	93	Very high	14 Å²	14	54.7 Å²	54.7	9%	0.085	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	141.4	173.1	-64.2	0	0	0	0	110.8	V229 F248 L310 Y327	V229-V313 HydrophobicContact CG1-CG1 4.43Å; V229-V313 HydrophobicContact CG1-CG2 4.26Å; F248-V313 HydrophobicContact CB-CG1 3.92Å; F248-V313 HydrophobicContact CB-CG2 3.99Å; F248-V313 HydrophobicContact CD1-CG1 3.81Å; F248-V313 HydrophobicContact CD2-CG2 3.85Å; F248-V313 HydrophobicContact CE1-CG1 4.46Å; F248-V313 HydrophobicContact CE2-CG2 4.48Å; F248-V313 HydrophobicContact CG-CB 4.34Å; F248-V313 HydrophobicContact CG-CG1 3.84Å; F248-V313 HydrophobicContact CG-CG2 3.89Å; L310-V313 HydrophobicContact CD1-CG1 3.88Å; L310-V313 HydrophobicContact CD2-CG1 4.1Å; L310-V313 HydrophobicContact CG-CG1 4.39Å; V313-Y327 CarbonylContact C-O 3.58Å; V313-Y327 VanDerWaalsContact CA-O 3.25Å; V313-Y327 WeakPolarHBondContact CA-O 3.19Å
314	F	97.8	Very high	93.6	Very high	51 Å²	51	49.5 Å²	49.5	22%	0.224	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	134.1	176.3	-171.3	-94.3	0	0	0	110.1	I316 Y327 V437 V438	F314-I316 HydrophobicContact CD1-CG1 4.01Å; F314-I316 HydrophobicContact CE1-CD1 4.39Å; F314-I316 HydrophobicContact CE1-CG1 3.7Å; F314-Y327 PolarHBondContact N-O 2.98Å; F314-Y327 PolarHBondContact O-N 2.59Å; F314-V437 HydrophobicContact CD2-CB 4.26Å; F314-V437 HydrophobicContact CD2-CG1 4.17Å; F314-V437 HydrophobicContact CE2-CB 4Å; F314-V437 HydrophobicContact CE2-CG1 4.04Å; F314-V438 HydrophobicContact CD1-CB 3.79Å; F314-V438 HydrophobicContact CD1-CG2 3.79Å; F314-V438 HydrophobicContact CE1-CB 3.81Å; F314-V438 HydrophobicContact CE1-CG2 4.32Å; F314-V438 WeakPolarHBondContact CE1-O 3.36Å; F314-V438 HydrophobicContact CG-CG2 4.42Å; F314-V438 WeakPolarHBondContact CZ-O 3.26Å
315	L	96.6	Very high	93.9	Very high	35 Å²	35	48.2 Å²	48.2	18%	0.183	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	123.9	-176.8	-83.1	66.4	0	0	0	109.6	H232 I234 F248 P324 I326	H232-L315 HydrophobicContact CB-CD2 3.87Å; I234-L315 HydrophobicContact CD1-CD2 3.88Å; I234-L315 HydrophobicContact CG1-CD2 4.29Å; F248-L315 HydrophobicContact CE2-CD1 4.48Å; L315-P324 HydrophobicContact CD2-CG 4.39Å; L315-I326 HydrophobicContact CD1-CG1 4.05Å; L315-I326 HydrophobicContact CD1-CG2 4.33Å; L315-I326 HydrophobicContact CD2-CG1 4.38Å; L315-I326 HydrophobicContact CG-CG1 3.79Å
316	I	93.2	Very high	94.3	Very high	14 Å²	14	44.6 Å²	44.6	7%	0.072	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	117.6	168.9	-73.1	177.2	0	0	0	108.6	F314 T318 P324 V325 Y327 V438	F314-I316 HydrophobicContact CD1-CG1 4.01Å; F314-I316 HydrophobicContact CE1-CD1 4.39Å; F314-I316 HydrophobicContact CE1-CG1 3.7Å; I316-T318 PolarHBondContact O-N 3.21Å; I316-P324 CarbonylContact O-C 3.58Å; I316-P324 VanDerWaalsContact O-CA 3.23Å; I316-P324 WeakPolarHBondContact O-CA 3.49Å; I316-P324 WeakPolarHBondContact O-CB 3.48Å; I316-V325 PolarHBondContact N-O 2.67Å; I316-V325 PolarHBondContact O-N 2.84Å; I316-Y327 HydrophobicContact CD1-CD2 4.29Å; I316-Y327 HydrophobicContact CD1-CE2 3.67Å; I316-Y327 HydrophobicContact CG1-CE2 4.27Å; I316-V438 HydrophobicContact CD1-CB 3.56Å; I316-V438 HydrophobicContact CD1-CG1 3.39Å; I316-V438 HydrophobicContact CD1-CG2 4.48Å; I316-V438 HydrophobicContact CG1-CB 4.32Å
317	S	89.1	Confident	94.6	Very high	89 Å²	89	41.4 Å²	41.4	62%	0.622	22%	0.222	S	C	*	.			trans	-62.6	130.5	168.7	-65.8	0	0	0	0	110.1
318	T	87.6	Confident	94.7	Very high	57 Å²	57	41.3 Å²	41.3	35%	0.35	22%	0.222	S	C	.	.			trans	-89.5	-171.6	170.4	70.1	0	0	0	0	109.6	I316 D320 S323 V325	I316-T318 PolarHBondContact O-N 3.21Å; T318-D320 PolarHBondContact O-N 3.15Å; T318-D320 PolarHBondContact OG1-N 2.67Å; T318-D320 PolarHBondContact OG1-O 3.08Å; T318-S323 WeakPolarHBondContact CG2-O 3.32Å; T318-S323 PolarHBondContact OG1-O 3.44Å; T318-V325 HydrophobicContact CG2-CG2 3.89Å
319	K	87.1	Confident	94.9	Very high	222 Å²	222	40.4 Å²	40.4	97%	0.965	22%	0.217	S	C	*	.	S	Bend	trans	-57.2	-27.8	170.7	-68	-177.5	179.3	179.7	0	112.1
320	D	89.9	Confident	95	Very high	67 Å²	67	39 Å²	39	36%	0.358	21%	0.211	S	C	.	.	S	Bend	trans	-103.1	111.4	172.4	178.5	13.9	0	0	0	109.8	T318 K322 S323	T318-D320 PolarHBondContact O-N 3.15Å; T318-D320 PolarHBondContact OG1-N 2.67Å; T318-D320 PolarHBondContact OG1-O 3.08Å; D320-K322 PolarHBondContact O-N 3.2Å; D320-K322 VanDerWaalsContact O-N 3.11Å; D320-K322 VanDerWaalsContact OD1-CB 3.29Å; D320-K322 WeakPolarHBondContact OD1-CB 3.42Å; D320-K322 WeakPolarHBondContact OD1-CG 3.28Å; D320-K322 PolarHBondContact OD1-N 3.12Å; D320-S323 CarbonylContact O-C 3.53Å; D320-S323 PolarHBondContact O-N 3.22Å
321	P	88.6	Confident	94.9	Very high	84 Å²	84	39.2 Å²	39.2	55%	0.545	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-16.8	178.8	28	-35.4	0	0	0	113.1	S323	P321-S323 VanDerWaalsContact C-N 3.26Å
322	K	92.6	Very high	94.6	Very high	40 Å²	40	38 Å²	38	17%	0.174	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-8.7	175.9	-55.2	160.2	-173.4	167.4	0	112.5	P235 D238 D320 R351	P235-K322 HydrophobicContact CB-CG 4.24Å; D238-K322 WeakPolarHBondContact OD1-CE 3.36Å; D238-K322 IonicContact OD1-NZ 3.97Å; D238-K322 PolarHBondContact OD1-NZ 3.02Å; D238-K322 IonicContact OD2-NZ 2.92Å; D238-K322 PolarHBondContact OD2-NZ 2.93Å; D320-K322 PolarHBondContact O-N 3.2Å; D320-K322 VanDerWaalsContact O-N 3.11Å; D320-K322 VanDerWaalsContact OD1-CB 3.29Å; D320-K322 WeakPolarHBondContact OD1-CB 3.42Å; D320-K322 WeakPolarHBondContact OD1-CG 3.28Å; D320-K322 PolarHBondContact OD1-N 3.12Å; K322-R351 PolarHBondContact O-NH1 3.34Å; K322-R351 VanDerWaalsContact O-NH1 3.14Å; K322-R351 PolarHBondContact O-NH2 2.73Å
323	S	95.4	Very high	94.1	Very high	39 Å²	39	39.6 Å²	39.6	27%	0.273	22%	0.221	S	C	.	.	S	Bend	trans	-135.4	63	-178.7	-171.4	0	0	0	0	111.6	T318 D320 P321	T318-S323 WeakPolarHBondContact CG2-O 3.32Å; T318-S323 PolarHBondContact OG1-O 3.44Å; D320-S323 CarbonylContact O-C 3.53Å; D320-S323 PolarHBondContact O-N 3.22Å; P321-S323 VanDerWaalsContact C-N 3.26Å
324	P	96.3	Very high	93.3	Very high	6 Å²	6	41.2 Å²	41.2	4%	0.039	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-62.8	156.9	169.5	28.7	-37.4	0	0	0	111.7	I234 L315 I316 M347	I234-P324 HydrophobicContact CD1-CG 4.05Å; I234-P324 HydrophobicContact CG1-CG 4.46Å; I234-P324 HydrophobicContact CG2-CG 4.13Å; L315-P324 HydrophobicContact CD2-CG 4.39Å; I316-P324 CarbonylContact O-C 3.58Å; I316-P324 VanDerWaalsContact O-CA 3.23Å; I316-P324 WeakPolarHBondContact O-CA 3.49Å; I316-P324 WeakPolarHBondContact O-CB 3.48Å; P324-M347 HydrophobicContact CG-CG 3.94Å; P324-M347 WeakPolarHBondContact O-CG 3.46Å
325	V	95.6	Very high	92.1	Very high	31 Å²	31	46.7 Å²	46.7	19%	0.188	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	130.5	165.4	178.5	0	0	0	0	108	I316 T318 Y327 M344	I316-V325 PolarHBondContact N-O 2.67Å; I316-V325 PolarHBondContact O-N 2.84Å; T318-V325 HydrophobicContact CG2-CG2 3.89Å; V325-Y327 HydrophobicContact CB-CE2 4.47Å; V325-Y327 HydrophobicContact CG1-CD2 4.2Å; V325-Y327 HydrophobicContact CG1-CE2 3.84Å; V325-M344 HydrophobicContact CG1-CB 4.42Å; V325-M344 HydrophobicContact CG1-CE 3.71Å
326	I	97.9	Very high	91.3	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.01	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	121	-179.7	-66.2	151.1	0	0	0	108.6	F248 L315 M344 Y345 M347 I350	F248-I326 HydrophobicContact CE1-CD1 4.47Å; F248-I326 HydrophobicContact CE1-CG2 3.95Å; F248-I326 HydrophobicContact CZ-CD1 3.95Å; F248-I326 HydrophobicContact CZ-CG1 4.36Å; F248-I326 HydrophobicContact CZ-CG2 4.06Å; L315-I326 HydrophobicContact CD1-CG1 4.05Å; L315-I326 HydrophobicContact CD1-CG2 4.33Å; L315-I326 HydrophobicContact CD2-CG1 4.38Å; L315-I326 HydrophobicContact CG-CG1 3.79Å; I326-M344 CarbonylContact O-C 3.59Å; I326-M344 WeakPolarHBondContact O-CA 3.22Å; I326-Y345 PolarHBondContact N-O 2.87Å; I326-Y345 PolarHBondContact O-N 2.9Å; I326-M347 HydrophobicContact CD1-SD 3.61Å; I326-I350 HydrophobicContact CD1-CD1 3.27Å
327	Y	98.1	Very high	90.7	Very high	1 Å²	1	57.2 Å²	57.2	0%	0.004	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	134.7	168.8	-71.4	-104	0	0	0	109.4	V313 F314 I316 V325 V342 C343 M344 I423 M436 V438 D449 M451	V313-Y327 CarbonylContact C-O 3.58Å; V313-Y327 VanDerWaalsContact CA-O 3.25Å; V313-Y327 WeakPolarHBondContact CA-O 3.19Å; F314-Y327 PolarHBondContact N-O 2.98Å; F314-Y327 PolarHBondContact O-N 2.59Å; I316-Y327 HydrophobicContact CD1-CD2 4.29Å; I316-Y327 HydrophobicContact CD1-CE2 3.67Å; I316-Y327 HydrophobicContact CG1-CE2 4.27Å; V325-Y327 HydrophobicContact CB-CE2 4.47Å; V325-Y327 HydrophobicContact CG1-CD2 4.2Å; V325-Y327 HydrophobicContact CG1-CE2 3.84Å; Y327-V342 HydrophobicContact CD1-CG1 4.21Å; Y327-C343 WeakPolarHBondContact CA-O 3.44Å; Y327-M344 HydrophobicContact CD1-CG 3.62Å; Y327-M344 HydrophobicContact CD1-SD 4.44Å; Y327-M344 HydrophobicContact CE1-CE 4.15Å; Y327-M344 HydrophobicContact CE1-CG 3.4Å; Y327-M344 HydrophobicContact CE1-SD 3.63Å; Y327-M344 HydrophobicContact CE2-CE 4.24Å; Y327-M344 HydrophobicContact CE2-CG 4.41Å; Y327-M344 HydrophobicContact CG-CG 4.22Å; Y327-M344 WeakPolarHBondContact OH-CE 3.44Å; Y327-I423 HydrophobicContact CD1-CD1 4.04Å; Y327-I423 HydrophobicContact CE1-CD1 3.72Å; Y327-M436 HydrophobicContact CD1-CE 4.14Å; Y327-M436 HydrophobicContact CG-CE 4.15Å; Y327-V438 HydrophobicContact CD1-CG2 4.32Å; Y327-V438 HydrophobicContact CD2-CG2 4.41Å; Y327-V438 HydrophobicContact CG-CG2 4.23Å; Y327-D449 PolarHBondContact OH-OD2 3.13Å; Y327-M451 HydrophobicContact CD1-SD 4.41Å; Y327-M451 HydrophobicContact CE1-SD 4.13Å
328	G	98.4	Very high	90.6	Very high	1 Å²	1	57 Å²	57	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	136.4	174.4	0	0	0	0	0	111.5	D312 F330 V342 C343	D312-G328 WeakPolarHBondContact O-CA 3.48Å; G328-F330 VanDerWaalsContact C-CE2 3.45Å; G328-F330 VanDerWaalsContact O-CD2 3.3Å; G328-F330 WeakPolarHBondContact O-CD2 3.21Å; G328-F330 WeakPolarHBondContact O-CE2 3.41Å; G328-V342 WeakPolarHBondContact O-CA 3.35Å; G328-C343 PolarHBondContact N-O 2.98Å; G328-C343 PolarHBondContact O-N 2.75Å
329	V	98.7	Very high	90.9	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	125.1	173.9	-179.4	0	0	0	0	108.6	Q311 D312 F433 M436	Q311-V329 HydrophobicContact CB-CG1 4.27Å; Q311-V329 PolarHBondContact N-O 3.43Å; D312-V329 HydrophobicContact CB-CB 4.16Å; D312-V329 HydrophobicContact CB-CG2 4.17Å; D312-V329 PolarHBondContact O-N 2.76Å; V329-F433 HydrophobicContact CG1-CB 3.4Å; V329-F433 HydrophobicContact CG1-CD2 4.32Å; V329-F433 HydrophobicContact CG1-CG 4.38Å; V329-M436 HydrophobicContact CG2-CB 3.55Å; V329-M436 HydrophobicContact CG2-CE 3.8Å; V329-M436 HydrophobicContact CG2-CG 4.45Å; V329-M436 HydrophobicContact CG2-SD 4.1Å
330	F	98.4	Very high	91.4	Very high	1 Å²	1	43.7 Å²	43.7	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	148.8	-176.3	-60.5	-98.5	0	0	0	110.9	A265 L293 C295 F307 E309 L310 G328 S340 A341 C343 Y345	A265-F330 HydrophobicContact CB-CD1 4.21Å; A265-F330 HydrophobicContact CB-CE1 3.59Å; L293-F330 HydrophobicContact CB-CZ 4.49Å; C295-F330 HydrophobicContact CB-CB 4.37Å; C295-F330 HydrophobicContact CB-CD1 4.05Å; C295-F330 HydrophobicContact CB-CD2 3.68Å; C295-F330 HydrophobicContact CB-CE1 4.23Å; C295-F330 HydrophobicContact CB-CE2 3.91Å; C295-F330 HydrophobicContact CB-CG 3.77Å; C295-F330 HydrophobicContact CB-CZ 4.18Å; F307-F330 HydrophobicContact CB-CB 3.57Å; F307-F330 WeakPolarHBondContact O-CB 3.41Å; F307-F330 WeakPolarHBondContact O-CD1 3.46Å; E309-F330 CarbonylContact O-C 3.54Å; E309-F330 WeakPolarHBondContact O-CA 3.4Å; L310-F330 HydrophobicContact CB-CD1 4.13Å; L310-F330 HydrophobicContact CB-CE1 4.01Å; L310-F330 HydrophobicContact CD1-CD1 4.05Å; L310-F330 HydrophobicContact CD1-CD2 4.47Å; L310-F330 HydrophobicContact CD1-CE1 3.57Å; L310-F330 HydrophobicContact CD1-CE2 4Å; L310-F330 HydrophobicContact CD1-CG 4.48Å; L310-F330 HydrophobicContact CD1-CZ 3.52Å; L310-F330 HydrophobicContact CG-CE1 4.36Å; G328-F330 VanDerWaalsContact C-CE2 3.45Å; G328-F330 VanDerWaalsContact O-CD2 3.3Å; G328-F330 WeakPolarHBondContact O-CD2 3.21Å; G328-F330 WeakPolarHBondContact O-CE2 3.41Å; F330-S340 CarbonylContact O-C 3.56Å; F330-S340 VanDerWaalsContact O-CA 3.25Å; F330-S340 WeakPolarHBondContact O-CA 3.41Å; F330-A341 PolarHBondContact N-O 3.39Å; F330-A341 PolarHBondContact O-N 3.5Å; F330-C343 HydrophobicContact CD2-CB 4.28Å; F330-C343 HydrophobicContact CE2-CB 3.91Å; F330-Y345 AromaticContact CE2-CE2 3.89Å; F330-Y345 HydrophobicContact CE2-CE2 3.89Å; F330-Y345 WeakPolarHBondContact CE2-OH 3.15Å; F330-Y345 AromaticContact CZ-CE2 3.88Å; F330-Y345 HydrophobicContact CZ-CE2 3.88Å; F330-Y345 AromaticContact CZ-CZ 3.9Å; F330-Y345 WeakPolarHBondContact CZ-OH 3.47Å
331	T	96.7	Very high	91.7	Very high	4 Å²	4	40.5 Å²	40.5	3%	0.025	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	164.6	168.5	63.7	0	0	0	0	111.2	F307 D308 E309 Q311 G339 Q432	F307-T331 CarbonylContact C-O 3.37Å; F307-T331 WeakPolarHBondContact CA-O 3.48Å; D308-T331 PolarHBondContact N-O 2.83Å; E309-T331 WeakPolarHBondContact CB-O 3.32Å; E309-T331 VanDerWaalsContact CB-OG1 3.25Å; E309-T331 WeakPolarHBondContact CB-OG1 3.25Å; E309-T331 PolarHBondContact N-O 3.22Å; E309-T331 VanDerWaalsContact N-O 3.08Å; E309-T331 PolarHBondContact O-N 2.95Å; Q311-T331 HydrophobicContact CG-CG2 3.74Å; Q311-T331 PolarHBondContact NE2-OG1 3.03Å; T331-G339 CarbonylContact C-O 3.47Å; T331-G339 WeakPolarHBondContact CA-O 3.33Å; T331-G339 WeakPolarHBondContact CB-O 3.02Å; T331-Q432 HydrophobicContact CG2-CB 4Å; T331-Q432 HydrophobicContact CG2-CG 4.38Å
332	T	92.9	Very high	92.1	Very high	20 Å²	20	36.5 Å²	36.5	12%	0.123	20%	0.2	C	C	.	.			trans	-69.4	145.5	171	48.8	0	0	0	0	110.7	F307 S334 F337 G339	F307-T332 HydrophobicContact CD1-CG2 3.78Å; F307-T332 HydrophobicContact CE1-CG2 3.8Å; T332-S334 PolarHBondContact O-N 2.79Å; T332-F337 WeakPolarHBondContact CB-O 3.25Å; T332-F337 PolarHBondContact OG1-O 2.84Å; T332-G339 PolarHBondContact N-O 2.84Å; T332-G339 PolarHBondContact OG1-N 2.79Å; T332-G339 PolarHBondContact OG1-O 2.93Å
333	S	87.2	Confident	92.3	Very high	54 Å²	54	34.6 Å²	34.6	38%	0.378	19%	0.192	S	C	.	.	S	Bend	trans	-76.7	-10.7	172.6	-60.1	0	0	0	0	113.3	E309	E309-S333 WeakPolarHBondContact CG-OG 3.38Å; E309-S333 PolarHBondContact OE1-OG 2.8Å; E309-S333 VanDerWaalsContact OE1-OG 3.05Å
334	S	81.8	Confident	92.4	Very high	48 Å²	48	33.8 Å²	33.8	34%	0.336	18%	0.184	S	C	.	.			trans	-78.5	128.8	178.8	-179.2	0	0	0	0	111.2	T332 V336 F337	T332-S334 PolarHBondContact O-N 2.79Å; S334-V336 PolarHBondContact O-N 2.91Å; S334-V336 PolarHBondContact OG-N 3.08Å; S334-F337 PolarHBondContact OG-N 2.92Å
335	N	72.6	Confident	92.4	Very high	165 Å²	165	33.6 Å²	33.6	88%	0.882	18%	0.182	S	C	*	.	S	Bend	trans	-74.4	-14.6	172.3	-65.2	-34.6	0	0	0	113.2
336	V	78.7	Confident	92.5	Very high	119 Å²	119	33.3 Å²	33.3	72%	0.721	18%	0.182	S	C	*	.	S	Bend	trans	-93.4	-41.5	-179.1	-178.6	0	0	0	0	110.7	S334	S334-V336 PolarHBondContact O-N 2.91Å; S334-V336 PolarHBondContact OG-N 3.08Å
337	F	81.8	Confident	92.4	Very high	152 Å²	152	33.2 Å²	33.2	67%	0.667	18%	0.181	S	C	*	.	S	Bend	trans	-100.9	100.6	179.1	-62.4	-70.1	0	0	0	109.3	T332 S334 G339	T332-F337 WeakPolarHBondContact CB-O 3.25Å; T332-F337 PolarHBondContact OG1-O 2.84Å; S334-F337 PolarHBondContact OG-N 2.92Å; F337-G339 PolarHBondContact O-N 2.99Å
338	K	87.1	Confident	92.3	Very high	83 Å²	83	35.8 Å²	35.8	36%	0.361	20%	0.203	S	C	.	.			trans	-77.7	107.2	173	-67.5	-172.3	178.5	-162.5	0	109.2	D430 Q432	K338-D430 WeakPolarHBondContact CD-O 3.4Å; K338-D430 PolarHBondContact NZ-O 2.84Å; K338-Q432 HydrophobicContact CB-CG 4.16Å; K338-Q432 HydrophobicContact CD-CG 4.41Å; K338-Q432 HydrophobicContact CG-CG 4.34Å
339	G	93.2	Very high	92.3	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.01	21%	0.213	C	C	.	.			trans	-128	145.9	172	0	0	0	0	0	110.5	T331 T332 F337 K426	T331-G339 CarbonylContact C-O 3.47Å; T331-G339 WeakPolarHBondContact CA-O 3.33Å; T331-G339 WeakPolarHBondContact CB-O 3.02Å; T332-G339 PolarHBondContact N-O 2.84Å; T332-G339 PolarHBondContact OG1-N 2.79Å; T332-G339 PolarHBondContact OG1-O 2.93Å; F337-G339 PolarHBondContact O-N 2.99Å; G339-K426 CarbonylContact C-O 3.51Å; G339-K426 VanDerWaalsContact CA-O 3.29Å; G339-K426 WeakPolarHBondContact CA-O 3.42Å
340	S	96.9	Very high	92.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	147.1	171.7	-51.7	0	0	0	0	110.5	F330 K426 Q432 F433	F330-S340 CarbonylContact O-C 3.56Å; F330-S340 VanDerWaalsContact O-CA 3.25Å; F330-S340 WeakPolarHBondContact O-CA 3.41Å; S340-K426 PolarHBondContact N-O 2.82Å; S340-K426 PolarHBondContact O-N 2.76Å; S340-Q432 WeakPolarHBondContact OG-CA 3.38Å; S340-F433 VanDerWaalsContact CB-CD2 3.42Å; S340-F433 VanDerWaalsContact CB-CG 3.43Å; S340-F433 PolarHBondContact OG-N 2.04Å
341	A	96.9	Very high	92.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	152	175.9	0	0	0	0	0	111.2	F307 F330 P422 I424	F307-A341 HydrophobicContact CB-CB 4.23Å; F307-A341 HydrophobicContact CD1-CB 3.77Å; F307-A341 HydrophobicContact CD2-CB 3.77Å; F307-A341 HydrophobicContact CE1-CB 4.01Å; F307-A341 HydrophobicContact CE2-CB 4.03Å; F307-A341 HydrophobicContact CG-CB 3.65Å; F307-A341 HydrophobicContact CZ-CB 4.15Å; F330-A341 PolarHBondContact N-O 3.39Å; F330-A341 PolarHBondContact O-N 3.5Å; A341-P422 HydrophobicContact CB-CB 4.12Å; A341-I424 CarbonylContact C-O 3.48Å; A341-I424 WeakPolarHBondContact CA-O 3.17Å
342	V	97.7	Very high	92.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128.1	168.7	-176.9	0	0	0	0	108.5	Y327 G328 P422 I423 I424 F433 M436 I453	Y327-V342 HydrophobicContact CD1-CG1 4.21Å; G328-V342 WeakPolarHBondContact O-CA 3.35Å; V342-P422 CarbonylContact O-C 3.58Å; V342-P422 WeakPolarHBondContact O-CA 3.36Å; V342-P422 WeakPolarHBondContact O-CB 3.26Å; V342-I423 HydrophobicContact CB-CD1 4.33Å; V342-I423 HydrophobicContact CB-CG1 3.97Å; V342-I423 HydrophobicContact CG1-CD1 3.81Å; V342-I423 HydrophobicContact CG1-CG1 3.88Å; V342-I423 WeakPolarHBondContact O-CG1 3.46Å; V342-I423 PolarHBondContact O-N 2.84Å; V342-I424 HydrophobicContact CB-CB 4.12Å; V342-I424 HydrophobicContact CB-CD1 4.39Å; V342-I424 HydrophobicContact CB-CG1 4.48Å; V342-I424 HydrophobicContact CG2-CB 4.25Å; V342-I424 HydrophobicContact CG2-CD1 4.26Å; V342-I424 PolarHBondContact N-O 2.91Å; V342-I424 PolarHBondContact O-N 2.73Å; V342-F433 HydrophobicContact CG2-CD2 4.02Å; V342-F433 HydrophobicContact CG2-CE2 4.01Å; V342-M436 HydrophobicContact CG1-CE 3.8Å; V342-M436 HydrophobicContact CG1-SD 3.91Å; V342-M436 HydrophobicContact CG2-SD 4.15Å; V342-I453 HydrophobicContact CG2-CD1 4.03Å
343	C	97.3	Very high	92.5	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	144.3	178.4	-84.6	0	0	0	0	110.5	C295 Y327 G328 F330 Y345 P417	C295-C343 WeakPolarHBondContact CA-SG 3.32Å; C295-C343 HydrophobicContact CB-CB 3.9Å; C295-C343 WeakPolarHBondContact CB-SG 3.03Å; C295-C343 WeakPolarHBondContact SG-CB 3.49Å; C295-C343 CovalentContact SG-SG 2.05Å; C295-C343 PolarHBondContact SG-SG 2.79Å; Y327-C343 WeakPolarHBondContact CA-O 3.44Å; G328-C343 PolarHBondContact N-O 2.98Å; G328-C343 PolarHBondContact O-N 2.75Å; F330-C343 HydrophobicContact CD2-CB 4.28Å; F330-C343 HydrophobicContact CE2-CB 3.91Å; C343-Y345 HydrophobicContact CB-CE2 3.77Å; C343-P417 HydrophobicContact CB-CB 3.89Å
344	M	96.3	Very high	93	Very high	21 Å²	21	44.8 Å²	44.8	10%	0.103	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	140	175	-68.1	170.1	66.3	0	0	110.1	V325 I326 Y327 P417 I418 I423 L474	V325-M344 HydrophobicContact CG1-CB 4.42Å; V325-M344 HydrophobicContact CG1-CE 3.71Å; I326-M344 CarbonylContact O-C 3.59Å; I326-M344 WeakPolarHBondContact O-CA 3.22Å; Y327-M344 HydrophobicContact CD1-CG 3.62Å; Y327-M344 HydrophobicContact CD1-SD 4.44Å; Y327-M344 HydrophobicContact CE1-CE 4.15Å; Y327-M344 HydrophobicContact CE1-CG 3.4Å; Y327-M344 HydrophobicContact CE1-SD 3.63Å; Y327-M344 HydrophobicContact CE2-CE 4.24Å; Y327-M344 HydrophobicContact CE2-CG 4.41Å; Y327-M344 HydrophobicContact CG-CG 4.22Å; Y327-M344 WeakPolarHBondContact OH-CE 3.44Å; M344-P417 CarbonylContact O-C 3.55Å; M344-P417 WeakPolarHBondContact O-CA 3.23Å; M344-P417 VanDerWaalsContact O-CB 3.26Å; M344-P417 WeakPolarHBondContact O-CB 3.21Å; M344-I418 HydrophobicContact CB-CD1 4.16Å; M344-I418 HydrophobicContact CB-CG1 4.47Å; M344-I418 HydrophobicContact CE-CD1 4.48Å; M344-I418 PolarHBondContact O-N 2.96Å; M344-I423 HydrophobicContact CG-CD1 3.91Å; M344-I423 HydrophobicContact CG-CG1 4.35Å; M344-I423 HydrophobicContact CG-CG2 4.09Å; M344-I423 HydrophobicContact SD-CD1 3.88Å; M344-I423 HydrophobicContact SD-CG2 3.62Å; M344-L474 HydrophobicContact SD-CD1 3.94Å
345	Y	97.5	Very high	93.7	Very high	2 Å²	2	48 Å²	48	1%	0.008	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	144.2	179.9	-55.8	-88.7	0	0	0	110.9	L293 I294 I326 F330 C343 V415 Y416 P417	L293-Y345 HydrophobicContact CB-CE1 4.5Å; L293-Y345 HydrophobicContact CD2-CD1 3.91Å; L293-Y345 HydrophobicContact CD2-CD2 4.42Å; L293-Y345 HydrophobicContact CD2-CE1 3.8Å; L293-Y345 HydrophobicContact CD2-CE2 4.34Å; L293-Y345 HydrophobicContact CD2-CG 4.21Å; I294-Y345 PolarHBondContact O-OH 2.71Å; I326-Y345 PolarHBondContact N-O 2.87Å; I326-Y345 PolarHBondContact O-N 2.9Å; F330-Y345 AromaticContact CE2-CE2 3.89Å; F330-Y345 HydrophobicContact CE2-CE2 3.89Å; F330-Y345 WeakPolarHBondContact CE2-OH 3.15Å; F330-Y345 AromaticContact CZ-CE2 3.88Å; F330-Y345 HydrophobicContact CZ-CE2 3.88Å; F330-Y345 AromaticContact CZ-CZ 3.9Å; F330-Y345 WeakPolarHBondContact CZ-OH 3.47Å; C343-Y345 HydrophobicContact CB-CE2 3.77Å; Y345-V415 HydrophobicContact CD1-CG1 3.85Å; Y345-Y416 WeakPolarHBondContact CD1-O 3.36Å; Y345-P417 HydrophobicContact CD1-CB 4.23Å; Y345-P417 HydrophobicContact CE1-CB 3.92Å
346	S	96.3	Very high	94.9	Very high	25 Å²	25	40.7 Å²	40.7	18%	0.175	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	144.1	174.8	86.9	0	0	0	0	110.9	A348 D349 I350	S346-A348 PolarHBondContact O-N 2.86Å; S346-A348 PolarHBondContact OG-N 2.72Å; S346-D349 PolarHBondContact O-N 2.63Å; S346-D349 PolarHBondContact OG-N 3.06Å; S346-D349 VanDerWaalsContact OG-N 3.1Å; S346-D349 PolarHBondContact OG-OD2 3.07Å; S346-I350 WeakPolarHBondContact O-CG1 3.23Å; S346-I350 PolarHBondContact O-N 2.98Å
347	M	96.6	Very high	95.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.3	-26.7	172.2	-77.8	-56.3	-60.1	0	0	112.9	I234 Y246 P324 I326 I350 R351	I234-M347 HydrophobicContact CD1-CE 4.11Å; I234-M347 HydrophobicContact CD1-SD 3.75Å; I234-M347 HydrophobicContact CG2-CE 4.08Å; Y246-M347 HydrophobicContact CE1-CE 4.16Å; Y246-M347 HydrophobicContact CE2-CE 3.89Å; P324-M347 HydrophobicContact CG-CG 3.94Å; P324-M347 WeakPolarHBondContact O-CG 3.46Å; I326-M347 HydrophobicContact CD1-SD 3.61Å; M347-I350 HydrophobicContact CE-CG2 4.36Å; M347-I350 PolarHBondContact O-N 3.49Å; M347-I350 HydrophobicContact SD-CD1 3.81Å; M347-R351 WeakPolarHBondContact O-CB 3.48Å; M347-R351 VanDerWaalsContact O-CG 3.25Å; M347-R351 WeakPolarHBondContact O-CG 3.29Å; M347-R351 PolarHBondContact O-N 3.21Å
348	A	96.3	Very high	96.5	Very high	55 Å²	55	30.1 Å²	30.1	46%	0.455	16%	0.155	S	C	.	.	H	α-helix	trans	-63	-42.7	175.8	0	0	0	0	0	111.9	S346 R352	S346-A348 PolarHBondContact O-N 2.86Å; S346-A348 PolarHBondContact OG-N 2.72Å; A348-R352 WeakPolarHBondContact O-CB 3.37Å; A348-R352 PolarHBondContact O-N 3.26Å
349	D	97.5	Very high	96.8	Very high	43 Å²	43	26.6 Å²	26.6	23%	0.23	14%	0.141	C	C	.	.	H	α-helix	trans	-74.3	-36.1	179.3	-60.7	-41	0	0	0	112	S346 R352 A353	S346-D349 PolarHBondContact O-N 2.63Å; S346-D349 PolarHBondContact OG-N 3.06Å; S346-D349 VanDerWaalsContact OG-N 3.1Å; S346-D349 PolarHBondContact OG-OD2 3.07Å; D349-R352 WeakPolarHBondContact O-CB 3.48Å; D349-R352 PolarHBondContact O-N 3.29Å; D349-R352 IonicContact OD1-CZ 3.65Å; D349-R352 VanDerWaalsContact OD1-CZ 3.3Å; D349-R352 IonicContact OD1-NE 2.77Å; D349-R352 IonicContact OD1-NH1 3.56Å; D349-R352 IonicContact OD1-NH2 3.5Å; D349-R352 PolarHBondContact OD1-NH2 3.2Å; D349-A353 PolarHBondContact O-N 2.78Å
350	I	98.1	Very high	96.6	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-59.8	-50.9	172.7	-70.1	166.4	0	0	0	110.7	Y246 I267 I326 S346 M347 R352 A353 F354 V415	Y246-I350 HydrophobicContact CE1-CG2 3.9Å; I267-I350 HydrophobicContact CD1-CD1 3.85Å; I267-I350 HydrophobicContact CD1-CG1 4.26Å; I267-I350 HydrophobicContact CD1-CG2 3.84Å; I326-I350 HydrophobicContact CD1-CD1 3.27Å; S346-I350 WeakPolarHBondContact O-CG1 3.23Å; S346-I350 PolarHBondContact O-N 2.98Å; M347-I350 HydrophobicContact CE-CG2 4.36Å; M347-I350 PolarHBondContact O-N 3.49Å; M347-I350 HydrophobicContact SD-CD1 3.81Å; I350-R352 VanDerWaalsContact C-N 3.3Å; I350-R352 PolarHBondContact O-N 2.71Å; I350-A353 PolarHBondContact O-N 2.85Å; I350-F354 HydrophobicContact CG2-CD2 3.84Å; I350-F354 HydrophobicContact CG2-CE2 3.64Å; I350-F354 VanDerWaalsContact O-CD2 3.28Å; I350-F354 WeakPolarHBondContact O-CD2 3.49Å; I350-F354 PolarHBondContact O-N 3.24Å; I350-F354 VanDerWaalsContact O-N 3.13Å; I350-V415 HydrophobicContact CG1-CG1 3.72Å; I350-V415 HydrophobicContact CG1-CG2 4.32Å
351	R	97.1	Very high	95.8	Very high	51 Å²	51	31.7 Å²	31.7	19%	0.192	16%	0.162	C	C	.	.	H	α-helix	trans	-58.9	-43	176.4	-74.6	171.2	174	134.8	11.6	111.4	P235 E236 K322 M347 A353 F354 L355	P235-R351 PolarHBondContact O-NH2 2.93Å; E236-R351 IonicContact OE1-CZ 2.73Å; E236-R351 IonicContact OE1-NE 2.84Å; E236-R351 PolarHBondContact OE1-NE 3.48Å; E236-R351 IonicContact OE1-NH2 2.63Å; E236-R351 PolarHBondContact OE1-NH2 2.9Å; E236-R351 IonicContact OE2-CZ 3.91Å; E236-R351 IonicContact OE2-NE 3.63Å; E236-R351 PolarHBondContact OE2-NE 3.24Å; E236-R351 IonicContact OE2-NH2 3.38Å; K322-R351 PolarHBondContact O-NH1 3.34Å; K322-R351 VanDerWaalsContact O-NH1 3.14Å; K322-R351 PolarHBondContact O-NH2 2.73Å; M347-R351 WeakPolarHBondContact O-CB 3.48Å; M347-R351 VanDerWaalsContact O-CG 3.25Å; M347-R351 WeakPolarHBondContact O-CG 3.29Å; M347-R351 PolarHBondContact O-N 3.21Å; R351-A353 VanDerWaalsContact C-N 3.3Å; R351-A353 PolarHBondContact O-N 2.8Å; R351-F354 PolarHBondContact O-N 2.77Å; R351-L355 WeakPolarHBondContact O-CB 3.3Å; R351-L355 VanDerWaalsContact O-CG 3.31Å; R351-L355 WeakPolarHBondContact O-CG 3.29Å; R351-L355 PolarHBondContact O-N 2.75Å
352	R	97.6	Very high	94.6	Very high	163 Å²	163	37.5 Å²	37.5	62%	0.615	19%	0.193	S	C	*	.	H	α-helix	trans	-59.4	-39.9	177.2	-166.1	-172	-48.3	175.8	10.9	112.3	A348 D349 I350 L355 G356	A348-R352 WeakPolarHBondContact O-CB 3.37Å; A348-R352 PolarHBondContact O-N 3.26Å; D349-R352 WeakPolarHBondContact O-CB 3.48Å; D349-R352 PolarHBondContact O-N 3.29Å; D349-R352 IonicContact OD1-CZ 3.65Å; D349-R352 VanDerWaalsContact OD1-CZ 3.3Å; D349-R352 IonicContact OD1-NE 2.77Å; D349-R352 IonicContact OD1-NH1 3.56Å; D349-R352 IonicContact OD1-NH2 3.5Å; D349-R352 PolarHBondContact OD1-NH2 3.2Å; I350-R352 VanDerWaalsContact C-N 3.3Å; I350-R352 PolarHBondContact O-N 2.71Å; R352-L355 CarbonylContact O-C 3.54Å; R352-L355 PolarHBondContact O-N 2.87Å; R352-G356 PolarHBondContact O-N 3.04Å
353	A	97.9	Very high	93.2	Very high	4 Å²	4	39.2 Å²	39.2	3%	0.033	21%	0.21	C	C	.	.	H	α-helix	trans	-65.7	-44.3	176.3	0	0	0	0	0	112.1	A291 D349 I350 R351 L355 G356 M411 V415	A291-A353 HydrophobicContact CB-CB 4.4Å; D349-A353 PolarHBondContact O-N 2.78Å; I350-A353 PolarHBondContact O-N 2.85Å; R351-A353 VanDerWaalsContact C-N 3.3Å; R351-A353 PolarHBondContact O-N 2.8Å; A353-L355 VanDerWaalsContact C-N 3.28Å; A353-L355 PolarHBondContact O-N 2.89Å; A353-G356 WeakPolarHBondContact O-CA 3.25Å; A353-G356 PolarHBondContact O-N 2.92Å; A353-M411 WeakPolarHBondContact O-CE 3.02Å; A353-V415 HydrophobicContact CB-CG2 3.56Å
354	F	98	Very high	91.7	Very high	7 Å²	7	45.6 Å²	45.6	3%	0.031	25%	0.252	C	S	.	.	H	α-helix	trans	-68.8	-25	175.9	-71.3	-59.5	0	0	0	113.7	Y246 I267 Q269 L289 A291 I350 R351 G356 R379 M411	Y246-F354 HydrophobicContact CD1-CE2 4.42Å; Y246-F354 HydrophobicContact CE1-CD2 4.39Å; Y246-F354 AromaticContact CE1-CE2 3.91Å; Y246-F354 HydrophobicContact CE1-CE2 3.91Å; I267-F354 HydrophobicContact CG2-CE2 4.26Å; I267-F354 HydrophobicContact CG2-CZ 4.04Å; Q269-F354 HydrophobicContact CB-CE1 4.4Å; Q269-F354 HydrophobicContact CB-CE2 4.16Å; Q269-F354 HydrophobicContact CB-CZ 4.06Å; Q269-F354 HydrophobicContact CG-CD1 3.79Å; Q269-F354 HydrophobicContact CG-CD2 4.25Å; Q269-F354 HydrophobicContact CG-CE1 3.67Å; Q269-F354 HydrophobicContact CG-CE2 4.12Å; Q269-F354 HydrophobicContact CG-CG 4.09Å; Q269-F354 HydrophobicContact CG-CZ 3.83Å; L289-F354 HydrophobicContact CB-CD1 3.9Å; L289-F354 HydrophobicContact CB-CE1 3.93Å; L289-F354 HydrophobicContact CD1-CD1 4.42Å; A291-F354 HydrophobicContact CB-CE1 4.12Å; A291-F354 HydrophobicContact CB-CZ 4.27Å; I350-F354 HydrophobicContact CG2-CD2 3.84Å; I350-F354 HydrophobicContact CG2-CE2 3.64Å; I350-F354 VanDerWaalsContact O-CD2 3.28Å; I350-F354 WeakPolarHBondContact O-CD2 3.49Å; I350-F354 PolarHBondContact O-N 3.24Å; I350-F354 VanDerWaalsContact O-N 3.13Å; R351-F354 PolarHBondContact O-N 2.77Å; F354-G356 VanDerWaalsContact C-N 3.32Å; F354-R379 PolarHBondContact O-NH2 3.02Å; F354-M411 HydrophobicContact CD1-CG 3.71Å; F354-M411 HydrophobicContact CD1-SD 4.4Å; F354-M411 HydrophobicContact CE1-CG 4.17Å; F354-M411 WeakPolarHBondContact O-CE 3.32Å
355	L	96.4	Very high	90.4	Very high	116 Å²	116	48.3 Å²	48.3	61%	0.607	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-2.6	169.4	-64.8	174	0	0	0	113.1	R351 R352 A353 R379	R351-L355 WeakPolarHBondContact O-CB 3.3Å; R351-L355 VanDerWaalsContact O-CG 3.31Å; R351-L355 WeakPolarHBondContact O-CG 3.29Å; R351-L355 PolarHBondContact O-N 2.75Å; R352-L355 CarbonylContact O-C 3.54Å; R352-L355 PolarHBondContact O-N 2.87Å; A353-L355 VanDerWaalsContact C-N 3.28Å; A353-L355 PolarHBondContact O-N 2.89Å; L355-R379 VanDerWaalsContact O-CZ 3.25Å; L355-R379 PolarHBondContact O-NH1 2.97Å; L355-R379 PolarHBondContact O-NH2 3.33Å
356	G	96.9	Very high	89.3	Confident	12 Å²	12	55.5 Å²	55.5	12%	0.124	30%	0.301	C	S	.	.	S	Bend	trans	-80	-175.1	177.8	0	0	0	0	0	114.3	R352 A353 F354 R379 M411	R352-G356 PolarHBondContact O-N 3.04Å; A353-G356 WeakPolarHBondContact O-CA 3.25Å; A353-G356 PolarHBondContact O-N 2.92Å; F354-G356 VanDerWaalsContact C-N 3.32Å; G356-R379 PolarHBondContact O-NH2 2.7Å; G356-M411 WeakPolarHBondContact O-CE 3.44Å
357	P	97.3	Very high	88.7	Confident	46 Å²	46	60.3 Å²	60.3	30%	0.299	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-66.1	143.9	177.6	25.3	-30.9	0	0	0	112	P370 F412	P357-P370 HydrophobicContact CB-CB 4Å; P357-P370 HydrophobicContact CG-CB 4.14Å; P357-F412 HydrophobicContact CG-CB 4.22Å; P357-F412 HydrophobicContact CG-CD1 4.34Å; P357-F412 WeakPolarHBondContact O-CB 3.33Å; P357-F412 PolarHBondContact O-N 3.36Å
358	Y	97.8	Very high	88.1	Confident	3 Å²	3	63.9 Å²	63.9	1%	0.012	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-69.6	146.7	170.6	-60	-89.4	0	0	0	110.1	L289 F371 V375 R379 P380 F404 H408 M411	L289-Y358 HydrophobicContact CD1-CE1 4.2Å; L289-Y358 HydrophobicContact CD2-CD1 4.22Å; L289-Y358 HydrophobicContact CD2-CE1 3.76Å; Y358-F371 WeakPolarHBondContact O-CB 3.17Å; Y358-F371 PolarHBondContact O-N 3.26Å; Y358-V375 HydrophobicContact CD2-CG2 4.1Å; Y358-V375 HydrophobicContact CE2-CG1 3.78Å; Y358-V375 HydrophobicContact CE2-CG2 4.02Å; Y358-R379 WeakPolarHBondContact OH-CG 3.41Å; Y358-R379 PolarHBondContact OH-NE 3.46Å; Y358-P380 HydrophobicContact CE1-CB 4.42Å; Y358-P380 PolarHBondContact OH-O 2.95Å; Y358-F404 AromaticContact CD1-CE1 3.93Å; Y358-F404 HydrophobicContact CD1-CE1 3.93Å; Y358-F404 AromaticContact CD2-CE1 3.67Å; Y358-F404 HydrophobicContact CD2-CE1 3.67Å; Y358-F404 AromaticContact CD2-CZ 3.79Å; Y358-F404 HydrophobicContact CD2-CZ 3.79Å; Y358-F404 HydrophobicContact CE1-CE1 4.11Å; Y358-F404 AromaticContact CE2-CE1 3.87Å; Y358-F404 HydrophobicContact CE2-CE1 3.87Å; Y358-F404 HydrophobicContact CE2-CZ 4.28Å; Y358-F404 AromaticContact CG-CE1 3.72Å; Y358-F404 HydrophobicContact CG-CE1 3.72Å; Y358-F404 HydrophobicContact CG-CZ 4.04Å; Y358-H408 HydrophobicContact CD1-CB 4.32Å; Y358-H408 HydrophobicContact CG-CB 4.47Å; Y358-M411 HydrophobicContact CD1-CE 4.1Å; Y358-M411 HydrophobicContact CD1-SD 3.84Å; Y358-M411 HydrophobicContact CE1-CE 4.22Å; Y358-M411 HydrophobicContact CE1-SD 4Å; Y358-M411 HydrophobicContact CG-CE 4.42Å
359	A	94.1	Very high	87.9	Confident	8 Å²	8	63.9 Å²	63.9	7%	0.066	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	134.2	171.2	0	0	0	0	0	109.4	W368 A410 F412	A359-W368 HydrophobicContact CB-CE3 3.72Å; A359-W368 HydrophobicContact CB-CZ3 3.97Å; A359-A410 HydrophobicContact CB-CB 4.06Å; A359-A410 WeakPolarHBondContact CB-O 3.39Å; A359-A410 PolarHBondContact N-O 3.3Å; A359-F412 HydrophobicContact CB-CB 4.22Å
360	H	88.6	Confident	87.7	Confident	35 Å²	35	63.7 Å²	63.7	16%	0.162	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	144.1	-177.8	-179.6	74.3	0	0	0	109.6	D362 V369 F371 H408	H360-D362 IonicContact CE1-OD2 3.79Å; H360-D362 PolarHBondContact CE1-OD2 2.81Å; H360-D362 IonicContact ND1-OD2 3.89Å; H360-D362 VanDerWaalsContact NE2-CB 3.33Å; H360-D362 WeakPolarHBondContact NE2-CB 3.42Å; H360-D362 IonicContact NE2-OD2 3.76Å; H360-D362 PolarHBondContact NE2-OD2 2.98Å; H360-V369 HydrophobicContact CB-CG2 4.46Å; H360-V369 PolarHBondContact N-O 3.39Å; H360-V369 WeakPolarHBondContact O-CG2 3.25Å; H360-V369 PolarHBondContact O-N 3.42Å; H360-F371 HydrophobicContact CB-CB 3.9Å; H360-F371 HydrophobicContact CB-CD2 3.97Å; H360-F371 HydrophobicContact CB-CG 4.44Å; H360-F371 AromaticContact CG-CD2 3.78Å; H360-F371 AromaticContact ND1-CD2 3.71Å; H360-H408 AromaticContact CE1-NE2 3.89Å; H360-H408 AromaticContact ND1-CD2 3.86Å; H360-H408 AromaticContact ND1-NE2 3.03Å; H360-H408 PolarHBondContact ND1-NE2 2.97Å
361	R	80.9	Confident	87.5	Confident	73 Å²	73	65.6 Å²	65.6	28%	0.275	34%	0.338	S	S	.	.			trans	-137.8	69	-178.6	-171.2	-177.2	173.7	-172	-7	108.9	M254 Y366 W368	M254-R361 PolarHBondContact O-NH1 2.69Å; R361-Y366 PolarHBondContact NE-O 2.85Å; R361-W368 HydrophobicContact CB-CD2 4.18Å; R361-W368 HydrophobicContact CB-CE3 3.86Å; R361-W368 HydrophobicContact CB-CH2 4.37Å; R361-W368 HydrophobicContact CB-CZ3 3.97Å
362	D	69.9	Low	87.2	Confident	123 Å²	123	70.9 Å²	70.9	66%	0.658	37%	0.365	S	S	*	.			trans	-123.6	135.3	163.2	-68.4	-38.7	0	0	0	109.6	H360	H360-D362 IonicContact CE1-OD2 3.79Å; H360-D362 PolarHBondContact CE1-OD2 2.81Å; H360-D362 IonicContact ND1-OD2 3.89Å; H360-D362 VanDerWaalsContact NE2-CB 3.33Å; H360-D362 WeakPolarHBondContact NE2-CB 3.42Å; H360-D362 IonicContact NE2-OD2 3.76Å; H360-D362 PolarHBondContact NE2-OD2 2.98Å
363	G	68.3	Low	86.9	Confident	35 Å²	35	65 Å²	65	36%	0.361	36%	0.355	S	S	.	.	S	Bend	trans	142.6	166	178.3	0	0	0	0	0	113.2	S365 Y366	G363-S365 PolarHBondContact O-N 2.69Å; G363-Y366 PolarHBondContact O-N 2.9Å; G363-Y366 VanDerWaalsContact O-N 3.09Å
364	P	66.9	Low	86.8	Confident	135 Å²	135	75.3 Å²	75.3	88%	0.877	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-28.4	-172.7	-21.2	31.9	0	0	0	114.2
365	S	69.6	Low	86.7	Confident	77 Å²	77	77.6 Å²	77.6	54%	0.538	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-11	-179.2	58.2	0	0	0	0	113.7	G363 Q367	G363-S365 PolarHBondContact O-N 2.69Å; S365-Q367 PolarHBondContact O-N 3.44Å; S365-Q367 VanDerWaalsContact O-N 3.09Å
366	Y	74.3	Confident	86.7	Confident	153 Å²	153	72.7 Å²	72.7	60%	0.6	38%	0.383	S	S	*	.			trans	47.5	36	-175.7	-72.3	-88.2	0	0	0	113.9	R361 G363	R361-Y366 PolarHBondContact NE-O 2.85Å; G363-Y366 PolarHBondContact O-N 2.9Å; G363-Y366 VanDerWaalsContact O-N 3.09Å
367	Q	82.2	Confident	86.6	Confident	127 Å²	127	79.9 Å²	79.9	59%	0.593	41%	0.407	S	S	*	.			trans	-94.2	152.3	177.4	-71	175.9	-7.4	0	0	111.4	S365 V369	S365-Q367 PolarHBondContact O-N 3.44Å; S365-Q367 VanDerWaalsContact O-N 3.09Å; Q367-V369 PolarHBondContact O-N 3.13Å
368	W	85.2	Confident	86.4	Confident	74 Å²	74	78 Å²	78	28%	0.28	40%	0.395	S	S	.	.			trans	-72.6	123.2	172.2	-70.3	106.5	0	0	0	110.3	M254 A359 R361	M254-W368 HydrophobicContact CB-CZ2 3.87Å; M254-W368 PolarHBondContact O-NE1 2.97Å; M254-W368 VanDerWaalsContact O-NE1 3.17Å; A359-W368 HydrophobicContact CB-CE3 3.72Å; A359-W368 HydrophobicContact CB-CZ3 3.97Å; R361-W368 HydrophobicContact CB-CD2 4.18Å; R361-W368 HydrophobicContact CB-CE3 3.86Å; R361-W368 HydrophobicContact CB-CH2 4.37Å; R361-W368 HydrophobicContact CB-CZ3 3.97Å
369	V	90.6	Very high	86.3	Confident	55 Å²	55	81.3 Å²	81.3	33%	0.333	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	158	-179.8	-66	0	0	0	0	110.3	H360 Q367 F371 F412	H360-V369 HydrophobicContact CB-CG2 4.46Å; H360-V369 PolarHBondContact N-O 3.39Å; H360-V369 WeakPolarHBondContact O-CG2 3.25Å; H360-V369 PolarHBondContact O-N 3.42Å; Q367-V369 PolarHBondContact O-N 3.13Å; V369-F371 PolarHBondContact O-N 3.22Å; V369-F412 VanDerWaalsContact C-CD2 3.46Å
370	P	94.3	Very high	86.4	Confident	40 Å²	40	81.1 Å²	81.1	26%	0.26	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	129.5	173.3	26.6	-30.3	0	0	0	109.8	P357 Q372 F412	P357-P370 HydrophobicContact CB-CB 4Å; P357-P370 HydrophobicContact CG-CB 4.14Å; P370-Q372 PolarHBondContact O-N 2.98Å; P370-Q372 PolarHBondContact O-NE2 3.19Å; P370-Q372 VanDerWaalsContact O-NE2 3.12Å; P370-F412 HydrophobicContact CB-CB 4.33Å; P370-F412 HydrophobicContact CB-CD1 3.72Å; P370-F412 HydrophobicContact CB-CD2 4.31Å; P370-F412 HydrophobicContact CB-CE1 4.08Å; P370-F412 HydrophobicContact CB-CG 3.84Å; P370-F412 HydrophobicContact CG-CD1 4.21Å; P370-F412 HydrophobicContact CG-CE1 4.04Å; P370-F412 HydrophobicContact CG-CZ 4.24Å
371	F	94.1	Very high	86.7	Confident	40 Å²	40	79.8 Å²	79.8	18%	0.175	40%	0.402	C	S	.	.			trans	-59.2	120.5	176	-175.9	-107	0	0	0	110.9	Y358 H360 V369 G373 V375 F404 H408	Y358-F371 WeakPolarHBondContact O-CB 3.17Å; Y358-F371 PolarHBondContact O-N 3.26Å; H360-F371 HydrophobicContact CB-CB 3.9Å; H360-F371 HydrophobicContact CB-CD2 3.97Å; H360-F371 HydrophobicContact CB-CG 4.44Å; H360-F371 AromaticContact CG-CD2 3.78Å; H360-F371 AromaticContact ND1-CD2 3.71Å; V369-F371 PolarHBondContact O-N 3.22Å; F371-G373 VanDerWaalsContact CE1-CA 3.42Å; F371-G373 WeakPolarHBondContact CE1-O 2.97Å; F371-G373 VanDerWaalsContact CZ-CA 3.43Å; F371-V375 HydrophobicContact CD1-CG2 4.11Å; F371-V375 HydrophobicContact CE1-CG2 4.19Å; F371-F404 HydrophobicContact CD1-CE2 4.03Å; F371-F404 AromaticContact CD1-CZ 3.9Å; F371-F404 HydrophobicContact CD1-CZ 3.9Å; F371-F404 AromaticContact CE1-CE2 3.49Å; F371-F404 HydrophobicContact CE1-CE2 3.49Å; F371-F404 VanDerWaalsContact CE1-CE2 3.49Å; F371-F404 AromaticContact CE1-CZ 3.85Å; F371-F404 HydrophobicContact CE1-CZ 3.85Å; F371-F404 HydrophobicContact CE2-CE2 4.27Å; F371-F404 HydrophobicContact CG-CZ 4.4Å; F371-F404 AromaticContact CZ-CE2 3.64Å; F371-F404 HydrophobicContact CZ-CE2 3.64Å; F371-F404 HydrophobicContact CZ-CZ 4.32Å; F371-H408 AromaticContact CD2-NE2 3.91Å
372	Q	91.6	Very high	87.3	Confident	162 Å²	162	78.7 Å²	78.7	76%	0.757	40%	0.403	S	S	*	.			trans	-101	-6.4	-179.8	-60.9	-57.1	-53.1	0	0	113.5	P370	P370-Q372 PolarHBondContact O-N 2.98Å; P370-Q372 PolarHBondContact O-NE2 3.19Å; P370-Q372 VanDerWaalsContact O-NE2 3.12Å
373	G	91.3	Very high	88.5	Confident	41 Å²	41	73 Å²	73	42%	0.423	37%	0.373	S	S	.	.	S	Bend	trans	-75.8	-179.8	-178.9	0	0	0	0	0	113.3	F371 V375	F371-G373 VanDerWaalsContact CE1-CA 3.42Å; F371-G373 WeakPolarHBondContact CE1-O 2.97Å; F371-G373 VanDerWaalsContact CZ-CA 3.43Å; G373-V375 PolarHBondContact O-N 3.37Å
374	R	94.6	Very high	89.6	Confident	220 Å²	220	71.7 Å²	71.7	83%	0.83	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-72.2	121.6	175	-177	179.3	175.9	-175.5	-2.6	110.4
375	V	96.8	Very high	90.5	Very high	55 Å²	55	65.3 Å²	65.3	33%	0.333	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-79.4	130.5	170.2	179.8	0	0	0	0	108.7	Y358 F371 G373 R379 F404	Y358-V375 HydrophobicContact CD2-CG2 4.1Å; Y358-V375 HydrophobicContact CE2-CG1 3.78Å; Y358-V375 HydrophobicContact CE2-CG2 4.02Å; F371-V375 HydrophobicContact CD1-CG2 4.11Å; F371-V375 HydrophobicContact CE1-CG2 4.19Å; G373-V375 PolarHBondContact O-N 3.37Å; V375-R379 HydrophobicContact CG1-CG 4.34Å; V375-F404 HydrophobicContact CG2-CZ 4.39Å
376	P	96.4	Very high	90.7	Very high	13 Å²	13	69.3 Å²	69.3	8%	0.084	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-71	164	-179.5	30.9	-36.4	0	0	0	112.1	P378 P380 E400 V401 F404	P376-P378 CarbonylContact O-C 3.44Å; P376-P380 HydrophobicContact CG-CG 3.97Å; P376-E400 HydrophobicContact CB-CB 4.42Å; P376-E400 HydrophobicContact CB-CG 4Å; P376-V401 HydrophobicContact CB-CG2 3.86Å; P376-V401 HydrophobicContact CG-CG2 4.16Å; P376-F404 HydrophobicContact CG-CB 3.69Å; P376-F404 HydrophobicContact CG-CD2 4.15Å; P376-F404 HydrophobicContact CG-CG 3.89Å
377	Y	93.4	Very high	90.4	Very high	162 Å²	162	66.1 Å²	66.1	64%	0.635	32%	0.321	S	S	*	.	S	Bend	trans	-115.2	136.8	178.8	-175.5	-88.9	0	0	0	111.2	V401	Y377-V401 WeakPolarHBondContact O-CG2 3.45Å
378	P	94.1	Very high	89.6	Confident	7 Å²	7	65.8 Å²	65.8	5%	0.045	32%	0.318	C	S	.	.	S	Bend	cis	-67.7	159.1	-3.2	31	-36.3	0	0	0	110.7	P376 P380 F391 L397 V401	P376-P378 CarbonylContact O-C 3.44Å; P378-P380 WeakPolarHBondContact O-CD 3.44Å; P378-F391 HydrophobicContact CB-CE2 4.39Å; P378-F391 HydrophobicContact CG-CD2 3.79Å; P378-F391 HydrophobicContact CG-CE2 3.6Å; P378-L397 HydrophobicContact CG-CD2 3.5Å; P378-V401 WeakPolarHBondContact O-CG2 3.42Å
379	R	95.4	Very high	88.6	Confident	72 Å²	72	63 Å²	63	27%	0.272	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-60.7	127.5	-175.5	-179.9	174.8	178.5	163.3	2.2	110.2	F354 L355 G356 Y358 V375 G381 T382	F354-R379 PolarHBondContact O-NH2 3.02Å; L355-R379 VanDerWaalsContact O-CZ 3.25Å; L355-R379 PolarHBondContact O-NH1 2.97Å; L355-R379 PolarHBondContact O-NH2 3.33Å; G356-R379 PolarHBondContact O-NH2 2.7Å; Y358-R379 WeakPolarHBondContact OH-CG 3.41Å; Y358-R379 PolarHBondContact OH-NE 3.46Å; V375-R379 HydrophobicContact CG1-CG 4.34Å; R379-G381 PolarHBondContact O-N 2.92Å; R379-T382 VanDerWaalsContact O-CB 3.24Å; R379-T382 WeakPolarHBondContact O-CB 3.27Å; R379-T382 PolarHBondContact O-N 3.12Å; R379-T382 PolarHBondContact O-OG1 3.48Å; R379-T382 VanDerWaalsContact O-OG1 3.13Å
380	P	96.5	Very high	88	Confident	4 Å²	4	63.7 Å²	63.7	3%	0.026	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	127.6	176.1	-30.3	37.5	0	0	0	112.5	Y358 P376 P378 V401 F404 A405	Y358-P380 HydrophobicContact CE1-CB 4.42Å; Y358-P380 PolarHBondContact OH-O 2.95Å; P376-P380 HydrophobicContact CG-CG 3.97Å; P378-P380 WeakPolarHBondContact O-CD 3.44Å; P380-V401 HydrophobicContact CG-CG1 4.13Å; P380-F404 HydrophobicContact CB-CD1 4.05Å; P380-F404 HydrophobicContact CG-CB 4.2Å; P380-F404 HydrophobicContact CG-CD1 3.51Å; P380-F404 HydrophobicContact CG-CE1 4.21Å; P380-F404 HydrophobicContact CG-CG 4.1Å; P380-A405 HydrophobicContact CB-CB 4.09Å
381	G	94.3	Very high	87.6	Confident	8 Å²	8	64.1 Å²	64.1	8%	0.082	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.1	-1.7	-173.9	0	0	0	0	0	115.3	Q269 R379	Q269-G381 PolarHBondContact NE2-O 2.72Å; Q269-G381 VanDerWaalsContact NE2-O 3.11Å; R379-G381 PolarHBondContact O-N 2.92Å
382	T	93.5	Very high	87.4	Confident	49 Å²	49	68.4 Å²	68.4	30%	0.301	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-76.7	138.1	165.7	-64.4	0	0	0	0	110.2	R379	R379-T382 VanDerWaalsContact O-CB 3.24Å; R379-T382 WeakPolarHBondContact O-CB 3.27Å; R379-T382 PolarHBondContact O-N 3.12Å; R379-T382 PolarHBondContact O-OG1 3.48Å; R379-T382 VanDerWaalsContact O-OG1 3.13Å
383	C	94.3	Very high	87.4	Confident	5 Å²	5	62 Å²	62	3%	0.034	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-77.7	140.9	178.3	-52.5	0	0	0	0	110.5	E241 C271 S385	E241-C383 WeakPolarHBondContact O-CB 3.45Å; C271-C383 HydrophobicContact CB-CB 3.69Å; C271-C383 WeakPolarHBondContact CB-SG 3.48Å; C271-C383 WeakPolarHBondContact SG-CA 3.39Å; C271-C383 WeakPolarHBondContact SG-CB 3.36Å; C271-C383 PolarHBondContact SG-N 3.03Å; C271-C383 CovalentContact SG-SG 2.04Å; C271-C383 PolarHBondContact SG-SG 3.41Å; C383-S385 PolarHBondContact O-N 3.43Å
384	P	92.5	Very high	87.6	Confident	7 Å²	7	60 Å²	60	5%	0.045	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-64.1	120.6	170.7	27.6	-32.9	0	0	0	108.5	N273 F391 T394	N273-P384 PolarHBondContact ND2-O 3.16Å; N273-P384 WeakPolarHBondContact OD1-CD 3.39Å; P384-F391 CarbonylContact C-O 3.41Å; P384-F391 WeakPolarHBondContact CB-O 3.5Å; P384-T394 HydrophobicContact CG-CG2 3.75Å
385	S	86.5	Confident	87.6	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.007	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-152.2	146.6	-172.3	168.5	0	0	0	0	110	N239 E241 D242 C383 T387 F388 F391	N239-S385 PolarHBondContact ND2-OG 3.13Å; N239-S385 VanDerWaalsContact ND2-OG 3.1Å; E241-S385 WeakPolarHBondContact OE2-CA 3.23Å; D242-S385 WeakPolarHBondContact OD1-CB 3.44Å; D242-S385 PolarHBondContact OD1-OG 2.95Å; D242-S385 PolarHBondContact OD2-OG 3.45Å; C383-S385 PolarHBondContact O-N 3.43Å; S385-T387 PolarHBondContact O-N 2.74Å; S385-T387 PolarHBondContact OG-N 2.94Å; S385-F388 CarbonylContact O-C 3.59Å; S385-F388 PolarHBondContact O-N 2.89Å; S385-F391 PolarHBondContact N-O 2.98Å
386	K	72.9	Confident	87.5	Confident	160 Å²	160	56 Å²	56	70%	0.696	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-22.8	175.8	-66.6	177.5	-174.6	171.9	0	112.6	E241	E241-K386 PolarHBondContact OE2-N 3.38Å
387	T	68.4	Low	87.4	Confident	87 Å²	87	56.3 Å²	56.3	53%	0.534	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-33.1	-178.2	-42.1	0	0	0	0	111.9	N239 S385	N239-T387 PolarHBondContact ND2-OG1 2.77Å; S385-T387 PolarHBondContact O-N 2.74Å; S385-T387 PolarHBondContact OG-N 2.94Å
388	F	64.4	Low	87.5	Confident	120 Å²	120	50.7 Å²	50.7	53%	0.526	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.6	132	-176.9	-63.4	-77.5	0	0	0	111.6	S385	S385-F388 CarbonylContact O-C 3.59Å; S385-F388 PolarHBondContact O-N 2.89Å
389	G	64.1	Low	87.5	Confident	14 Å²	14	54.3 Å²	54.3	14%	0.144	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	95.9	-30.6	175.9	0	0	0	0	0	114.4	F391	G389-F391 VanDerWaalsContact C-N 3.3Å; G389-F391 WeakPolarHBondContact O-CD2 3.45Å; G389-F391 WeakPolarHBondContact O-CE2 3.24Å; G389-F391 PolarHBondContact O-N 2.65Å
390	G	78.3	Confident	87.6	Confident	70 Å²	70	56.3 Å²	56.3	72%	0.722	31%	0.308	S	S	*	.	S	Bend	trans	71.7	20.8	173.3	0	0	0	0	0	114.8
391	F	87.3	Confident	87.6	Confident	50 Å²	50	56.3 Å²	56.3	22%	0.219	31%	0.308	C	S	.	.			trans	-120.4	135.6	175.3	-61.3	-88.4	0	0	0	109.7	P378 P384 S385 G389 D396 L397 P398	P378-F391 HydrophobicContact CB-CE2 4.39Å; P378-F391 HydrophobicContact CG-CD2 3.79Å; P378-F391 HydrophobicContact CG-CE2 3.6Å; P384-F391 CarbonylContact C-O 3.41Å; P384-F391 WeakPolarHBondContact CB-O 3.5Å; S385-F391 PolarHBondContact N-O 2.98Å; G389-F391 VanDerWaalsContact C-N 3.3Å; G389-F391 WeakPolarHBondContact O-CD2 3.45Å; G389-F391 WeakPolarHBondContact O-CE2 3.24Å; G389-F391 PolarHBondContact O-N 2.65Å; F391-D396 HydrophobicContact CD1-CB 3.83Å; F391-D396 WeakPolarHBondContact CD1-O 3.46Å; F391-D396 VanDerWaalsContact CE1-O 3.31Å; F391-D396 WeakPolarHBondContact CE1-O 3.35Å; F391-L397 HydrophobicContact CD2-CD2 4.15Å; F391-L397 HydrophobicContact CG-CD2 4.27Å; F391-P398 HydrophobicContact CZ-CG 4.31Å
392	D	88.3	Confident	87.7	Confident	129 Å²	129	56.1 Å²	56.1	69%	0.69	31%	0.306	S	S	*	.	S	Bend	trans	-77.6	-25.5	178.6	-68.5	-40.9	0	0	0	112.2
393	T	93	Very high	87.8	Confident	28 Å²	28	57.7 Å²	57.7	17%	0.172	32%	0.315	C	S	.	.	S	Bend	trans	-149.3	155.9	178.8	-179.6	0	0	0	0	112.9	K395 D396	T393-K395 HydrophobicContact CG2-CB 3.96Å; T393-K395 PolarHBondContact O-N 3Å; T393-K395 VanDerWaalsContact O-N 3.14Å; T393-K395 PolarHBondContact OG1-N 3.13Å; T393-D396 HydrophobicContact CG2-CB 4.43Å; T393-D396 WeakPolarHBondContact CG2-OD2 3.43Å; T393-D396 PolarHBondContact O-N 3.41Å
394	T	95.1	Very high	88	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-61	-19.6	174.4	55.8	0	0	0	0	113.7	D274 L275 G276 T286 T287 P384 D396 L397	D274-T394 HydrophobicContact CB-CG2 4.16Å; D274-T394 PolarHBondContact OD1-OG1 2.94Å; L275-T394 PolarHBondContact N-OG1 3.24Å; G276-T394 PolarHBondContact N-OG1 3.21Å; G276-T394 CarbonylContact O-C 3.53Å; G276-T394 PolarHBondContact O-OG1 3.01Å; T286-T394 WeakPolarHBondContact OG1-CB 3.48Å; T286-T394 WeakPolarHBondContact OG1-CG2 3.25Å; T287-T394 HydrophobicContact CG2-CG2 4.19Å; P384-T394 HydrophobicContact CG-CG2 3.75Å; T394-D396 PolarHBondContact O-N 3.39Å; T394-L397 HydrophobicContact CG2-CD1 4.2Å; T394-L397 WeakPolarHBondContact O-CB 3.33Å; T394-L397 WeakPolarHBondContact O-CG 3.34Å; T394-L397 PolarHBondContact O-N 3.18Å
395	K	94.9	Very high	88.2	Confident	100 Å²	100	58.2 Å²	58.2	44%	0.435	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-69.4	-22.3	175.4	-69.5	-177.6	177.2	-178.7	0	113	H278 T393 L397	H278-K395 HydrophobicContact CB-CB 4.21Å; H278-K395 VanDerWaalsContact CB-O 3.26Å; H278-K395 WeakPolarHBondContact CB-O 3.36Å; T393-K395 HydrophobicContact CG2-CB 3.96Å; T393-K395 PolarHBondContact O-N 3Å; T393-K395 VanDerWaalsContact O-N 3.14Å; T393-K395 PolarHBondContact OG1-N 3.13Å; K395-L397 VanDerWaalsContact C-N 3.32Å
396	D	93.9	Very high	88.6	Confident	90 Å²	90	62.9 Å²	62.9	48%	0.481	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-89.7	-2.5	179.8	-56.7	-28.1	0	0	0	112.2	F391 T393 T394	F391-D396 HydrophobicContact CD1-CB 3.83Å; F391-D396 WeakPolarHBondContact CD1-O 3.46Å; F391-D396 VanDerWaalsContact CE1-O 3.31Å; F391-D396 WeakPolarHBondContact CE1-O 3.35Å; T393-D396 HydrophobicContact CG2-CB 4.43Å; T393-D396 WeakPolarHBondContact CG2-OD2 3.43Å; T393-D396 PolarHBondContact O-N 3.41Å; T394-D396 PolarHBondContact O-N 3.39Å
397	L	94.3	Very high	89.7	Confident	20 Å²	20	57.1 Å²	57.1	11%	0.105	31%	0.314	C	S	.	.	S	Bend	trans	-63	138.1	178.3	-67.1	174.6	0	0	0	111	P378 F391 T394 K395 V402	P378-L397 HydrophobicContact CG-CD2 3.5Å; F391-L397 HydrophobicContact CD2-CD2 4.15Å; F391-L397 HydrophobicContact CG-CD2 4.27Å; T394-L397 HydrophobicContact CG2-CD1 4.2Å; T394-L397 WeakPolarHBondContact O-CB 3.33Å; T394-L397 WeakPolarHBondContact O-CG 3.34Å; T394-L397 PolarHBondContact O-N 3.18Å; K395-L397 VanDerWaalsContact C-N 3.32Å; L397-V402 HydrophobicContact CB-CG2 4Å
398	P	95.3	Very high	91	Very high	44 Å²	44	54 Å²	54	29%	0.286	29%	0.294	S	S	.	.			trans	-57	145.9	175.6	-25.2	34	0	0	0	112.8	F391 E400 V401 V402	F391-P398 HydrophobicContact CZ-CG 4.31Å; P398-E400 HydrophobicContact CB-CG 3.91Å; P398-E400 PolarHBondContact O-N 3.4Å; P398-E400 VanDerWaalsContact O-N 3.11Å; P398-V401 HydrophobicContact CB-CG2 4.26Å; P398-V401 HydrophobicContact CG-CG2 4.29Å; P398-V401 WeakPolarHBondContact O-CB 3.39Å; P398-V401 PolarHBondContact O-N 3.31Å; P398-V402 PolarHBondContact O-N 3.49Å
399	D	95.3	Very high	92.5	Very high	82 Å²	82	48.4 Å²	48.4	44%	0.439	27%	0.269	S	S	.	.	H	α-helix	trans	-56.5	-32.1	179.8	-77.4	-27.9	0	0	0	112.1	R279 T403	R279-D399 IonicContact NH1-OD2 3.58Å; D399-T403 VanDerWaalsContact O-CB 3.25Å; D399-T403 WeakPolarHBondContact O-CB 3.43Å; D399-T403 PolarHBondContact O-N 2.97Å; D399-T403 PolarHBondContact O-OG1 3.38Å
400	E	95.9	Very high	94.1	Very high	114 Å²	114	48.1 Å²	48.1	53%	0.533	27%	0.266	S	S	.	.	H	α-helix	trans	-63.4	-39.7	175.2	59.1	170.1	-161.8	0	0	113.1	P376 P398 F404	P376-E400 HydrophobicContact CB-CB 4.42Å; P376-E400 HydrophobicContact CB-CG 4Å; P398-E400 HydrophobicContact CB-CG 3.91Å; P398-E400 PolarHBondContact O-N 3.4Å; P398-E400 VanDerWaalsContact O-N 3.11Å; E400-F404 VanDerWaalsContact O-CB 3.31Å; E400-F404 WeakPolarHBondContact O-CB 3.18Å; E400-F404 PolarHBondContact O-N 3.19Å
401	V	96.4	Very high	95	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.024	23%	0.233	C	C	.	.	H	α-helix	trans	-67.9	-46.9	178.8	175.5	0	0	0	0	109.8	P376 Y377 P378 P380 P398 T403 F404 A405	P376-V401 HydrophobicContact CB-CG2 3.86Å; P376-V401 HydrophobicContact CG-CG2 4.16Å; Y377-V401 WeakPolarHBondContact O-CG2 3.45Å; P378-V401 WeakPolarHBondContact O-CG2 3.42Å; P380-V401 HydrophobicContact CG-CG1 4.13Å; P398-V401 HydrophobicContact CB-CG2 4.26Å; P398-V401 HydrophobicContact CG-CG2 4.29Å; P398-V401 WeakPolarHBondContact O-CB 3.39Å; P398-V401 PolarHBondContact O-N 3.31Å; V401-T403 VanDerWaalsContact C-N 3.33Å; V401-T403 PolarHBondContact O-N 3.01Å; V401-F404 PolarHBondContact O-N 3.1Å; V401-A405 WeakPolarHBondContact O-CB 3.26Å; V401-A405 PolarHBondContact O-N 3.39Å
402	V	97.1	Very high	95.4	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.024	24%	0.24	C	C	.	.	H	α-helix	trans	-64.1	-40.1	179.5	-178.6	0	0	0	0	111	L281 T286 L397 P398 R406	L281-V402 HydrophobicContact CB-CG1 3.99Å; L281-V402 HydrophobicContact CD1-CG1 3.75Å; L281-V402 HydrophobicContact CG-CG1 3.83Å; T286-V402 HydrophobicContact CG2-CG1 4.44Å; L397-V402 HydrophobicContact CB-CG2 4Å; P398-V402 PolarHBondContact O-N 3.49Å; V402-R406 WeakPolarHBondContact O-CB 3.33Å; V402-R406 PolarHBondContact O-N 3.46Å
403	T	96.3	Very high	95.8	Very high	83 Å²	83	43.6 Å²	43.6	51%	0.509	22%	0.224	S	C	.	.	H	α-helix	trans	-67.8	-39.8	177.6	-59.7	0	0	0	0	111.6	D399 V401 S407	D399-T403 VanDerWaalsContact O-CB 3.25Å; D399-T403 WeakPolarHBondContact O-CB 3.43Å; D399-T403 PolarHBondContact O-N 2.97Å; D399-T403 PolarHBondContact O-OG1 3.38Å; V401-T403 VanDerWaalsContact C-N 3.33Å; V401-T403 PolarHBondContact O-N 3.01Å; T403-S407 PolarHBondContact O-N 3.4Å; T403-S407 PolarHBondContact O-OG 3.04Å
404	F	97	Very high	96	Very high	18 Å²	18	44.1 Å²	44.1	8%	0.079	23%	0.228	C	C	.	.	H	α-helix	trans	-64.7	-49.9	174.8	-170.3	-77.6	0	0	0	111.4	Y358 F371 V375 P376 P380 E400 V401 R406 S407 H408	Y358-F404 AromaticContact CD1-CE1 3.93Å; Y358-F404 HydrophobicContact CD1-CE1 3.93Å; Y358-F404 AromaticContact CD2-CE1 3.67Å; Y358-F404 HydrophobicContact CD2-CE1 3.67Å; Y358-F404 AromaticContact CD2-CZ 3.79Å; Y358-F404 HydrophobicContact CD2-CZ 3.79Å; Y358-F404 HydrophobicContact CE1-CE1 4.11Å; Y358-F404 AromaticContact CE2-CE1 3.87Å; Y358-F404 HydrophobicContact CE2-CE1 3.87Å; Y358-F404 HydrophobicContact CE2-CZ 4.28Å; Y358-F404 AromaticContact CG-CE1 3.72Å; Y358-F404 HydrophobicContact CG-CE1 3.72Å; Y358-F404 HydrophobicContact CG-CZ 4.04Å; F371-F404 HydrophobicContact CD1-CE2 4.03Å; F371-F404 AromaticContact CD1-CZ 3.9Å; F371-F404 HydrophobicContact CD1-CZ 3.9Å; F371-F404 AromaticContact CE1-CE2 3.49Å; F371-F404 HydrophobicContact CE1-CE2 3.49Å; F371-F404 VanDerWaalsContact CE1-CE2 3.49Å; F371-F404 AromaticContact CE1-CZ 3.85Å; F371-F404 HydrophobicContact CE1-CZ 3.85Å; F371-F404 HydrophobicContact CE2-CE2 4.27Å; F371-F404 HydrophobicContact CG-CZ 4.4Å; F371-F404 AromaticContact CZ-CE2 3.64Å; F371-F404 HydrophobicContact CZ-CE2 3.64Å; F371-F404 HydrophobicContact CZ-CZ 4.32Å; V375-F404 HydrophobicContact CG2-CZ 4.39Å; P376-F404 HydrophobicContact CG-CB 3.69Å; P376-F404 HydrophobicContact CG-CD2 4.15Å; P376-F404 HydrophobicContact CG-CG 3.89Å; P380-F404 HydrophobicContact CB-CD1 4.05Å; P380-F404 HydrophobicContact CG-CB 4.2Å; P380-F404 HydrophobicContact CG-CD1 3.51Å; P380-F404 HydrophobicContact CG-CE1 4.21Å; P380-F404 HydrophobicContact CG-CG 4.1Å; E400-F404 VanDerWaalsContact O-CB 3.31Å; E400-F404 WeakPolarHBondContact O-CB 3.18Å; E400-F404 PolarHBondContact O-N 3.19Å; V401-F404 PolarHBondContact O-N 3.1Å; F404-R406 PolarHBondContact O-N 3.27Å; F404-S407 PolarHBondContact O-N 3.5Å; F404-S407 PolarHBondContact O-OG 3.3Å; F404-H408 HydrophobicContact CD1-CB 4Å; F404-H408 HydrophobicContact CE1-CB 3.64Å; F404-H408 AromaticContact CE1-CG 3.9Å; F404-H408 AromaticContact CE2-ND1 3.97Å; F404-H408 HydrophobicContact CZ-CB 4.12Å; F404-H408 AromaticContact CZ-CG 3.9Å; F404-H408 PolarHBondContact O-N 2.82Å; F404-H408 PolarHBondContact O-ND1 2.65Å
405	A	96.7	Very high	96.2	Very high	5 Å²	5	44.2 Å²	44.2	4%	0.041	23%	0.228	C	C	.	.	H	α-helix	trans	-57	-40	178.9	0	0	0	0	0	111.7	T286 P380 V401 S407	T286-A405 WeakPolarHBondContact O-CB 3.31Å; P380-A405 HydrophobicContact CB-CB 4.09Å; V401-A405 WeakPolarHBondContact O-CB 3.26Å; V401-A405 PolarHBondContact O-N 3.39Å; A405-S407 VanDerWaalsContact C-N 3.31Å; A405-S407 PolarHBondContact O-N 2.82Å
406	R	96.1	Very high	96.3	Very high	99 Å²	99	44.8 Å²	44.8	37%	0.374	23%	0.228	S	C	.	.	H	α-helix	trans	-60.7	-37.8	176.4	-171.7	174.2	-168.7	-159.2	-3.3	113.8	E216 W222 L281 V402 F404	E216-R406 VanDerWaalsContact CD-NE 3.32Å; E216-R406 IonicContact OE1-CZ 3.85Å; E216-R406 IonicContact OE1-NE 2.77Å; E216-R406 PolarHBondContact OE1-NE 2.72Å; E216-R406 IonicContact OE1-NH2 3.92Å; E216-R406 PolarHBondContact OE1-NH2 3.4Å; E216-R406 IonicContact OE2-CZ 3.07Å; E216-R406 IonicContact OE2-NE 3.15Å; E216-R406 PolarHBondContact OE2-NE 3.07Å; E216-R406 IonicContact OE2-NH2 2.98Å; W222-R406 HydrophobicContact CZ2-CG 4.43Å; W222-R406 PolarHBondContact NE1-O 3.41Å; L281-R406 HydrophobicContact CD1-CB 4.09Å; L281-R406 HydrophobicContact CD2-CB 4.31Å; L281-R406 HydrophobicContact CD2-CG 3.97Å; L281-R406 HydrophobicContact CG-CB 4.43Å; V402-R406 WeakPolarHBondContact O-CB 3.33Å; V402-R406 PolarHBondContact O-N 3.46Å; F404-R406 PolarHBondContact O-N 3.27Å
407	S	94.6	Very high	96.4	Very high	38 Å²	38	40.7 Å²	40.7	27%	0.266	21%	0.206	S	C	.	.	H	α-helix	trans	-93.2	-21.6	-173.6	48	0	0	0	0	113.6	T403 F404 A405 P409	T403-S407 PolarHBondContact O-N 3.4Å; T403-S407 PolarHBondContact O-OG 3.04Å; F404-S407 PolarHBondContact O-N 3.5Å; F404-S407 PolarHBondContact O-OG 3.3Å; A405-S407 VanDerWaalsContact C-N 3.31Å; A405-S407 PolarHBondContact O-N 2.82Å; S407-P409 WeakPolarHBondContact O-CD 3.18Å
408	H	95.9	Very high	96.4	Very high	21 Å²	21	41.8 Å²	41.8	10%	0.097	21%	0.212	C	C	.	.			trans	-126.8	58.7	-174.4	-60.5	83.2	0	0	0	113.2	Y358 H360 F371 F404 A410	Y358-H408 HydrophobicContact CD1-CB 4.32Å; Y358-H408 HydrophobicContact CG-CB 4.47Å; H360-H408 AromaticContact CE1-NE2 3.89Å; H360-H408 AromaticContact ND1-CD2 3.86Å; H360-H408 AromaticContact ND1-NE2 3.03Å; H360-H408 PolarHBondContact ND1-NE2 2.97Å; F371-H408 AromaticContact CD2-NE2 3.91Å; F404-H408 HydrophobicContact CD1-CB 4Å; F404-H408 HydrophobicContact CE1-CB 3.64Å; F404-H408 AromaticContact CE1-CG 3.9Å; F404-H408 AromaticContact CE2-ND1 3.97Å; F404-H408 HydrophobicContact CZ-CB 4.12Å; F404-H408 AromaticContact CZ-CG 3.9Å; F404-H408 PolarHBondContact O-N 2.82Å; F404-H408 PolarHBondContact O-ND1 2.65Å; H408-A410 VanDerWaalsContact C-N 3.28Å; H408-A410 PolarHBondContact O-N 2.78Å
409	P	96.6	Very high	96.1	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.019	22%	0.217	C	C	.	.			trans	-75	-13.5	179.3	31.8	-37.3	0	0	0	113.7	R221 W222 F288 L289 K290 S407	R221-P409 HydrophobicContact CB-CG 4.08Å; R221-P409 WeakPolarHBondContact O-CG 3.37Å; W222-P409 HydrophobicContact CG-CG 4.29Å; F288-P409 HydrophobicContact CD1-CB 4.08Å; F288-P409 HydrophobicContact CE1-CB 4.32Å; L289-P409 CarbonylContact C-O 3.59Å; L289-P409 WeakPolarHBondContact CA-O 3.25Å; K290-P409 PolarHBondContact N-O 2.69Å; S407-P409 WeakPolarHBondContact O-CD 3.18Å
410	A	96.8	Very high	95.9	Very high	9 Å²	9	44.1 Å²	44.1	7%	0.074	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-102.2	140.9	-175.7	0	0	0	0	0	112.1	K290 A359 H408	K290-A410 HydrophobicContact CG-CB 4.26Å; K290-A410 CarbonylContact O-C 3.54Å; K290-A410 WeakPolarHBondContact O-CA 3.31Å; A359-A410 HydrophobicContact CB-CB 4.06Å; A359-A410 WeakPolarHBondContact CB-O 3.39Å; A359-A410 PolarHBondContact N-O 3.3Å; H408-A410 VanDerWaalsContact C-N 3.28Å; H408-A410 PolarHBondContact O-N 2.78Å
411	M	97.9	Very high	95.7	Very high	7 Å²	7	43 Å²	43	3%	0.034	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-88.6	143	171.3	-52.5	-48.8	-61.2	0	0	110.5	L289 K290 A291 A353 F354 G356 Y358	L289-M411 HydrophobicContact CB-SD 4.34Å; L289-M411 HydrophobicContact CD1-SD 3.95Å; L289-M411 HydrophobicContact CD2-SD 4.17Å; L289-M411 HydrophobicContact CG-SD 4.4Å; K290-M411 PolarHBondContact O-N 2.83Å; A291-M411 HydrophobicContact CB-CB 4.14Å; A291-M411 HydrophobicContact CB-CG 4.3Å; A353-M411 WeakPolarHBondContact O-CE 3.02Å; F354-M411 HydrophobicContact CD1-CG 3.71Å; F354-M411 HydrophobicContact CD1-SD 4.4Å; F354-M411 HydrophobicContact CE1-CG 4.17Å; F354-M411 WeakPolarHBondContact O-CE 3.32Å; G356-M411 WeakPolarHBondContact O-CE 3.44Å; Y358-M411 HydrophobicContact CD1-CE 4.1Å; Y358-M411 HydrophobicContact CD1-SD 3.84Å; Y358-M411 HydrophobicContact CE1-CE 4.22Å; Y358-M411 HydrophobicContact CE1-SD 4Å; Y358-M411 HydrophobicContact CG-CE 4.42Å
412	F	96.1	Very high	95.6	Very high	82 Å²	82	43.6 Å²	43.6	36%	0.36	22%	0.219	S	C	.	.	S	Bend	trans	-76.4	-43.4	179.4	-179.8	-100.5	0	0	0	111.7	P357 A359 V369 P370	P357-F412 HydrophobicContact CG-CB 4.22Å; P357-F412 HydrophobicContact CG-CD1 4.34Å; P357-F412 WeakPolarHBondContact O-CB 3.33Å; P357-F412 PolarHBondContact O-N 3.36Å; A359-F412 HydrophobicContact CB-CB 4.22Å; V369-F412 VanDerWaalsContact C-CD2 3.46Å; P370-F412 HydrophobicContact CB-CB 4.33Å; P370-F412 HydrophobicContact CB-CD1 3.72Å; P370-F412 HydrophobicContact CB-CD2 4.31Å; P370-F412 HydrophobicContact CB-CE1 4.08Å; P370-F412 HydrophobicContact CB-CG 3.84Å; P370-F412 HydrophobicContact CG-CD1 4.21Å; P370-F412 HydrophobicContact CG-CE1 4.04Å; P370-F412 HydrophobicContact CG-CZ 4.24Å
413	N	97.3	Very high	95.4	Very high	65 Å²	65	44.5 Å²	44.5	35%	0.348	22%	0.224	S	C	.	.	S	Bend	trans	-72.8	129.6	178.9	-71.4	-2	0	0	0	110.5
414	P	97.1	Very high	95.2	Very high	39 Å²	39	40.8 Å²	40.8	25%	0.253	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-76.5	167.3	170.3	33.3	-35.3	0	0	0	111.6	R292 I294 Y416	R292-P414 HydrophobicContact CB-CB 4.2Å; R292-P414 CarbonylContact O-C 3.44Å; R292-P414 WeakPolarHBondContact O-CA 3.45Å; I294-P414 HydrophobicContact CD1-CB 4.22Å; I294-P414 HydrophobicContact CG1-CB 3.62Å; I294-P414 HydrophobicContact CG1-CG 4.21Å; P414-Y416 HydrophobicContact CG-CD2 4.23Å; P414-Y416 HydrophobicContact CG-CE2 3.54Å
415	V	98.6	Very high	95.1	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-100	117.6	168.6	-175.9	0	0	0	0	108	I267 A291 R292 L293 I294 Y345 I350 A353	I267-V415 HydrophobicContact CG2-CG2 4.36Å; A291-V415 HydrophobicContact CB-CG2 4.19Å; R292-V415 PolarHBondContact O-N 2.88Å; L293-V415 HydrophobicContact CD2-CB 3.91Å; L293-V415 HydrophobicContact CD2-CG1 4.05Å; I294-V415 PolarHBondContact N-O 2.78Å; Y345-V415 HydrophobicContact CD1-CG1 3.85Å; I350-V415 HydrophobicContact CG1-CG1 3.72Å; I350-V415 HydrophobicContact CG1-CG2 4.32Å; A353-V415 HydrophobicContact CB-CG2 3.56Å
416	Y	97.4	Very high	94.8	Very high	113 Å²	113	42.3 Å²	42.3	44%	0.443	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-89.4	153.6	174.3	-73.8	-82.1	0	0	0	111.2	I294 Y345 P414 N420	I294-Y416 HydrophobicContact CB-CD1 3.94Å; I294-Y416 HydrophobicContact CB-CE1 4.09Å; I294-Y416 HydrophobicContact CG1-CD1 4.33Å; I294-Y416 HydrophobicContact CG1-CE1 4.11Å; I294-Y416 HydrophobicContact CG2-CD1 3.86Å; I294-Y416 HydrophobicContact CG2-CE1 3.78Å; Y345-Y416 WeakPolarHBondContact CD1-O 3.36Å; P414-Y416 HydrophobicContact CG-CD2 4.23Å; P414-Y416 HydrophobicContact CG-CE2 3.54Å; Y416-N420 WeakPolarHBondContact CB-OD1 3.16Å
417	P	96.3	Very high	94.5	Very high	3 Å²	3	41 Å²	41	2%	0.019	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-73.7	161.2	175.5	32	-27.6	0	0	0	109.9	I294 C343 M344 Y345 N419 N420	I294-P417 VanDerWaalsContact O-CD 3.23Å; I294-P417 WeakPolarHBondContact O-CD 3.12Å; C343-P417 HydrophobicContact CB-CB 3.89Å; M344-P417 CarbonylContact O-C 3.55Å; M344-P417 WeakPolarHBondContact O-CA 3.23Å; M344-P417 VanDerWaalsContact O-CB 3.26Å; M344-P417 WeakPolarHBondContact O-CB 3.21Å; Y345-P417 HydrophobicContact CD1-CB 4.23Å; Y345-P417 HydrophobicContact CE1-CB 3.92Å; P417-N419 PolarHBondContact O-N 2.99Å; P417-N420 WeakPolarHBondContact O-CA 3.41Å; P417-N420 PolarHBondContact O-N 3.05Å
418	I	92.9	Very high	94	Very high	43 Å²	43	46.5 Å²	46.5	22%	0.221	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-54.9	129.6	175.6	-58	175.6	0	0	0	108.3	M344 N420	M344-I418 HydrophobicContact CB-CD1 4.16Å; M344-I418 HydrophobicContact CB-CG1 4.47Å; M344-I418 HydrophobicContact CE-CD1 4.48Å; M344-I418 PolarHBondContact O-N 2.96Å; I418-N420 PolarHBondContact O-N 2.86Å
419	N	89.2	Confident	93.6	Very high	74 Å²	74	47.5 Å²	47.5	40%	0.396	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	64.5	15.1	-174.1	-45.7	-53.5	0	0	0	116.2	P417 K421 H472	P417-N419 PolarHBondContact O-N 2.99Å; N419-K421 HydrophobicContact CB-CG 4.29Å; N419-K421 PolarHBondContact O-N 2.82Å; N419-K421 VanDerWaalsContact O-N 3.12Å; N419-H472 PolarHBondContact ND2-O 3.47Å; N419-H472 WeakPolarHBondContact OD1-CB 3.25Å; N419-H472 PolarHBondContact OD1-O 2.78Å
420	N	92.3	Very high	93.2	Very high	102 Å²	102	52.4 Å²	52.4	55%	0.545	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	56	26	177.9	-56	-35	0	0	0	114.4	Y416 P417 I418	Y416-N420 WeakPolarHBondContact CB-OD1 3.16Å; P417-N420 WeakPolarHBondContact O-CA 3.41Å; P417-N420 PolarHBondContact O-N 3.05Å; I418-N420 PolarHBondContact O-N 2.86Å
421	K	91.3	Very high	93	Very high	91 Å²	91	52.6 Å²	52.6	40%	0.396	27%	0.272	S	S	.	.	S	Bend	trans	-144.7	152.3	177.5	65.4	-179.7	-177.2	175.1	0	111.4	N419 D473	N419-K421 HydrophobicContact CB-CG 4.29Å; N419-K421 PolarHBondContact O-N 2.82Å; N419-K421 VanDerWaalsContact O-N 3.12Å; K421-D473 IonicContact NZ-OD1 2.88Å
422	P	94.4	Very high	92.9	Very high	16 Å²	16	54.4 Å²	54.4	10%	0.104	28%	0.28	C	S	.	.			trans	-64.5	154.6	168.2	27	-35.2	0	0	0	111.6	S296 V297 A341 V342 V425	S296-P422 WeakPolarHBondContact O-CD 3.44Å; V297-P422 HydrophobicContact CG2-CG 3.6Å; A341-P422 HydrophobicContact CB-CB 4.12Å; V342-P422 CarbonylContact O-C 3.58Å; V342-P422 WeakPolarHBondContact O-CA 3.36Å; V342-P422 WeakPolarHBondContact O-CB 3.26Å; P422-V425 HydrophobicContact CB-CG2 3.84Å; P422-V425 HydrophobicContact CG-CG2 3.27Å
423	I	92.4	Very high	93	Very high	23 Å²	23	50.6 Å²	50.6	12%	0.118	26%	0.263	C	S	.	.	S	Bend	trans	-88.2	-23	173.1	57.2	159.2	0	0	0	113	Y327 V342 M344 M451 L474	Y327-I423 HydrophobicContact CD1-CD1 4.04Å; Y327-I423 HydrophobicContact CE1-CD1 3.72Å; V342-I423 HydrophobicContact CB-CD1 4.33Å; V342-I423 HydrophobicContact CB-CG1 3.97Å; V342-I423 HydrophobicContact CG1-CD1 3.81Å; V342-I423 HydrophobicContact CG1-CG1 3.88Å; V342-I423 WeakPolarHBondContact O-CG1 3.46Å; V342-I423 PolarHBondContact O-N 2.84Å; M344-I423 HydrophobicContact CG-CD1 3.91Å; M344-I423 HydrophobicContact CG-CG1 4.35Å; M344-I423 HydrophobicContact CG-CG2 4.09Å; M344-I423 HydrophobicContact SD-CD1 3.88Å; M344-I423 HydrophobicContact SD-CG2 3.62Å; I423-M451 HydrophobicContact CD1-CE 3.89Å; I423-M451 HydrophobicContact CD1-SD 3.53Å; I423-M451 VanDerWaalsContact CD1-SD 3.53Å; I423-L474 HydrophobicContact CG2-CD1 4.21Å
424	I	93.4	Very high	93	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	135.4	176.9	-59.7	171.4	0	0	0	107.3	A341 V342 K426 F433 M451 I453 V463 E476	A341-I424 CarbonylContact C-O 3.48Å; A341-I424 WeakPolarHBondContact CA-O 3.17Å; V342-I424 HydrophobicContact CB-CB 4.12Å; V342-I424 HydrophobicContact CB-CD1 4.39Å; V342-I424 HydrophobicContact CB-CG1 4.48Å; V342-I424 HydrophobicContact CG2-CB 4.25Å; V342-I424 HydrophobicContact CG2-CD1 4.26Å; V342-I424 PolarHBondContact N-O 2.91Å; V342-I424 PolarHBondContact O-N 2.73Å; I424-K426 HydrophobicContact CG2-CG 4.48Å; I424-F433 HydrophobicContact CG2-CE2 4.02Å; I424-F433 HydrophobicContact CG2-CZ 4.18Å; I424-M451 HydrophobicContact CD1-CE 3.85Å; I424-M451 HydrophobicContact CD1-SD 3.69Å; I424-I453 HydrophobicContact CD1-CD1 3.63Å; I424-V463 HydrophobicContact CD1-CB 4.16Å; I424-V463 HydrophobicContact CD1-CG1 3.79Å; I424-V463 HydrophobicContact CD1-CG2 4.3Å; I424-V463 HydrophobicContact CG1-CG1 4.44Å; I424-E476 HydrophobicContact CG1-CB 3.99Å; I424-E476 HydrophobicContact CG1-CG 4.31Å
425	V	93.4	Very high	93.1	Very high	37 Å²	37	49 Å²	49	22%	0.224	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	130.3	172.4	-178	0	0	0	0	109.7	V297 F307 P422 T427	V297-V425 HydrophobicContact CG2-CG1 4.41Å; V297-V425 HydrophobicContact CG2-CG2 3.72Å; F307-V425 HydrophobicContact CZ-CG1 3.92Å; P422-V425 HydrophobicContact CB-CG2 3.84Å; P422-V425 HydrophobicContact CG-CG2 3.27Å; V425-T427 HydrophobicContact CG1-CG2 4.05Å
426	K	92	Very high	93.1	Very high	18 Å²	18	49 Å²	49	8%	0.078	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	115	174.2	-69.5	-59.8	-173	-167	0	110.3	N30 G339 S340 I424 V429 F433	N30-K426 VanDerWaalsContact CG-NZ 3.34Å; N30-K426 PolarHBondContact O-NZ 2.87Å; N30-K426 PolarHBondContact OD1-NZ 2.89Å; G339-K426 CarbonylContact C-O 3.51Å; G339-K426 VanDerWaalsContact CA-O 3.29Å; G339-K426 WeakPolarHBondContact CA-O 3.42Å; S340-K426 PolarHBondContact N-O 2.82Å; S340-K426 PolarHBondContact O-N 2.76Å; I424-K426 HydrophobicContact CG2-CG 4.48Å; K426-V429 HydrophobicContact CB-CG2 4.06Å; K426-F433 HydrophobicContact CB-CE1 4.44Å; K426-F433 HydrophobicContact CB-CZ 4.09Å; K426-F433 HydrophobicContact CG-CE1 4.11Å; K426-F433 HydrophobicContact CG-CE2 4.44Å; K426-F433 HydrophobicContact CG-CZ 3.56Å
427	T	88.6	Confident	93.1	Very high	71 Å²	71	43.8 Å²	43.8	44%	0.436	23%	0.231	S	C	.	.			trans	-124.7	-18.9	-178.8	51.1	0	0	0	0	113.9	F307 V425	F307-T427 HydrophobicContact CZ-CG2 4.35Å; V425-T427 HydrophobicContact CG1-CG2 4.05Å
428	D	83.5	Confident	93.2	Very high	155 Å²	155	44 Å²	44	83%	0.829	23%	0.232	S	C	*	.	S	Bend	trans	-107.4	41.5	-174	-57	-31.8	0	0	0	111.7
429	V	87.7	Confident	93.3	Very high	42 Å²	42	42.6 Å²	42.6	26%	0.255	23%	0.225	S	C	.	.	S	Bend	trans	-135.2	155.5	-178.8	-66.2	0	0	0	0	110.2	K426 Y431	K426-V429 HydrophobicContact CB-CG2 4.06Å; V429-Y431 VanDerWaalsContact C-N 3.29Å; V429-Y431 HydrophobicContact CB-CD1 4.12Å; V429-Y431 HydrophobicContact CB-CD2 4.38Å; V429-Y431 HydrophobicContact CB-CE1 3.89Å; V429-Y431 HydrophobicContact CB-CE2 4.12Å; V429-Y431 HydrophobicContact CB-CG 4.39Å; V429-Y431 HydrophobicContact CG1-CE1 4.1Å; V429-Y431 HydrophobicContact CG1-CE2 4.44Å; V429-Y431 HydrophobicContact CG2-CD1 4.5Å; V429-Y431 HydrophobicContact CG2-CD2 3.89Å; V429-Y431 HydrophobicContact CG2-CE1 4.37Å; V429-Y431 HydrophobicContact CG2-CE2 3.69Å; V429-Y431 HydrophobicContact CG2-CG 4.29Å
430	D	88.3	Confident	93.6	Very high	106 Å²	106	43.5 Å²	43.5	57%	0.567	23%	0.226	S	C	*	.	S	Bend	trans	-84.6	-3.4	-177.5	64.2	-23.7	0	0	0	113.9	K338	K338-D430 WeakPolarHBondContact CD-O 3.4Å; K338-D430 PolarHBondContact NZ-O 2.84Å
431	Y	92.8	Very high	93.7	Very high	13 Å²	13	39.2 Å²	39.2	5%	0.051	20%	0.203	C	C	.	.			trans	-112.2	160.8	179.9	58.9	-106.8	0	0	0	113.5	V429 F433 T455 D456 L461	V429-Y431 VanDerWaalsContact C-N 3.29Å; V429-Y431 HydrophobicContact CB-CD1 4.12Å; V429-Y431 HydrophobicContact CB-CD2 4.38Å; V429-Y431 HydrophobicContact CB-CE1 3.89Å; V429-Y431 HydrophobicContact CB-CE2 4.12Å; V429-Y431 HydrophobicContact CB-CG 4.39Å; V429-Y431 HydrophobicContact CG1-CE1 4.1Å; V429-Y431 HydrophobicContact CG1-CE2 4.44Å; V429-Y431 HydrophobicContact CG2-CD1 4.5Å; V429-Y431 HydrophobicContact CG2-CD2 3.89Å; V429-Y431 HydrophobicContact CG2-CE1 4.37Å; V429-Y431 HydrophobicContact CG2-CE2 3.69Å; V429-Y431 HydrophobicContact CG2-CG 4.29Å; Y431-F433 HydrophobicContact CE2-CD1 4.48Å; Y431-F433 HydrophobicContact CE2-CE1 4.01Å; Y431-T455 HydrophobicContact CD2-CG2 3.6Å; Y431-T455 HydrophobicContact CE2-CG2 4Å; Y431-T455 HydrophobicContact CG-CG2 4.07Å; Y431-D456 WeakPolarHBondContact CA-OD1 3.31Å; Y431-D456 VanDerWaalsContact CB-OD1 3.25Å; Y431-D456 WeakPolarHBondContact CB-OD1 3.3Å; Y431-L461 HydrophobicContact CE2-CD1 4.05Å
432	Q	95.9	Very high	93.7	Very high	45 Å²	45	40 Å²	40	21%	0.21	21%	0.208	C	C	.	.			trans	-119.5	149.6	171.6	-69.8	-174	-44.5	0	0	111	T331 K338 S340 T455 D456	T331-Q432 HydrophobicContact CG2-CB 4Å; T331-Q432 HydrophobicContact CG2-CG 4.38Å; K338-Q432 HydrophobicContact CB-CG 4.16Å; K338-Q432 HydrophobicContact CD-CG 4.41Å; K338-Q432 HydrophobicContact CG-CG 4.34Å; S340-Q432 WeakPolarHBondContact OG-CA 3.38Å; Q432-T455 CarbonylContact O-C 3.57Å; Q432-T455 WeakPolarHBondContact O-CA 3.2Å; Q432-D456 PolarHBondContact N-OD1 2.9Å; Q432-D456 PolarHBondContact O-N 3.09Å
433	F	98.1	Very high	93.6	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.009	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	140.7	174.2	-62	-13.3	0	0	0	110.8	V329 S340 V342 I424 K426 Y431 I453 G454 T455 L461	V329-F433 HydrophobicContact CG1-CB 3.4Å; V329-F433 HydrophobicContact CG1-CD2 4.32Å; V329-F433 HydrophobicContact CG1-CG 4.38Å; S340-F433 VanDerWaalsContact CB-CD2 3.42Å; S340-F433 VanDerWaalsContact CB-CG 3.43Å; S340-F433 PolarHBondContact OG-N 2.04Å; V342-F433 HydrophobicContact CG2-CD2 4.02Å; V342-F433 HydrophobicContact CG2-CE2 4.01Å; I424-F433 HydrophobicContact CG2-CE2 4.02Å; I424-F433 HydrophobicContact CG2-CZ 4.18Å; K426-F433 HydrophobicContact CB-CE1 4.44Å; K426-F433 HydrophobicContact CB-CZ 4.09Å; K426-F433 HydrophobicContact CG-CE1 4.11Å; K426-F433 HydrophobicContact CG-CE2 4.44Å; K426-F433 HydrophobicContact CG-CZ 3.56Å; Y431-F433 HydrophobicContact CE2-CD1 4.48Å; Y431-F433 HydrophobicContact CE2-CE1 4.01Å; F433-I453 HydrophobicContact CB-CG2 3.89Å; F433-I453 HydrophobicContact CD1-CG2 3.66Å; F433-I453 HydrophobicContact CD2-CG2 3.77Å; F433-I453 HydrophobicContact CE1-CG2 4.06Å; F433-I453 HydrophobicContact CE2-CD1 4.18Å; F433-I453 HydrophobicContact CE2-CG2 4.16Å; F433-I453 HydrophobicContact CG-CG2 3.5Å; F433-I453 VanDerWaalsContact CG-CG2 3.5Å; F433-I453 HydrophobicContact CZ-CD1 4.39Å; F433-I453 HydrophobicContact CZ-CG2 4.28Å; F433-G454 WeakPolarHBondContact CA-O 3.21Å; F433-T455 HydrophobicContact CD1-CG2 4.49Å; F433-L461 HydrophobicContact CD1-CD1 4.43Å; F433-L461 HydrophobicContact CE1-CD1 3.46Å; F433-L461 VanDerWaalsContact CE1-CD1 3.46Å; F433-L461 HydrophobicContact CZ-CD1 3.94Å
434	T	98.2	Very high	93.5	Very high	25 Å²	25	42.3 Å²	42.3	15%	0.153	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	-50.1	-176.7	56.8	0	0	0	0	113	G454 D456 I491	T434-G454 PolarHBondContact N-O 3Å; T434-G454 PolarHBondContact OG1-O 3.19Å; T434-D456 HydrophobicContact CG2-CB 3.97Å; T434-I491 WeakPolarHBondContact CB-O 3.24Å; T434-I491 PolarHBondContact OG1-O 3.06Å
435	K	98.3	Very high	93.3	Very high	44 Å²	44	46 Å²	46	19%	0.191	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	153.4	-174.9	-68.9	-58	-175.9	-168.4	0	111.2	D312 I453 G454 T492 M494	D312-K435 HydrophobicContact CB-CD 4.12Å; D312-K435 WeakPolarHBondContact OD1-CD 3.42Å; D312-K435 IonicContact OD1-NZ 2.95Å; D312-K435 PolarHBondContact OD1-NZ 3.43Å; D312-K435 WeakPolarHBondContact OD2-CA 3.44Å; D312-K435 VanDerWaalsContact OD2-CD 3.25Å; D312-K435 WeakPolarHBondContact OD2-CD 3.43Å; K435-I453 CarbonylContact O-C 3.6Å; K435-G454 PolarHBondContact O-N 3.07Å; K435-T492 WeakPolarHBondContact CE-O 3.44Å; K435-M494 HydrophobicContact CB-CB 3.88Å; K435-M494 HydrophobicContact CB-CE 4.12Å
436	M	98.3	Very high	93.1	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	142.4	175.7	-179.6	177.9	69.3	0	0	112.7	D312 Y327 V329 V342 V438 M451 F452 I453	D312-M436 PolarHBondContact OD2-N 2.94Å; Y327-M436 HydrophobicContact CD1-CE 4.14Å; Y327-M436 HydrophobicContact CG-CE 4.15Å; V329-M436 HydrophobicContact CG2-CB 3.55Å; V329-M436 HydrophobicContact CG2-CE 3.8Å; V329-M436 HydrophobicContact CG2-CG 4.45Å; V329-M436 HydrophobicContact CG2-SD 4.1Å; V342-M436 HydrophobicContact CG1-CE 3.8Å; V342-M436 HydrophobicContact CG1-SD 3.91Å; V342-M436 HydrophobicContact CG2-SD 4.15Å; M436-V438 HydrophobicContact CE-CG2 4.17Å; M436-V438 HydrophobicContact CG-CG2 4.17Å; M436-V438 HydrophobicContact SD-CG2 4.24Å; M436-M451 HydrophobicContact SD-CB 4.31Å; M436-M451 HydrophobicContact SD-CG 4.26Å; M436-M451 HydrophobicContact SD-SD 4.37Å; M436-F452 VanDerWaalsContact CA-O 3.29Å; M436-F452 WeakPolarHBondContact CA-O 3.45Å; M436-F452 WeakPolarHBondContact CG-O 3.49Å; M436-I453 HydrophobicContact CB-CG1 4.49Å; M436-I453 HydrophobicContact CG-CG1 3.96Å; M436-I453 HydrophobicContact SD-CD1 4.31Å; M436-I453 HydrophobicContact SD-CG1 3.87Å
437	V	98.3	Very high	93.1	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.024	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	152.7	165.6	-62.1	0	0	0	0	109.1	F314 F452 M494 L496 L503	F314-V437 HydrophobicContact CD2-CB 4.26Å; F314-V437 HydrophobicContact CD2-CG1 4.17Å; F314-V437 HydrophobicContact CE2-CB 4Å; F314-V437 HydrophobicContact CE2-CG1 4.04Å; V437-F452 HydrophobicContact CG2-CB 3.89Å; V437-F452 HydrophobicContact CG2-CD2 4.35Å; V437-F452 PolarHBondContact N-O 3.45Å; V437-F452 VanDerWaalsContact N-O 3.09Å; V437-F452 PolarHBondContact O-N 3.48Å; V437-M494 HydrophobicContact CB-SD 4.39Å; V437-M494 HydrophobicContact CG1-CB 4.36Å; V437-M494 HydrophobicContact CG1-CG 3.83Å; V437-M494 HydrophobicContact CG1-SD 4.17Å; V437-M494 HydrophobicContact CG2-CG 4.02Å; V437-M494 HydrophobicContact CG2-SD 3.72Å; V437-L496 HydrophobicContact CB-CB 3.95Å; V437-L496 HydrophobicContact CB-CD2 4.39Å; V437-L496 HydrophobicContact CG1-CB 4.25Å; V437-L496 HydrophobicContact CG2-CB 3.85Å; V437-L496 HydrophobicContact CG2-CD2 4.36Å; V437-L503 HydrophobicContact CG2-CD1 3.48Å; V437-L503 VanDerWaalsContact CG2-CD1 3.48Å
438	V	97.3	Very high	93.4	Very high	6 Å²	6	46 Å²	46	4%	0.036	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	128.6	-177.9	-167.9	0	0	0	0	109.2	F314 I316 Y327 M436 D449 V450 M451	F314-V438 HydrophobicContact CD1-CB 3.79Å; F314-V438 HydrophobicContact CD1-CG2 3.79Å; F314-V438 HydrophobicContact CE1-CB 3.81Å; F314-V438 HydrophobicContact CE1-CG2 4.32Å; F314-V438 WeakPolarHBondContact CE1-O 3.36Å; F314-V438 HydrophobicContact CG-CG2 4.42Å; F314-V438 WeakPolarHBondContact CZ-O 3.26Å; I316-V438 HydrophobicContact CD1-CB 3.56Å; I316-V438 HydrophobicContact CD1-CG1 3.39Å; I316-V438 HydrophobicContact CD1-CG2 4.48Å; I316-V438 HydrophobicContact CG1-CB 4.32Å; Y327-V438 HydrophobicContact CD1-CG2 4.32Å; Y327-V438 HydrophobicContact CD2-CG2 4.41Å; Y327-V438 HydrophobicContact CG-CG2 4.23Å; M436-V438 HydrophobicContact CE-CG2 4.17Å; M436-V438 HydrophobicContact CG-CG2 4.17Å; M436-V438 HydrophobicContact SD-CG2 4.24Å; V438-D449 HydrophobicContact CG1-CB 4.05Å; V438-V450 WeakPolarHBondContact CA-O 3.34Å; V438-M451 HydrophobicContact CB-CG 4.45Å; V438-M451 HydrophobicContact CG1-CG 3.89Å; V438-M451 HydrophobicContact CG2-CG 3.84Å
439	D	96.3	Very high	93.9	Very high	15 Å²	15	39.9 Å²	39.9	8%	0.08	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	144.3	172.9	-164.2	10.3	0	0	0	110.3	V441 D449 V450 L496 T498 Y536	D439-V441 HydrophobicContact CB-CG2 4.08Å; D439-D449 WeakPolarHBondContact O-CA 3.44Å; D439-V450 PolarHBondContact N-O 2.98Å; D439-V450 PolarHBondContact O-N 3.26Å; D439-L496 HydrophobicContact CB-CD2 3.83Å; D439-T498 WeakPolarHBondContact OD1-CG2 3.2Å; D439-Y536 WeakPolarHBondContact CB-OH 3.19Å; D439-Y536 VanDerWaalsContact CG-OH 3.26Å; D439-Y536 PolarHBondContact OD2-OH 2.91Å
440	K	94.3	Very high	94.3	Very high	92 Å²	92	37.9 Å²	37.9	40%	0.4	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	104.5	173.9	-175.2	177.2	-64.5	-61.7	0	108.3	L447 Y448 D449	K440-L447 HydrophobicContact CD-CD1 4.33Å; K440-L447 HydrophobicContact CG-CB 4.28Å; K440-L447 HydrophobicContact CG-CD2 4.3Å; K440-Y448 WeakPolarHBondContact CA-O 3.19Å; K440-D449 IonicContact NZ-OD1 2.66Å; K440-D449 PolarHBondContact NZ-OD1 2.7Å; K440-D449 IonicContact NZ-OD2 2.84Å
441	V	94.6	Very high	94.8	Very high	12 Å²	12	32.9 Å²	32.9	7%	0.073	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	131.9	-167.4	-170.6	0	0	0	0	110.3	D439 L447 Y448 V450 P535 Y536	D439-V441 HydrophobicContact CB-CG2 4.08Å; V441-L447 WeakPolarHBondContact O-CA 3.4Å; V441-Y448 PolarHBondContact N-O 2.97Å; V441-Y448 PolarHBondContact O-N 3.28Å; V441-V450 HydrophobicContact CB-CG2 4.26Å; V441-V450 HydrophobicContact CG2-CB 4.12Å; V441-V450 HydrophobicContact CG2-CG2 3.65Å; V441-P535 HydrophobicContact CB-CB 4Å; V441-P535 HydrophobicContact CG1-CB 3.8Å; V441-Y536 HydrophobicContact CB-CE1 4.31Å; V441-Y536 HydrophobicContact CG1-CD1 3.68Å; V441-Y536 HydrophobicContact CG1-CE1 3.73Å; V441-Y536 HydrophobicContact CG1-CG 4.11Å; V441-Y536 HydrophobicContact CG2-CD1 4.27Å; V441-Y536 HydrophobicContact CG2-CD2 4.45Å; V441-Y536 HydrophobicContact CG2-CE1 3.53Å; V441-Y536 HydrophobicContact CG2-CE2 3.77Å; V441-Y536 VanDerWaalsContact CG2-OH 3.31Å; V441-Y536 WeakPolarHBondContact CG2-OH 3.49Å
442	E	92.7	Very high	95.1	Very high	107 Å²	107	32.2 Å²	32.2	50%	0.5	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	127.3	172.3	-170.8	174.8	-168.8	0	0	110.5	L447 Y547	E442-L447 HydrophobicContact CB-CD2 3.88Å; E442-L447 HydrophobicContact CG-CD2 4.36Å; E442-Y547 WeakPolarHBondContact O-CD1 3.4Å; E442-Y547 WeakPolarHBondContact O-CE1 3.49Å
443	A	92.6	Very high	95.2	Very high	4 Å²	4	30.1 Å²	30.1	3%	0.033	16%	0.156	C	C	.	.			trans	-117.7	179.7	173.2	0	0	0	0	0	109.9	D445 G446 Y448 P535 Y547 I560	A443-D445 VanDerWaalsContact C-N 3.3Å; A443-D445 PolarHBondContact O-N 2.98Å; A443-G446 PolarHBondContact N-O 3.2Å; A443-Y448 HydrophobicContact CB-CD2 3.8Å; A443-Y448 HydrophobicContact CB-CE2 3.94Å; A443-P535 HydrophobicContact CB-CB 4.31Å; A443-Y547 PolarHBondContact O-OH 2.77Å; A443-I560 HydrophobicContact CB-CG1 3.95Å
444	E	89.1	Confident	95.2	Very high	85 Å²	85	30 Å²	30	40%	0.397	16%	0.155	S	C	.	.	S	Bend	trans	-62.3	-34.5	-179.9	-178.9	162.8	-165	0	0	113.3	Y547 Q558	E444-Y547 WeakPolarHBondContact CA-OH 3.46Å; E444-Y547 HydrophobicContact CB-CE2 4.22Å; E444-Y547 PolarHBondContact N-OH 2.89Å; E444-Q558 HydrophobicContact CB-CB 4.19Å; E444-Q558 PolarHBondContact OE2-N 3.4Å
445	D	89	Confident	95.2	Very high	82 Å²	82	28.8 Å²	28.8	44%	0.439	15%	0.148	S	C	.	.	S	Bend	trans	-104.8	-6.1	-175	65.3	-38.1	0	0	0	114.4	A443 Y448	A443-D445 VanDerWaalsContact C-N 3.3Å; A443-D445 PolarHBondContact O-N 2.98Å; D445-Y448 VanDerWaalsContact OD1-CE2 3.28Å; D445-Y448 WeakPolarHBondContact OD1-CE2 3.38Å; D445-Y448 PolarHBondContact OD2-OH 2.88Å
446	G	90.3	Very high	95.2	Very high	28 Å²	28	28.6 Å²	28.6	29%	0.289	15%	0.149	S	C	.	.			trans	158.2	-164.4	176.1	0	0	0	0	0	114.9	A443	A443-G446 PolarHBondContact N-O 3.2Å
447	L	91.8	Very high	95.1	Very high	85 Å²	85	31.6 Å²	31.6	45%	0.445	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	134.1	177.1	-68.1	164.6	0	0	0	110.2	K440 V441 E442	K440-L447 HydrophobicContact CD-CD1 4.33Å; K440-L447 HydrophobicContact CG-CB 4.28Å; K440-L447 HydrophobicContact CG-CD2 4.3Å; V441-L447 WeakPolarHBondContact O-CA 3.4Å; E442-L447 HydrophobicContact CB-CD2 3.88Å; E442-L447 HydrophobicContact CG-CD2 4.36Å
448	Y	93.8	Very high	95	Very high	11 Å²	11	31.4 Å²	31.4	4%	0.043	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	143.4	178.4	-72.4	-87.5	0	0	0	111.2	K440 V441 A443 D445 V464 I466 P535 I560	K440-Y448 WeakPolarHBondContact CA-O 3.19Å; V441-Y448 PolarHBondContact N-O 2.97Å; V441-Y448 PolarHBondContact O-N 3.28Å; A443-Y448 HydrophobicContact CB-CD2 3.8Å; A443-Y448 HydrophobicContact CB-CE2 3.94Å; D445-Y448 VanDerWaalsContact OD1-CE2 3.28Å; D445-Y448 WeakPolarHBondContact OD1-CE2 3.38Å; D445-Y448 PolarHBondContact OD2-OH 2.88Å; Y448-V464 HydrophobicContact CD1-CG2 4.03Å; Y448-V464 HydrophobicContact CG-CG2 4.33Å; Y448-I466 HydrophobicContact CD1-CG1 4.2Å; Y448-I466 HydrophobicContact CE1-CB 4.35Å; Y448-I466 HydrophobicContact CE1-CG1 4.03Å; Y448-I466 HydrophobicContact CE1-CG2 4.18Å; Y448-P535 HydrophobicContact CD2-CG 4.35Å; Y448-P535 HydrophobicContact CG-CG 4.08Å; Y448-I560 HydrophobicContact CD1-CG2 3.91Å; Y448-I560 HydrophobicContact CD2-CB 4.47Å; Y448-I560 HydrophobicContact CD2-CG1 4.49Å; Y448-I560 HydrophobicContact CD2-CG2 4.16Å; Y448-I560 HydrophobicContact CE1-CB 4.3Å; Y448-I560 HydrophobicContact CE1-CG2 3.62Å; Y448-I560 HydrophobicContact CE2-CB 3.86Å; Y448-I560 HydrophobicContact CE2-CG1 4.14Å; Y448-I560 HydrophobicContact CE2-CG2 3.89Å; Y448-I560 HydrophobicContact CG-CG2 4.16Å
449	D	94.6	Very high	95	Very high	27 Å²	27	31.6 Å²	31.6	14%	0.144	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	115.4	172.1	-71.7	-1.7	0	0	0	108.3	Y327 V438 D439 K440 A465	Y327-D449 PolarHBondContact OH-OD2 3.13Å; V438-D449 HydrophobicContact CG1-CB 4.05Å; D439-D449 WeakPolarHBondContact O-CA 3.44Å; K440-D449 IonicContact NZ-OD1 2.66Å; K440-D449 PolarHBondContact NZ-OD1 2.7Å; K440-D449 IonicContact NZ-OD2 2.84Å; D449-A465 PolarHBondContact O-N 3.18Å; D449-A465 VanDerWaalsContact O-N 3.08Å
450	V	97.1	Very high	95.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	114.6	177.4	-175.4	0	0	0	0	109.1	V438 D439 V441 F452 K462 V463 V464 P535 Y536	V438-V450 WeakPolarHBondContact CA-O 3.34Å; D439-V450 PolarHBondContact N-O 2.98Å; D439-V450 PolarHBondContact O-N 3.26Å; V441-V450 HydrophobicContact CB-CG2 4.26Å; V441-V450 HydrophobicContact CG2-CB 4.12Å; V441-V450 HydrophobicContact CG2-CG2 3.65Å; V450-F452 HydrophobicContact CG1-CE2 4.04Å; V450-F452 HydrophobicContact CG1-CZ 4.23Å; V450-K462 HydrophobicContact CG1-CG 3.99Å; V450-V463 CarbonylContact C-O 3.51Å; V450-V463 WeakPolarHBondContact CA-O 3.47Å; V450-V464 HydrophobicContact CG2-CG2 4.32Å; V450-P535 HydrophobicContact CG2-CB 4.35Å; V450-P535 HydrophobicContact CG2-CG 3.87Å; V450-Y536 HydrophobicContact CB-CE2 4.22Å; V450-Y536 HydrophobicContact CG1-CE2 4.01Å; V450-Y536 HydrophobicContact CG2-CE2 4.19Å
451	M	98	Very high	95.3	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	129.7	-178.8	-64.8	168.5	-90.5	0	0	110.3	Y327 I423 I424 M436 V438 I453 K462 V463 A465	Y327-M451 HydrophobicContact CD1-SD 4.41Å; Y327-M451 HydrophobicContact CE1-SD 4.13Å; I423-M451 HydrophobicContact CD1-CE 3.89Å; I423-M451 HydrophobicContact CD1-SD 3.53Å; I423-M451 VanDerWaalsContact CD1-SD 3.53Å; I424-M451 HydrophobicContact CD1-CE 3.85Å; I424-M451 HydrophobicContact CD1-SD 3.69Å; M436-M451 HydrophobicContact SD-CB 4.31Å; M436-M451 HydrophobicContact SD-CG 4.26Å; M436-M451 HydrophobicContact SD-SD 4.37Å; V438-M451 HydrophobicContact CB-CG 4.45Å; V438-M451 HydrophobicContact CG1-CG 3.89Å; V438-M451 HydrophobicContact CG2-CG 3.84Å; M451-I453 HydrophobicContact CB-CD1 4.41Å; M451-I453 HydrophobicContact CB-CG1 4.23Å; M451-K462 WeakPolarHBondContact O-CA 3.47Å; M451-V463 HydrophobicContact CB-CB 4.41Å; M451-V463 HydrophobicContact CE-CG1 4.23Å; M451-V463 PolarHBondContact N-O 2.69Å; M451-V463 PolarHBondContact O-N 3.05Å; M451-A465 HydrophobicContact CE-CB 3.73Å
452	F	98.6	Very high	95.5	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	114.6	166.4	-62.8	-91.7	0	0	0	108	M436 V437 V450 V460 L461 K462 M494 L503 M514 L516 Y536	M436-F452 VanDerWaalsContact CA-O 3.29Å; M436-F452 WeakPolarHBondContact CA-O 3.45Å; M436-F452 WeakPolarHBondContact CG-O 3.49Å; V437-F452 HydrophobicContact CG2-CB 3.89Å; V437-F452 HydrophobicContact CG2-CD2 4.35Å; V437-F452 PolarHBondContact N-O 3.45Å; V437-F452 VanDerWaalsContact N-O 3.09Å; V437-F452 PolarHBondContact O-N 3.48Å; V450-F452 HydrophobicContact CG1-CE2 4.04Å; V450-F452 HydrophobicContact CG1-CZ 4.23Å; F452-V460 HydrophobicContact CB-CG1 4.23Å; F452-V460 HydrophobicContact CD1-CG1 4.26Å; F452-L461 CarbonylContact C-O 3.54Å; F452-L461 WeakPolarHBondContact CA-O 3.35Å; F452-K462 HydrophobicContact CD1-CB 4.38Å; F452-K462 HydrophobicContact CD1-CG 4.27Å; F452-K462 HydrophobicContact CE1-CB 4.33Å; F452-K462 HydrophobicContact CE1-CD 3.93Å; F452-K462 HydrophobicContact CE1-CG 3.84Å; F452-K462 HydrophobicContact CZ-CD 4.34Å; F452-K462 HydrophobicContact CZ-CG 4.29Å; F452-M494 HydrophobicContact CB-SD 4.39Å; F452-M494 VanDerWaalsContact O-SD 3.4Å; F452-L503 HydrophobicContact CB-CD1 4.47Å; F452-L503 HydrophobicContact CB-CD2 4Å; F452-L503 HydrophobicContact CD1-CD2 3.98Å; F452-L503 HydrophobicContact CG-CD2 4.12Å; F452-M514 HydrophobicContact CD1-CE 4.42Å; F452-M514 HydrophobicContact CE1-CE 4.42Å; F452-L516 HydrophobicContact CE1-CD2 4.34Å; F452-L516 HydrophobicContact CE2-CD2 3.92Å; F452-L516 HydrophobicContact CZ-CB 3.99Å; F452-L516 HydrophobicContact CZ-CD2 3.79Å; F452-L516 HydrophobicContact CZ-CG 4.43Å; F452-Y536 HydrophobicContact CZ-CE2 4.19Å
453	I	98.7	Very high	95.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	119.2	-172.9	-53.5	171.3	0	0	0	108.8	V342 I424 F433 K435 M436 M451 V460 L461 V463	V342-I453 HydrophobicContact CG2-CD1 4.03Å; I424-I453 HydrophobicContact CD1-CD1 3.63Å; F433-I453 HydrophobicContact CB-CG2 3.89Å; F433-I453 HydrophobicContact CD1-CG2 3.66Å; F433-I453 HydrophobicContact CD2-CG2 3.77Å; F433-I453 HydrophobicContact CE1-CG2 4.06Å; F433-I453 HydrophobicContact CE2-CD1 4.18Å; F433-I453 HydrophobicContact CE2-CG2 4.16Å; F433-I453 HydrophobicContact CG-CG2 3.5Å; F433-I453 VanDerWaalsContact CG-CG2 3.5Å; F433-I453 HydrophobicContact CZ-CD1 4.39Å; F433-I453 HydrophobicContact CZ-CG2 4.28Å; K435-I453 CarbonylContact O-C 3.6Å; M436-I453 HydrophobicContact CB-CG1 4.49Å; M436-I453 HydrophobicContact CG-CG1 3.96Å; M436-I453 HydrophobicContact SD-CD1 4.31Å; M436-I453 HydrophobicContact SD-CG1 3.87Å; M451-I453 HydrophobicContact CB-CD1 4.41Å; M451-I453 HydrophobicContact CB-CG1 4.23Å; I453-V460 CarbonylContact O-C 3.56Å; I453-V460 WeakPolarHBondContact O-CA 3.05Å; I453-L461 HydrophobicContact CB-CB 4.28Å; I453-L461 PolarHBondContact N-O 2.78Å; I453-L461 PolarHBondContact O-N 2.98Å; I453-V463 HydrophobicContact CD1-CG2 4.28Å
454	G	98.5	Very high	95.8	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	154.3	176	0	0	0	0	0	112.4	F433 T434 K435 T459 M494	F433-G454 WeakPolarHBondContact CA-O 3.21Å; T434-G454 PolarHBondContact N-O 3Å; T434-G454 PolarHBondContact OG1-O 3.19Å; K435-G454 PolarHBondContact O-N 3.07Å; G454-T459 WeakPolarHBondContact CA-O 3.45Å; G454-M494 VanDerWaalsContact N-CE 3.3Å
455	T	98.1	Very high	95.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	167	-178.9	72.2	0	0	0	0	113.7	Y431 Q432 F433 M457 G458 T459 I491	Y431-T455 HydrophobicContact CD2-CG2 3.6Å; Y431-T455 HydrophobicContact CE2-CG2 4Å; Y431-T455 HydrophobicContact CG-CG2 4.07Å; Q432-T455 CarbonylContact O-C 3.57Å; Q432-T455 WeakPolarHBondContact O-CA 3.2Å; F433-T455 HydrophobicContact CD1-CG2 4.49Å; T455-M457 PolarHBondContact O-N 2.8Å; T455-M457 PolarHBondContact OG1-N 3.04Å; T455-G458 PolarHBondContact OG1-N 3.12Å; T455-T459 VanDerWaalsContact CG2-OG1 3.26Å; T455-T459 WeakPolarHBondContact CG2-OG1 3.42Å; T455-T459 PolarHBondContact N-O 2.93Å; T455-T459 PolarHBondContact OG1-N 3.24Å; T455-T459 VanDerWaalsContact OG1-N 3.08Å; T455-T459 PolarHBondContact OG1-O 2.82Å; T455-T459 PolarHBondContact OG1-OG1 3.14Å; T455-I491 PolarHBondContact O-N 2.97Å
456	D	96.9	Very high	96	Very high	40 Å²	40	13.4 Å²	13.4	21%	0.214	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-6.2	171.5	67.9	-20.7	0	0	0	113.8	Y431 Q432 T434 V489 A490	Y431-D456 WeakPolarHBondContact CA-OD1 3.31Å; Y431-D456 VanDerWaalsContact CB-OD1 3.25Å; Y431-D456 WeakPolarHBondContact CB-OD1 3.3Å; Q432-D456 PolarHBondContact N-OD1 2.9Å; Q432-D456 PolarHBondContact O-N 3.09Å; T434-D456 HydrophobicContact CG2-CB 3.97Å; D456-V489 CarbonylContact O-C 3.55Å; D456-A490 HydrophobicContact CB-CB 4.25Å; D456-A490 WeakPolarHBondContact O-CA 3.38Å; D456-A490 PolarHBondContact O-N 2.89Å
457	M	96.3	Very high	95.8	Very high	65 Å²	65	12.8 Å²	12.8	32%	0.32	7%	0.068	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	8.6	-179.4	-68.6	-64.5	-72.2	0	0	113.6	T455 P488	T455-M457 PolarHBondContact O-N 2.8Å; T455-M457 PolarHBondContact OG1-N 3.04Å; M457-P488 HydrophobicContact CE-CB 3.46Å; M457-P488 VanDerWaalsContact CE-CB 3.46Å; M457-P488 HydrophobicContact CE-CG 4.4Å; M457-P488 WeakPolarHBondContact O-CA 3.48Å; M457-P488 HydrophobicContact SD-CB 3.91Å
458	G	97.1	Very high	95.2	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.068	C	C	.	.	S	Bend	trans	78.3	26.5	175.7	0	0	0	0	0	113.4	T455 V484 V489	T455-G458 PolarHBondContact OG1-N 3.12Å; G458-V484 WeakPolarHBondContact O-CG2 3.43Å; G458-V484 PolarHBondContact O-N 2.04Å; G458-V489 WeakPolarHBondContact CA-O 3.2Å; G458-V489 PolarHBondContact N-O 3.28Å
459	T	97.6	Very high	94.2	Very high	10 Å²	10	20.6 Å²	20.6	6%	0.061	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	150.8	175	62.2	0	0	0	0	111.5	G454 T455 M482 T483 I491	G454-T459 WeakPolarHBondContact CA-O 3.45Å; T455-T459 VanDerWaalsContact CG2-OG1 3.26Å; T455-T459 WeakPolarHBondContact CG2-OG1 3.42Å; T455-T459 PolarHBondContact N-O 2.93Å; T455-T459 PolarHBondContact OG1-N 3.24Å; T455-T459 VanDerWaalsContact OG1-N 3.08Å; T455-T459 PolarHBondContact OG1-O 2.82Å; T455-T459 PolarHBondContact OG1-OG1 3.14Å; T459-M482 CarbonylContact C-O 3.51Å; T459-M482 WeakPolarHBondContact CA-O 3.24Å; T459-T483 HydrophobicContact CG2-CG2 4.44Å; T459-I491 VanDerWaalsContact O-CD1 3.25Å; T459-I491 WeakPolarHBondContact O-CD1 3.29Å
460	V	98.5	Very high	93.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.8	171.6	176.5	0	0	0	0	108.6	F452 I453 M482 V484 I491 M494 L503 L505 M514	F452-V460 HydrophobicContact CB-CG1 4.23Å; F452-V460 HydrophobicContact CD1-CG1 4.26Å; I453-V460 CarbonylContact O-C 3.56Å; I453-V460 WeakPolarHBondContact O-CA 3.05Å; V460-M482 HydrophobicContact CB-CE 3.91Å; V460-M482 HydrophobicContact CG1-CE 3.74Å; V460-M482 PolarHBondContact N-O 3.46Å; V460-M482 VanDerWaalsContact O-CE 3.22Å; V460-M482 WeakPolarHBondContact O-CE 3.43Å; V460-M482 PolarHBondContact O-N 3.19Å; V460-V484 HydrophobicContact CB-CG1 4.41Å; V460-V484 HydrophobicContact CG2-CG1 3.94Å; V460-V484 HydrophobicContact CG2-CG2 4.05Å; V460-I491 HydrophobicContact CG2-CD1 3.56Å; V460-M494 HydrophobicContact CG2-CE 4.49Å; V460-L503 HydrophobicContact CG1-CD2 4.1Å; V460-L505 HydrophobicContact CG2-CD1 3.74Å; V460-L505 HydrophobicContact CG2-CD2 3.95Å; V460-M514 HydrophobicContact CB-SD 4.48Å; V460-M514 HydrophobicContact CG1-CE 4.44Å; V460-M514 HydrophobicContact CG2-SD 4.45Å
461	L	98	Very high	91.7	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	130.4	171.1	-54.3	-176.8	0	0	0	109.2	Y431 F433 F452 I453 V463 L478 E480 E481	Y431-L461 HydrophobicContact CE2-CD1 4.05Å; F433-L461 HydrophobicContact CD1-CD1 4.43Å; F433-L461 HydrophobicContact CE1-CD1 3.46Å; F433-L461 VanDerWaalsContact CE1-CD1 3.46Å; F433-L461 HydrophobicContact CZ-CD1 3.94Å; F452-L461 CarbonylContact C-O 3.54Å; F452-L461 WeakPolarHBondContact CA-O 3.35Å; I453-L461 HydrophobicContact CB-CB 4.28Å; I453-L461 PolarHBondContact N-O 2.78Å; I453-L461 PolarHBondContact O-N 2.98Å; L461-V463 HydrophobicContact CB-CG2 4.38Å; L461-L478 HydrophobicContact CB-CD1 3.76Å; L461-L478 HydrophobicContact CD1-CD1 4.49Å; L461-L478 HydrophobicContact CD2-CD1 4.18Å; L461-L478 HydrophobicContact CG-CD1 4.37Å; L461-E480 WeakPolarHBondContact CA-O 3.06Å; L461-E481 HydrophobicContact CD2-CB 3.81Å; L461-E481 HydrophobicContact CD2-CG 3.64Å
462	K	98.1	Very high	90.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	114.8	171.6	-175.2	-177.2	176.1	179.1	0	109.3	V450 M451 F452 L479 E480 M482 L516 D534	V450-K462 HydrophobicContact CG1-CG 3.99Å; M451-K462 WeakPolarHBondContact O-CA 3.47Å; F452-K462 HydrophobicContact CD1-CB 4.38Å; F452-K462 HydrophobicContact CD1-CG 4.27Å; F452-K462 HydrophobicContact CE1-CB 4.33Å; F452-K462 HydrophobicContact CE1-CD 3.93Å; F452-K462 HydrophobicContact CE1-CG 3.84Å; F452-K462 HydrophobicContact CZ-CD 4.34Å; F452-K462 HydrophobicContact CZ-CG 4.29Å; K462-L479 HydrophobicContact CD-CD1 4.4Å; K462-L479 HydrophobicContact CG-CD1 4.4Å; K462-L479 WeakPolarHBondContact O-CB 3.26Å; K462-L479 PolarHBondContact O-N 3.1Å; K462-E480 HydrophobicContact CB-CB 4.12Å; K462-E480 HydrophobicContact CD-CG 4.41Å; K462-E480 VanDerWaalsContact CD-OE1 3.23Å; K462-E480 WeakPolarHBondContact CD-OE1 3.02Å; K462-E480 PolarHBondContact N-O 2.92Å; K462-E480 IonicContact NZ-OE1 3.48Å; K462-E480 PolarHBondContact NZ-OE1 3.09Å; K462-E480 VanDerWaalsContact NZ-OE1 3.07Å; K462-E480 PolarHBondContact O-N 2.77Å; K462-M482 HydrophobicContact CB-CE 4.18Å; K462-L516 WeakPolarHBondContact CE-O 3.29Å; K462-L516 PolarHBondContact NZ-O 2.86Å; K462-D534 WeakPolarHBondContact CE-OD2 3.49Å; K462-D534 IonicContact NZ-OD1 3.62Å; K462-D534 PolarHBondContact NZ-OD1 2.72Å; K462-D534 IonicContact NZ-OD2 3.56Å; K462-D534 PolarHBondContact NZ-OD2 2.89Å
463	V	96.9	Very high	89.3	Confident	5 Å²	5	37.9 Å²	37.9	3%	0.03	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	133.5	-174	-174.4	0	0	0	0	109.5	I424 V450 M451 I453 L461 E476 V477 L478	I424-V463 HydrophobicContact CD1-CB 4.16Å; I424-V463 HydrophobicContact CD1-CG1 3.79Å; I424-V463 HydrophobicContact CD1-CG2 4.3Å; I424-V463 HydrophobicContact CG1-CG1 4.44Å; V450-V463 CarbonylContact C-O 3.51Å; V450-V463 WeakPolarHBondContact CA-O 3.47Å; M451-V463 HydrophobicContact CB-CB 4.41Å; M451-V463 HydrophobicContact CE-CG1 4.23Å; M451-V463 PolarHBondContact N-O 2.69Å; M451-V463 PolarHBondContact O-N 3.05Å; I453-V463 HydrophobicContact CD1-CG2 4.28Å; L461-V463 HydrophobicContact CB-CG2 4.38Å; V463-E476 HydrophobicContact CG1-CB 4.02Å; V463-V477 WeakPolarHBondContact CA-O 3.44Å; V463-L478 HydrophobicContact CG2-CB 4.45Å; V463-L478 HydrophobicContact CG2-CD1 3.55Å
464	V	95.3	Very high	88.6	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	137.2	170	61	0	0	0	0	109.9	Y448 V450 I466 V477 L479 P535	Y448-V464 HydrophobicContact CD1-CG2 4.03Å; Y448-V464 HydrophobicContact CG-CG2 4.33Å; V450-V464 HydrophobicContact CG2-CG2 4.32Å; V464-I466 HydrophobicContact CG1-CD1 3.82Å; V464-I466 HydrophobicContact CG1-CG1 3.96Å; V464-I466 HydrophobicContact CG2-CG1 3.94Å; V464-V477 HydrophobicContact CG1-CB 3.78Å; V464-V477 PolarHBondContact N-O 2.77Å; V464-V477 PolarHBondContact O-N 3.04Å; V464-L479 HydrophobicContact CB-CD1 4.32Å; V464-L479 HydrophobicContact CG1-CD1 4.1Å; V464-L479 HydrophobicContact CG1-CD2 3.98Å; V464-L479 HydrophobicContact CG1-CG 4.11Å; V464-P535 HydrophobicContact CG2-CG 3.78Å
465	A	91.7	Very high	88.1	Confident	7 Å²	7	40.5 Å²	40.5	6%	0.058	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	115.2	170.5	0	0	0	0	0	110.1	D449 M451 L474	D449-A465 PolarHBondContact O-N 3.18Å; D449-A465 VanDerWaalsContact O-N 3.08Å; M451-A465 HydrophobicContact CE-CB 3.73Å; A465-L474 HydrophobicContact CB-CD1 4.32Å
466	I	90	Very high	87.8	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	121.5	-173.6	-61.8	178.5	0	0	0	109.8	Y448 V464 R468 L474 E475 V477 I560 R561	Y448-I466 HydrophobicContact CD1-CG1 4.2Å; Y448-I466 HydrophobicContact CE1-CB 4.35Å; Y448-I466 HydrophobicContact CE1-CG1 4.03Å; Y448-I466 HydrophobicContact CE1-CG2 4.18Å; V464-I466 HydrophobicContact CG1-CD1 3.82Å; V464-I466 HydrophobicContact CG1-CG1 3.96Å; V464-I466 HydrophobicContact CG2-CG1 3.94Å; I466-R468 PolarHBondContact O-N 2.9Å; I466-L474 CarbonylContact O-C 3.52Å; I466-E475 HydrophobicContact CB-CB 4.48Å; I466-E475 PolarHBondContact N-O 3.12Å; I466-E475 PolarHBondContact O-N 3.36Å; I466-V477 HydrophobicContact CD1-CB 4.32Å; I466-V477 HydrophobicContact CD1-CG2 3.73Å; I466-V477 HydrophobicContact CG1-CG2 4.42Å; I466-I560 HydrophobicContact CD1-CG2 3.86Å; I466-I560 WeakPolarHBondContact CD1-O 3.47Å; I466-I560 HydrophobicContact CG1-CG2 4.17Å; I466-R561 HydrophobicContact CG2-CG 4.29Å
467	P	85.5	Confident	87.5	Confident	15 Å²	15	41.3 Å²	41.3	10%	0.097	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	122.3	174.5	-20.2	32.1	0	0	0	112	W471 L474	P467-W471 HydrophobicContact CB-CE3 4.41Å; P467-W471 HydrophobicContact CG-CD2 4.08Å; P467-W471 HydrophobicContact CG-CE3 3.49Å; P467-W471 VanDerWaalsContact CG-CE3 3.49Å; P467-W471 HydrophobicContact CG-CH2 4.06Å; P467-W471 HydrophobicContact CG-CZ3 3.49Å; P467-W471 VanDerWaalsContact CG-CZ3 3.49Å; P467-L474 HydrophobicContact CB-CD2 4.4Å; P467-L474 HydrophobicContact CG-CD2 4.06Å
468	R	79.9	Confident	87.4	Confident	114 Å²	114	38.5 Å²	38.5	43%	0.43	18%	0.183	S	C	.	.	S	Bend	trans	-73.5	-70.2	174.6	-69	-175.6	-178.7	-87.7	-8.4	110.8	I466 D473 E475 R561	I466-R468 PolarHBondContact O-N 2.9Å; R468-D473 PolarHBondContact N-O 2.85Å; R468-E475 HydrophobicContact CG-CB 3.86Å; R468-E475 IonicContact CZ-OE1 2.86Å; R468-E475 IonicContact NH1-OE1 3.97Å; R468-E475 VanDerWaalsContact NH2-CD 3.26Å; R468-E475 VanDerWaalsContact NH2-CG 3.3Å; R468-E475 IonicContact NH2-OE1 3.26Å; R468-E475 PolarHBondContact NH2-OE1 3.1Å; R468-R561 PolarHBondContact O-NH2 2.99Å
469	N	73.9	Confident	87.4	Confident	145 Å²	145	38.5 Å²	38.5	78%	0.775	18%	0.183	S	C	*	.	S	Bend	trans	-116.1	-31.4	-177.7	-67.4	-37	0	0	0	112.6
470	S	71.5	Confident	87.3	Confident	50 Å²	50	38 Å²	38	35%	0.35	18%	0.181	S	C	.	.	S	Bend	trans	-144.2	163.6	178.3	77.3	0	0	0	0	109.8	H472 D473	S470-H472 PolarHBondContact O-N 2.98Å; S470-H472 WeakPolarHBondContact OG-CB 3.18Å; S470-H472 PolarHBondContact OG-N 3.23Å; S470-H472 VanDerWaalsContact OG-N 3.14Å; S470-D473 PolarHBondContact O-N 3.4Å; S470-D473 PolarHBondContact OG-N 3.17Å
471	W	66.9	Low	87.2	Confident	182 Å²	182	38.6 Å²	38.6	69%	0.689	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-9.2	171.2	-64.8	100.4	0	0	0	113.8	P467	P467-W471 HydrophobicContact CB-CE3 4.41Å; P467-W471 HydrophobicContact CG-CD2 4.08Å; P467-W471 HydrophobicContact CG-CE3 3.49Å; P467-W471 VanDerWaalsContact CG-CE3 3.49Å; P467-W471 HydrophobicContact CG-CH2 4.06Å; P467-W471 HydrophobicContact CG-CZ3 3.49Å; P467-W471 VanDerWaalsContact CG-CZ3 3.49Å
472	H	66.3	Low	87.2	Confident	116 Å²	116	38.6 Å²	38.6	54%	0.537	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	0.1	175.4	-56.8	89.6	0	0	0	112.5	N419 S470	N419-H472 PolarHBondContact ND2-O 3.47Å; N419-H472 WeakPolarHBondContact OD1-CB 3.25Å; N419-H472 PolarHBondContact OD1-O 2.78Å; S470-H472 PolarHBondContact O-N 2.98Å; S470-H472 WeakPolarHBondContact OG-CB 3.18Å; S470-H472 PolarHBondContact OG-N 3.23Å; S470-H472 VanDerWaalsContact OG-N 3.14Å
473	D	79.3	Confident	87.2	Confident	44 Å²	44	40.3 Å²	40.3	24%	0.235	19%	0.194	C	C	.	.	S	Bend	trans	-130	93.2	174.9	-171.3	36	0	0	0	109.3	K421 R468 S470	K421-D473 IonicContact NZ-OD1 2.88Å; R468-D473 PolarHBondContact N-O 2.85Å; S470-D473 PolarHBondContact O-N 3.4Å; S470-D473 PolarHBondContact OG-N 3.17Å
474	L	84.6	Confident	87.2	Confident	35 Å²	35	40.1 Å²	40.1	18%	0.183	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	133.2	-175.5	-60.2	172.1	0	0	0	109.7	M344 I423 A465 I466 P467	M344-L474 HydrophobicContact SD-CD1 3.94Å; I423-L474 HydrophobicContact CG2-CD1 4.21Å; A465-L474 HydrophobicContact CB-CD1 4.32Å; I466-L474 CarbonylContact O-C 3.52Å; P467-L474 HydrophobicContact CB-CD2 4.4Å; P467-L474 HydrophobicContact CG-CD2 4.06Å
475	E	88.7	Confident	87.3	Confident	19 Å²	19	40.5 Å²	40.5	9%	0.089	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	124.7	162.6	173.9	172.2	-123.6	0	0	108.8	I466 R468 V477 R533	I466-E475 HydrophobicContact CB-CB 4.48Å; I466-E475 PolarHBondContact N-O 3.12Å; I466-E475 PolarHBondContact O-N 3.36Å; R468-E475 HydrophobicContact CG-CB 3.86Å; R468-E475 IonicContact CZ-OE1 2.86Å; R468-E475 IonicContact NH1-OE1 3.97Å; R468-E475 VanDerWaalsContact NH2-CD 3.26Å; R468-E475 VanDerWaalsContact NH2-CG 3.3Å; R468-E475 IonicContact NH2-OE1 3.26Å; R468-E475 PolarHBondContact NH2-OE1 3.1Å; E475-V477 HydrophobicContact CG-CG2 3.81Å; E475-R533 IonicContact OE2-CZ 3.72Å; E475-R533 IonicContact OE2-NH1 2.71Å; E475-R533 IonicContact OE2-NH2 3.5Å; E475-R533 PolarHBondContact OE2-NH2 3.33Å
476	E	89.7	Confident	87.4	Confident	55 Å²	55	48.3 Å²	48.3	26%	0.257	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	133.2	165.7	74.1	-85.4	-156.5	0	0	111.4	I424 V463	I424-E476 HydrophobicContact CG1-CB 3.99Å; I424-E476 HydrophobicContact CG1-CG 4.31Å; V463-E476 HydrophobicContact CG1-CB 4.02Å
477	V	92.3	Very high	87.6	Confident	3 Å²	3	53.6 Å²	53.6	2%	0.018	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	108.8	174.5	-173.1	0	0	0	0	109.2	V463 V464 I466 E475 L479	V463-V477 WeakPolarHBondContact CA-O 3.44Å; V464-V477 HydrophobicContact CG1-CB 3.78Å; V464-V477 PolarHBondContact N-O 2.77Å; V464-V477 PolarHBondContact O-N 3.04Å; I466-V477 HydrophobicContact CD1-CB 4.32Å; I466-V477 HydrophobicContact CD1-CG2 3.73Å; I466-V477 HydrophobicContact CG1-CG2 4.42Å; E475-V477 HydrophobicContact CG-CG2 3.81Å; V477-L479 HydrophobicContact CG1-CD2 3.96Å; V477-L479 PolarHBondContact O-N 3.01Å
478	L	94.5	Very high	88.1	Confident	5 Å²	5	57.1 Å²	57.1	3%	0.026	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	103.1	176.5	-179.7	60.8	0	0	0	111.5	P32 R33 L461 V463 R607	P32-L478 WeakPolarHBondContact CA-O 2.94Å; P32-L478 HydrophobicContact CB-CD2 3.74Å; P32-L478 HydrophobicContact CB-CG 3.78Å; P32-L478 HydrophobicContact CG-CD2 4.18Å; R33-L478 PolarHBondContact N-O 2.91Å; R33-L478 VanDerWaalsContact N-O 3.1Å; L461-L478 HydrophobicContact CB-CD1 3.76Å; L461-L478 HydrophobicContact CD1-CD1 4.49Å; L461-L478 HydrophobicContact CD2-CD1 4.18Å; L461-L478 HydrophobicContact CG-CD1 4.37Å; V463-L478 HydrophobicContact CG2-CB 4.45Å; V463-L478 HydrophobicContact CG2-CD1 3.55Å; L478-R607 PolarHBondContact O-NH2 3.3Å
479	L	95.4	Very high	88.9	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	-53.5	-175.3	-55.8	-178.2	0	0	0	111.4	R33 L34 K462 V464 V477 A532 D534	R33-L479 VanDerWaalsContact CB-O 3.29Å; R33-L479 WeakPolarHBondContact CB-O 3.13Å; R33-L479 PolarHBondContact N-O 2.66Å; L34-L479 PolarHBondContact N-O 3.29Å; K462-L479 HydrophobicContact CD-CD1 4.4Å; K462-L479 HydrophobicContact CG-CD1 4.4Å; K462-L479 WeakPolarHBondContact O-CB 3.26Å; K462-L479 PolarHBondContact O-N 3.1Å; V464-L479 HydrophobicContact CB-CD1 4.32Å; V464-L479 HydrophobicContact CG1-CD1 4.1Å; V464-L479 HydrophobicContact CG1-CD2 3.98Å; V464-L479 HydrophobicContact CG1-CG 4.11Å; V477-L479 HydrophobicContact CG1-CD2 3.96Å; V477-L479 PolarHBondContact O-N 3.01Å; L479-A532 VanDerWaalsContact CD2-O 3.29Å; L479-A532 WeakPolarHBondContact CD2-O 3.41Å; L479-D534 HydrophobicContact CD1-CB 4Å
480	E	96.3	Very high	90	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	142.3	-170.2	-55.1	174.8	-119.4	0	0	111	L34 L461 K462 M482 R518 Y522	L34-E480 HydrophobicContact CB-CG 4.49Å; L34-E480 CarbonylContact O-C 3.57Å; L34-E480 VanDerWaalsContact O-CA 3.32Å; L34-E480 WeakPolarHBondContact O-CA 3.27Å; L461-E480 WeakPolarHBondContact CA-O 3.06Å; K462-E480 HydrophobicContact CB-CB 4.12Å; K462-E480 HydrophobicContact CD-CG 4.41Å; K462-E480 VanDerWaalsContact CD-OE1 3.23Å; K462-E480 WeakPolarHBondContact CD-OE1 3.02Å; K462-E480 PolarHBondContact N-O 2.92Å; K462-E480 IonicContact NZ-OE1 3.48Å; K462-E480 PolarHBondContact NZ-OE1 3.09Å; K462-E480 VanDerWaalsContact NZ-OE1 3.07Å; K462-E480 PolarHBondContact O-N 2.77Å; E480-M482 HydrophobicContact CB-CE 4.3Å; E480-M482 HydrophobicContact CB-CG 4.27Å; E480-M482 HydrophobicContact CB-SD 4.21Å; E480-R518 IonicContact OE1-CZ 3.61Å; E480-R518 IonicContact OE1-NE 2.76Å; E480-R518 IonicContact OE1-NH2 2.75Å; E480-R518 PolarHBondContact OE1-NH2 3.27Å; E480-R518 IonicContact OE2-CZ 3.46Å; E480-R518 IonicContact OE2-NE 3.82Å; E480-R518 PolarHBondContact OE2-NE 2.86Å; E480-R518 IonicContact OE2-NH2 2.74Å; E480-R518 PolarHBondContact OE2-NH2 3.18Å; E480-Y522 HydrophobicContact CG-CE1 4.49Å; E480-Y522 PolarHBondContact OE1-OH 2.82Å; E480-Y522 VanDerWaalsContact OE1-OH 3.06Å
481	E	96.5	Very high	91.3	Very high	13 Å²	13	45.4 Å²	45.4	6%	0.061	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	113.2	165.4	176.3	177.3	135.3	0	0	108.5	P32 L34 K35 L36 L461	P32-E481 HydrophobicContact CB-CB 3.82Å; P32-E481 HydrophobicContact CG-CB 3.88Å; L34-E481 PolarHBondContact O-N 3.3Å; K35-E481 CarbonylContact C-O 3.45Å; K35-E481 WeakPolarHBondContact CA-O 3.27Å; K35-E481 WeakPolarHBondContact CE-OE1 3.39Å; K35-E481 HydrophobicContact CG-CB 4.45Å; K35-E481 IonicContact NZ-OE1 3.04Å; K35-E481 PolarHBondContact NZ-OE1 3.02Å; L36-E481 PolarHBondContact N-O 3.17Å; L461-E481 HydrophobicContact CD2-CB 3.81Å; L461-E481 HydrophobicContact CD2-CG 3.64Å
482	M	97.6	Very high	92.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	128.8	-171.4	-59	150.9	-64.7	0	0	110.8	L36 M41 T459 V460 K462 E480 M514 R518	L36-M482 HydrophobicContact CB-CG 4.32Å; L36-M482 HydrophobicContact CD1-CG 4.11Å; M41-M482 HydrophobicContact CE-CB 4.07Å; M41-M482 HydrophobicContact CE-CG 4.19Å; M41-M482 HydrophobicContact CE-SD 4.35Å; M41-M482 HydrophobicContact SD-CB 4.06Å; M41-M482 HydrophobicContact SD-CG 3.97Å; T459-M482 CarbonylContact C-O 3.51Å; T459-M482 WeakPolarHBondContact CA-O 3.24Å; V460-M482 HydrophobicContact CB-CE 3.91Å; V460-M482 HydrophobicContact CG1-CE 3.74Å; V460-M482 PolarHBondContact N-O 3.46Å; V460-M482 VanDerWaalsContact O-CE 3.22Å; V460-M482 WeakPolarHBondContact O-CE 3.43Å; V460-M482 PolarHBondContact O-N 3.19Å; K462-M482 HydrophobicContact CB-CE 4.18Å; E480-M482 HydrophobicContact CB-CE 4.3Å; E480-M482 HydrophobicContact CB-CG 4.27Å; E480-M482 HydrophobicContact CB-SD 4.21Å; M482-M514 HydrophobicContact CE-CE 3.59Å; M482-M514 HydrophobicContact CE-SD 4.46Å; M482-M514 HydrophobicContact SD-CE 3.53Å; M482-M514 VanDerWaalsContact SD-CE 3.53Å; M482-M514 HydrophobicContact SD-SD 4.39Å; M482-R518 PolarHBondContact SD-NH2 2.82Å
483	T	97.8	Very high	94.3	Very high	37 Å²	37	33.4 Å²	33.4	23%	0.227	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	117.2	172.8	-49.3	0	0	0	0	109.8	L36 Y38 T459 F485	L36-T483 PolarHBondContact O-N 2.8Å; Y38-T483 WeakPolarHBondContact CA-O 3.39Å; T459-T483 HydrophobicContact CG2-CG2 4.44Å; T483-F485 WeakPolarHBondContact CG2-O 3.49Å
484	V	97.7	Very high	95.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.166	C	C	.	.			trans	-108.3	-7.8	-169.9	-65.9	0	0	0	0	113.9	L47 G458 V460 I491 L505 S512 M514	L47-V484 HydrophobicContact CD1-CB 4.1Å; L47-V484 HydrophobicContact CD1-CG1 4.11Å; G458-V484 WeakPolarHBondContact O-CG2 3.43Å; G458-V484 PolarHBondContact O-N 2.04Å; V460-V484 HydrophobicContact CB-CG1 4.41Å; V460-V484 HydrophobicContact CG2-CG1 3.94Å; V460-V484 HydrophobicContact CG2-CG2 4.05Å; V484-I491 HydrophobicContact CG2-CD1 3.7Å; V484-I491 HydrophobicContact CG2-CG1 4.49Å; V484-L505 HydrophobicContact CB-CD1 3.89Å; V484-L505 HydrophobicContact CG1-CD1 3.77Å; V484-L505 HydrophobicContact CG2-CD1 3.87Å; V484-S512 PolarHBondContact O-OG 3.03Å; V484-M514 HydrophobicContact CG1-SD 3.74Å
485	F	96.8	Very high	95.8	Very high	8 Å²	8	33.6 Å²	33.6	4%	0.035	17%	0.172	C	C	.	.	S	Bend	trans	-127.2	147.9	175	-70.6	-69.7	0	0	0	110.2	Y38 T483 E487 V489 I491 L505 S507 I509 S512	Y38-F485 VanDerWaalsContact CD2-C 3.44Å; T483-F485 WeakPolarHBondContact CG2-O 3.49Å; F485-E487 VanDerWaalsContact C-N 3.29Å; F485-E487 PolarHBondContact O-N 2.85Å; F485-V489 HydrophobicContact CB-CG2 3.88Å; F485-V489 HydrophobicContact CD2-CG2 4.2Å; F485-V489 HydrophobicContact CG-CG2 3.95Å; F485-I491 HydrophobicContact CD2-CG1 4.32Å; F485-I491 HydrophobicContact CE2-CG1 4.07Å; F485-L505 HydrophobicContact CE2-CB 4.36Å; F485-L505 HydrophobicContact CZ-CB 4.31Å; F485-S507 VanDerWaalsContact CE1-OG 3.23Å; F485-S507 WeakPolarHBondContact CE1-OG 3.33Å; F485-S507 WeakPolarHBondContact CZ-OG 3.24Å; F485-I509 HydrophobicContact CB-CD1 4.31Å; F485-I509 HydrophobicContact CD1-CD1 4.26Å; F485-I509 HydrophobicContact CD1-CG1 4.13Å; F485-S512 VanDerWaalsContact CE1-OG 3.24Å; F485-S512 WeakPolarHBondContact CE1-OG 3.24Å
486	R	94.5	Very high	96.2	Very high	171 Å²	171	33.8 Å²	33.8	65%	0.645	17%	0.174	S	C	*	.	S	Bend	trans	-65.7	-33.1	-178.1	-175.4	179	176.9	172.8	-1.2	113.1	Y38 E51	Y38-R486 HydrophobicContact CD1-CB 4.14Å; Y38-R486 HydrophobicContact CD1-CG 4.3Å; Y38-R486 HydrophobicContact CE1-CB 3.67Å; Y38-R486 HydrophobicContact CE1-CG 3.97Å; Y38-R486 HydrophobicContact CE2-CB 4.36Å; E51-R486 IonicContact OE1-NH1 2.86Å
487	E	94.6	Very high	96.5	Very high	113 Å²	113	31.1 Å²	31.1	53%	0.528	16%	0.161	S	C	.	.	S	Bend	trans	-113.5	151.9	-179.5	-65.7	179.4	-158.3	0	0	109.4	F485 V489 I509	F485-E487 VanDerWaalsContact C-N 3.29Å; F485-E487 PolarHBondContact O-N 2.85Å; E487-V489 VanDerWaalsContact C-N 3.31Å; E487-V489 HydrophobicContact CB-CG1 4.11Å; E487-V489 PolarHBondContact O-N 2.89Å; E487-I509 HydrophobicContact CB-CD1 4.22Å
488	P	95.8	Very high	96.6	Very high	90 Å²	90	34.3 Å²	34.3	58%	0.584	18%	0.181	S	C	*	.			trans	-71.5	87.6	177.5	30.1	-34.3	0	0	0	110.1	M457	M457-P488 HydrophobicContact CE-CB 3.46Å; M457-P488 VanDerWaalsContact CE-CB 3.46Å; M457-P488 HydrophobicContact CE-CG 4.4Å; M457-P488 WeakPolarHBondContact O-CA 3.48Å; M457-P488 HydrophobicContact SD-CB 3.91Å
489	V	96.6	Very high	96.5	Very high	25 Å²	25	40.6 Å²	40.6	15%	0.152	21%	0.208	C	C	.	.			trans	-126.3	143.9	-178.2	-62.1	0	0	0	0	110.8	D456 G458 F485 E487 I491 I509	D456-V489 CarbonylContact O-C 3.55Å; G458-V489 WeakPolarHBondContact CA-O 3.2Å; G458-V489 PolarHBondContact N-O 3.28Å; F485-V489 HydrophobicContact CB-CG2 3.88Å; F485-V489 HydrophobicContact CD2-CG2 4.2Å; F485-V489 HydrophobicContact CG-CG2 3.95Å; E487-V489 VanDerWaalsContact C-N 3.31Å; E487-V489 HydrophobicContact CB-CG1 4.11Å; E487-V489 PolarHBondContact O-N 2.89Å; V489-I491 PolarHBondContact O-N 2.95Å; V489-I509 HydrophobicContact CG1-CD1 4.31Å; V489-I509 HydrophobicContact CG1-CG2 4.05Å; V489-I509 HydrophobicContact CG2-CD1 3.77Å; V489-I509 HydrophobicContact CG2-CG1 3.95Å
490	A	97.6	Very high	96.4	Very high	37 Å²	37	43.1 Å²	43.1	31%	0.306	22%	0.22	S	C	.	.			trans	-63.9	135.7	-176.7	0	0	0	0	0	112.6	D456 T492 S507	D456-A490 HydrophobicContact CB-CB 4.25Å; D456-A490 WeakPolarHBondContact O-CA 3.38Å; D456-A490 PolarHBondContact O-N 2.89Å; A490-T492 HydrophobicContact CB-CG2 4.29Å; A490-T492 PolarHBondContact O-N 3.21Å; A490-S507 WeakPolarHBondContact O-CB 3.32Å
491	I	98.6	Very high	96.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.227	C	C	.	.			trans	-75.7	116.8	165.6	-54.5	-172.8	0	0	0	107.2	T434 T455 T459 V460 V484 F485 V489 M494 L505	T434-I491 WeakPolarHBondContact CB-O 3.24Å; T434-I491 PolarHBondContact OG1-O 3.06Å; T455-I491 PolarHBondContact O-N 2.97Å; T459-I491 VanDerWaalsContact O-CD1 3.25Å; T459-I491 WeakPolarHBondContact O-CD1 3.29Å; V460-I491 HydrophobicContact CG2-CD1 3.56Å; V484-I491 HydrophobicContact CG2-CD1 3.7Å; V484-I491 HydrophobicContact CG2-CG1 4.49Å; F485-I491 HydrophobicContact CD2-CG1 4.32Å; F485-I491 HydrophobicContact CE2-CG1 4.07Å; V489-I491 PolarHBondContact O-N 2.95Å; I491-M494 HydrophobicContact CG2-CE 4.07Å; I491-L505 HydrophobicContact CD1-CD2 4.41Å; I491-L505 HydrophobicContact CG2-CD2 4.04Å
492	T	97	Very high	96.4	Very high	39 Å²	39	46 Å²	46	24%	0.239	23%	0.233	C	C	.	.			trans	-114.2	-15.4	-171.3	51.6	0	0	0	0	112.8	H60 K435 A490 G506	H60-T492 PolarHBondContact CD2-OG1 3.03Å; H60-T492 PolarHBondContact NE2-OG1 3.24Å; K435-T492 WeakPolarHBondContact CE-O 3.44Å; A490-T492 HydrophobicContact CB-CG2 4.29Å; A490-T492 PolarHBondContact O-N 3.21Å; T492-G506 PolarHBondContact N-O 3.36Å; T492-G506 PolarHBondContact OG1-O 2.85Å; T492-G506 VanDerWaalsContact OG1-O 3.1Å
493	A	97.7	Very high	96.4	Very high	7 Å²	7	46 Å²	46	6%	0.058	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	144.2	173.2	0	0	0	0	0	109.7	H60 L62 G506	H60-A493 WeakPolarHBondContact O-CB 3.48Å; L62-A493 HydrophobicContact CB-CB 4.45Å; L62-A493 HydrophobicContact CD1-CB 3.45Å; L62-A493 VanDerWaalsContact CD1-CB 3.45Å; L62-A493 HydrophobicContact CG-CB 3.7Å; A493-G506 PolarHBondContact N-O 3.5Å; A493-G506 PolarHBondContact O-N 3.22Å
494	M	98.1	Very high	96.5	Very high	14 Å²	14	44.2 Å²	44.2	7%	0.069	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	128.7	-179.1	-174	176.1	-63.8	0	0	109	K435 V437 F452 G454 V460 I491 L503 Y504 L505	K435-M494 HydrophobicContact CB-CB 3.88Å; K435-M494 HydrophobicContact CB-CE 4.12Å; V437-M494 HydrophobicContact CB-SD 4.39Å; V437-M494 HydrophobicContact CG1-CB 4.36Å; V437-M494 HydrophobicContact CG1-CG 3.83Å; V437-M494 HydrophobicContact CG1-SD 4.17Å; V437-M494 HydrophobicContact CG2-CG 4.02Å; V437-M494 HydrophobicContact CG2-SD 3.72Å; F452-M494 HydrophobicContact CB-SD 4.39Å; F452-M494 VanDerWaalsContact O-SD 3.4Å; G454-M494 VanDerWaalsContact N-CE 3.3Å; V460-M494 HydrophobicContact CG2-CE 4.49Å; I491-M494 HydrophobicContact CG2-CE 4.07Å; M494-L503 HydrophobicContact CG-CD1 3.78Å; M494-L503 HydrophobicContact CG-CG 4.47Å; M494-L503 HydrophobicContact SD-CD1 4.21Å; M494-Y504 CarbonylContact C-O 3.56Å; M494-Y504 WeakPolarHBondContact CA-O 3.42Å; M494-L505 HydrophobicContact CB-CD2 4.32Å; M494-L505 HydrophobicContact CE-CD2 3.57Å; M494-L505 HydrophobicContact CG-CD2 3.81Å; M494-L505 HydrophobicContact SD-CD2 4.31Å
495	E	97.7	Very high	96.5	Very high	69 Å²	69	44.2 Å²	44.2	32%	0.322	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	138.3	177.5	-75.1	-64.8	168	0	0	110.6	L62 Y504	L62-E495 HydrophobicContact CB-CG 3.59Å; L62-E495 HydrophobicContact CD1-CB 4.37Å; L62-E495 HydrophobicContact CD1-CG 4.09Å; L62-E495 HydrophobicContact CG-CG 4.5Å; E495-Y504 PolarHBondContact N-O 2.91Å; E495-Y504 PolarHBondContact O-N 2.98Å
496	L	97.2	Very high	96.6	Very high	23 Å²	23	43.8 Å²	43.8	12%	0.12	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124.9	-176.3	175.4	64.4	0	0	0	110.2	V437 D439 T498 L503 L516	V437-L496 HydrophobicContact CB-CB 3.95Å; V437-L496 HydrophobicContact CB-CD2 4.39Å; V437-L496 HydrophobicContact CG1-CB 4.25Å; V437-L496 HydrophobicContact CG2-CB 3.85Å; V437-L496 HydrophobicContact CG2-CD2 4.36Å; D439-L496 HydrophobicContact CB-CD2 3.83Å; L496-T498 HydrophobicContact CD2-CG2 4.07Å; L496-T498 HydrophobicContact CG-CG2 4.16Å; L496-L503 HydrophobicContact CD1-CD1 4.48Å; L496-L516 HydrophobicContact CD1-CD1 3.58Å; L496-L516 HydrophobicContact CD1-CD2 3.35Å; L496-L516 HydrophobicContact CD1-CG 4.09Å
497	S	96.7	Very high	96.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	104.1	165.7	178.3	0	0	0	0	109.7	E66 K499 Q500 Q501 Q502	E66-S497 WeakPolarHBondContact OE1-CB 3.16Å; E66-S497 PolarHBondContact OE1-OG 2.91Å; S497-K499 VanDerWaalsContact C-N 3.28Å; S497-Q500 WeakPolarHBondContact OG-CB 3.25Å; S497-Q500 WeakPolarHBondContact OG-CG 3.5Å; S497-Q500 PolarHBondContact OG-N 3.18Å; S497-Q501 WeakPolarHBondContact O-CA 3.44Å; S497-Q501 PolarHBondContact O-N 3.36Å; S497-Q502 PolarHBondContact N-O 2.68Å; S497-Q502 PolarHBondContact O-N 3.44Å; S497-Q502 VanDerWaalsContact O-N 3.11Å
498	T	93.8	Very high	96.8	Very high	69 Å²	69	34.3 Å²	34.3	42%	0.423	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-30.2	172	58.5	0	0	0	0	111	D439 L496 Q501	D439-T498 WeakPolarHBondContact OD1-CG2 3.2Å; L496-T498 HydrophobicContact CD2-CG2 4.07Å; L496-T498 HydrophobicContact CG-CG2 4.16Å; T498-Q501 WeakPolarHBondContact O-CG 3.34Å; T498-Q501 PolarHBondContact O-NE2 3.28Å
499	K	93.2	Very high	96.8	Very high	137 Å²	137	32.8 Å²	32.8	60%	0.596	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-45	176.6	-173.9	-179.6	177.9	-175.5	0	112.3	E66 S497	E66-K499 WeakPolarHBondContact OE1-CB 3.45Å; S497-K499 VanDerWaalsContact C-N 3.28Å
500	Q	93.9	Very high	96.8	Very high	53 Å²	53	31.7 Å²	31.7	25%	0.248	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-11.7	179.2	-57.6	-59.7	-19.1	0	0	113	L84 S497 Q502	L84-Q500 HydrophobicContact CD2-CG 3.67Å; L84-Q500 HydrophobicContact CG-CG 3.99Å; S497-Q500 WeakPolarHBondContact OG-CB 3.25Å; S497-Q500 WeakPolarHBondContact OG-CG 3.5Å; S497-Q500 PolarHBondContact OG-N 3.18Å; Q500-Q502 VanDerWaalsContact C-N 3.32Å; Q500-Q502 HydrophobicContact CB-CB 4.37Å; Q500-Q502 HydrophobicContact CB-CG 4.01Å; Q500-Q502 WeakPolarHBondContact O-CG 3.4Å
501	Q	94.8	Very high	96.8	Very high	34 Å²	34	29.9 Å²	29.9	16%	0.159	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	45.1	-174.9	-63.6	-74.7	-51	0	0	111.8	S497 T498 L516 R546	S497-Q501 WeakPolarHBondContact O-CA 3.44Å; S497-Q501 PolarHBondContact O-N 3.36Å; T498-Q501 WeakPolarHBondContact O-CG 3.34Å; T498-Q501 PolarHBondContact O-NE2 3.28Å; Q501-L516 PolarHBondContact O-N 2.75Å; Q501-R546 VanDerWaalsContact CG-NH1 3.27Å; Q501-R546 VanDerWaalsContact OE1-CZ 3.25Å
502	Q	97.1	Very high	96.8	Very high	39 Å²	39	29.9 Å²	29.9	18%	0.182	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	148.7	-176.9	-61.3	-63.1	-45.4	0	0	111.5	S497 Q500 Y504 Q513 M514	S497-Q502 PolarHBondContact N-O 2.68Å; S497-Q502 PolarHBondContact O-N 3.44Å; S497-Q502 VanDerWaalsContact O-N 3.11Å; Q500-Q502 VanDerWaalsContact C-N 3.32Å; Q500-Q502 HydrophobicContact CB-CB 4.37Å; Q500-Q502 HydrophobicContact CB-CG 4.01Å; Q500-Q502 WeakPolarHBondContact O-CG 3.4Å; Q502-Y504 HydrophobicContact CB-CE1 4.33Å; Q502-Y504 HydrophobicContact CB-CE2 3.83Å; Q502-Y504 VanDerWaalsContact CB-OH 3.31Å; Q502-Y504 WeakPolarHBondContact CB-OH 3.29Å; Q502-Q513 VanDerWaalsContact OE1-NE2 3.1Å; Q502-M514 PolarHBondContact OE1-O 3.19Å
503	L	98.4	Very high	96.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	133.3	170.4	-174.3	69.5	0	0	0	109.1	V437 F452 V460 M494 L496 L505 Q513 M514 L516	V437-L503 HydrophobicContact CG2-CD1 3.48Å; V437-L503 VanDerWaalsContact CG2-CD1 3.48Å; F452-L503 HydrophobicContact CB-CD1 4.47Å; F452-L503 HydrophobicContact CB-CD2 4Å; F452-L503 HydrophobicContact CD1-CD2 3.98Å; F452-L503 HydrophobicContact CG-CD2 4.12Å; V460-L503 HydrophobicContact CG1-CD2 4.1Å; M494-L503 HydrophobicContact CG-CD1 3.78Å; M494-L503 HydrophobicContact CG-CG 4.47Å; M494-L503 HydrophobicContact SD-CD1 4.21Å; L496-L503 HydrophobicContact CD1-CD1 4.48Å; L503-L505 HydrophobicContact CD2-CD1 4.3Å; L503-L505 HydrophobicContact CD2-CD2 3.97Å; L503-L505 HydrophobicContact CD2-CG 4.35Å; L503-L505 HydrophobicContact CG-CD2 4.06Å; L503-L505 HydrophobicContact CG-CG 4.24Å; L503-Q513 WeakPolarHBondContact O-CA 3.26Å; L503-M514 HydrophobicContact CB-CG 3.92Å; L503-M514 HydrophobicContact CD2-CE 4.01Å; L503-M514 HydrophobicContact CD2-CG 4.19Å; L503-M514 HydrophobicContact CD2-SD 3.98Å; L503-M514 HydrophobicContact CG-CG 4.49Å; L503-M514 PolarHBondContact N-O 3.16Å; L503-M514 PolarHBondContact O-N 3.43Å; L503-L516 HydrophobicContact CB-CD2 3.9Å
504	Y	98.6	Very high	96.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	135.5	178.2	-52	-85.6	0	0	0	110.3	L64 L71 L84 I87 M494 E495 Q502 S512 Q513	L64-Y504 HydrophobicContact CD1-CD2 4.44Å; L64-Y504 HydrophobicContact CD1-CE2 4.14Å; L71-Y504 HydrophobicContact CD1-CG 4.39Å; L71-Y504 HydrophobicContact CD2-CD1 3.66Å; L71-Y504 HydrophobicContact CD2-CE1 4.45Å; L71-Y504 HydrophobicContact CD2-CG 3.85Å; L84-Y504 HydrophobicContact CD1-CD2 4.44Å; L84-Y504 HydrophobicContact CD1-CE1 3.93Å; L84-Y504 HydrophobicContact CD1-CE2 3.59Å; L84-Y504 WeakPolarHBondContact CD1-OH 2.98Å; L84-Y504 HydrophobicContact CG-CE2 4.48Å; L84-Y504 VanDerWaalsContact CG-OH 3.29Å; L84-Y504 WeakPolarHBondContact CG-OH 3.48Å; L84-Y504 PolarHBondContact O-OH 2.88Å; I87-Y504 HydrophobicContact CG2-CD1 4.17Å; I87-Y504 HydrophobicContact CG2-CE1 4.17Å; M494-Y504 CarbonylContact C-O 3.56Å; M494-Y504 WeakPolarHBondContact CA-O 3.42Å; E495-Y504 PolarHBondContact N-O 2.91Å; E495-Y504 PolarHBondContact O-N 2.98Å; Q502-Y504 HydrophobicContact CB-CE1 4.33Å; Q502-Y504 HydrophobicContact CB-CE2 3.83Å; Q502-Y504 VanDerWaalsContact CB-OH 3.31Å; Q502-Y504 WeakPolarHBondContact CB-OH 3.29Å; Y504-S512 WeakPolarHBondContact CA-O 3.4Å; Y504-Q513 HydrophobicContact CD1-CB 4.06Å; Y504-Q513 HydrophobicContact CD1-CG 4Å; Y504-Q513 HydrophobicContact CE1-CB 4.24Å; Y504-Q513 HydrophobicContact CE1-CG 3.72Å
505	L	98.6	Very high	96.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	130.1	-166.4	-58.9	162.4	0	0	0	109.4	V460 V484 F485 I491 M494 L503 V511 S512 M514	V460-L505 HydrophobicContact CG2-CD1 3.74Å; V460-L505 HydrophobicContact CG2-CD2 3.95Å; V484-L505 HydrophobicContact CB-CD1 3.89Å; V484-L505 HydrophobicContact CG1-CD1 3.77Å; V484-L505 HydrophobicContact CG2-CD1 3.87Å; F485-L505 HydrophobicContact CE2-CB 4.36Å; F485-L505 HydrophobicContact CZ-CB 4.31Å; I491-L505 HydrophobicContact CD1-CD2 4.41Å; I491-L505 HydrophobicContact CG2-CD2 4.04Å; M494-L505 HydrophobicContact CB-CD2 4.32Å; M494-L505 HydrophobicContact CE-CD2 3.57Å; M494-L505 HydrophobicContact CG-CD2 3.81Å; M494-L505 HydrophobicContact SD-CD2 4.31Å; L503-L505 HydrophobicContact CD2-CD1 4.3Å; L503-L505 HydrophobicContact CD2-CD2 3.97Å; L503-L505 HydrophobicContact CD2-CG 4.35Å; L503-L505 HydrophobicContact CG-CD2 4.06Å; L503-L505 HydrophobicContact CG-CG 4.24Å; L505-V511 CarbonylContact O-C 3.29Å; L505-V511 VanDerWaalsContact O-CA 3.24Å; L505-V511 WeakPolarHBondContact O-CA 3.35Å; L505-V511 WeakPolarHBondContact O-CG1 3.34Å; L505-S512 PolarHBondContact N-O 2.93Å; L505-S512 PolarHBondContact O-N 2.9Å; L505-M514 HydrophobicContact CD1-CG 4.18Å; L505-M514 HydrophobicContact CD1-SD 3.95Å
506	G	98.2	Very high	96.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	141.7	177.9	0	0	0	0	0	112.5	Y59 T492 A493	Y59-G506 VanDerWaalsContact O-CA 3.3Å; Y59-G506 WeakPolarHBondContact O-CA 3.43Å; T492-G506 PolarHBondContact N-O 3.36Å; T492-G506 PolarHBondContact OG1-O 2.85Å; T492-G506 VanDerWaalsContact OG1-O 3.1Å; A493-G506 PolarHBondContact N-O 3.5Å; A493-G506 PolarHBondContact O-N 3.22Å
507	S	97.8	Very high	96.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.13	C	C	.	.			trans	-141.4	-176.6	173.2	74.4	0	0	0	0	111.7	Y59 F485 A490 I509 G510	Y59-S507 WeakPolarHBondContact CB-O 3.4Å; Y59-S507 WeakPolarHBondContact CD2-O 3.5Å; Y59-S507 PolarHBondContact N-O 3.43Å; F485-S507 VanDerWaalsContact CE1-OG 3.23Å; F485-S507 WeakPolarHBondContact CE1-OG 3.33Å; F485-S507 WeakPolarHBondContact CZ-OG 3.24Å; A490-S507 WeakPolarHBondContact O-CB 3.32Å; S507-I509 PolarHBondContact O-N 3.31Å; S507-I509 WeakPolarHBondContact OG-CG1 3.27Å; S507-I509 PolarHBondContact OG-N 3.16Å; S507-G510 PolarHBondContact N-O 3.39Å
508	D	95.6	Very high	96.5	Very high	85 Å²	85	25.9 Å²	25.9	46%	0.455	13%	0.13	S	C	.	.	S	Bend	trans	-63.9	-25.8	175.2	-93.7	-36.1	0	0	0	113	S57 G58 H60	S57-D508 VanDerWaalsContact CA-O 3.25Å; S57-D508 WeakPolarHBondContact CA-O 3.41Å; S57-D508 WeakPolarHBondContact CB-O 3.42Å; G58-D508 WeakPolarHBondContact CA-OD1 3.29Å; G58-D508 PolarHBondContact N-O 3.01Å; G58-D508 VanDerWaalsContact N-O 3.17Å; H60-D508 IonicContact CE1-OD1 3.61Å; H60-D508 PolarHBondContact CE1-OD1 2.62Å; H60-D508 IonicContact NE2-OD1 3.98Å; H60-D508 PolarHBondContact NE2-OD1 3.1Å; H60-D508 VanDerWaalsContact NE2-OD1 3.1Å
509	I	96.2	Very high	96.5	Very high	57 Å²	57	22.6 Å²	22.6	29%	0.292	11%	0.11	S	C	.	.	S	Bend	trans	-103.5	-11.8	-171.9	72.5	179	0	0	0	114.1	G52 F485 E487 V489 S507	G52-I509 WeakPolarHBondContact CA-O 3.21Å; G52-I509 PolarHBondContact N-O 2.94Å; F485-I509 HydrophobicContact CB-CD1 4.31Å; F485-I509 HydrophobicContact CD1-CD1 4.26Å; F485-I509 HydrophobicContact CD1-CG1 4.13Å; E487-I509 HydrophobicContact CB-CD1 4.22Å; V489-I509 HydrophobicContact CG1-CD1 4.31Å; V489-I509 HydrophobicContact CG1-CG2 4.05Å; V489-I509 HydrophobicContact CG2-CD1 3.77Å; V489-I509 HydrophobicContact CG2-CG1 3.95Å; S507-I509 PolarHBondContact O-N 3.31Å; S507-I509 WeakPolarHBondContact OG-CG1 3.27Å; S507-I509 PolarHBondContact OG-N 3.16Å
510	G	96.6	Very high	96.3	Very high	2 Å²	2	21 Å²	21	2%	0.021	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.8	-163.7	-178.2	0	0	0	0	0	115.2	F50 S507	F50-G510 VanDerWaalsContact O-CA 3.25Å; F50-G510 WeakPolarHBondContact O-CA 3.31Å; S507-G510 PolarHBondContact N-O 3.39Å
511	V	98.1	Very high	96.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	136.5	179	-178	0	0	0	0	109.4	F50 Y59 L71 V73 F82 I87 L505	F50-V511 HydrophobicContact CB-CB 4.46Å; F50-V511 PolarHBondContact N-O 3.27Å; F50-V511 PolarHBondContact O-N 2.88Å; F50-V511 VanDerWaalsContact O-N 3.08Å; Y59-V511 HydrophobicContact CD1-CG2 3.97Å; Y59-V511 HydrophobicContact CG-CG2 4.15Å; L71-V511 HydrophobicContact CD2-CG1 4.3Å; V73-V511 HydrophobicContact CG1-CG2 4.08Å; V73-V511 HydrophobicContact CG2-CG2 4.31Å; F82-V511 HydrophobicContact CE2-CG2 4.35Å; I87-V511 HydrophobicContact CD1-CB 4.43Å; I87-V511 HydrophobicContact CD1-CG1 4.07Å; L505-V511 CarbonylContact O-C 3.29Å; L505-V511 VanDerWaalsContact O-CA 3.24Å; L505-V511 WeakPolarHBondContact O-CA 3.35Å; L505-V511 WeakPolarHBondContact O-CG1 3.34Å
512	S	97.9	Very high	95.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	146.2	175.1	-63.3	0	0	0	0	110.7	V48 T49 V484 F485 Y504 L505	V48-S512 CarbonylContact O-C 3.2Å; V48-S512 WeakPolarHBondContact O-CA 3.45Å; T49-S512 WeakPolarHBondContact CG2-OG 3.37Å; V484-S512 PolarHBondContact O-OG 3.03Å; F485-S512 VanDerWaalsContact CE1-OG 3.24Å; F485-S512 WeakPolarHBondContact CE1-OG 3.24Å; Y504-S512 WeakPolarHBondContact CA-O 3.4Å; L505-S512 PolarHBondContact N-O 2.93Å; L505-S512 PolarHBondContact O-N 2.9Å
513	Q	98.1	Very high	95.2	Very high	6 Å²	6	16.6 Å²	16.6	3%	0.028	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	133.1	176	172.3	-170.7	0.6	0	0	108.5	L47 V48 L85 I87 Q502 L503 Y504	L47-Q513 WeakPolarHBondContact CA-O 3.49Å; V48-Q513 HydrophobicContact CB-CB 4.29Å; V48-Q513 PolarHBondContact N-O 2.94Å; V48-Q513 PolarHBondContact O-N 3.05Å; L85-Q513 PolarHBondContact O-NE2 2.92Å; I87-Q513 HydrophobicContact CD1-CB 3.83Å; I87-Q513 HydrophobicContact CG1-CB 3.99Å; I87-Q513 HydrophobicContact CG2-CB 4.21Å; Q502-Q513 VanDerWaalsContact OE1-NE2 3.1Å; L503-Q513 WeakPolarHBondContact O-CA 3.26Å; Y504-Q513 HydrophobicContact CD1-CB 4.06Å; Y504-Q513 HydrophobicContact CD1-CG 4Å; Y504-Q513 HydrophobicContact CE1-CB 4.24Å; Y504-Q513 HydrophobicContact CE1-CG 3.72Å
514	M	97.3	Very high	94.4	Very high	1 Å²	1	25 Å²	25	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	149.6	176	58.2	174.5	-95.4	0	0	111.4	N46 L47 F452 V460 M482 V484 Q502 L503 L505	N46-M514 WeakPolarHBondContact O-CB 3.16Å; L47-M514 HydrophobicContact CD1-CB 4.18Å; F452-M514 HydrophobicContact CD1-CE 4.42Å; F452-M514 HydrophobicContact CE1-CE 4.42Å; V460-M514 HydrophobicContact CB-SD 4.48Å; V460-M514 HydrophobicContact CG1-CE 4.44Å; V460-M514 HydrophobicContact CG2-SD 4.45Å; M482-M514 HydrophobicContact CE-CE 3.59Å; M482-M514 HydrophobicContact CE-SD 4.46Å; M482-M514 HydrophobicContact SD-CE 3.53Å; M482-M514 VanDerWaalsContact SD-CE 3.53Å; M482-M514 HydrophobicContact SD-SD 4.39Å; V484-M514 HydrophobicContact CG1-SD 3.74Å; Q502-M514 PolarHBondContact OE1-O 3.19Å; L503-M514 HydrophobicContact CB-CG 3.92Å; L503-M514 HydrophobicContact CD2-CE 4.01Å; L503-M514 HydrophobicContact CD2-CG 4.19Å; L503-M514 HydrophobicContact CD2-SD 3.98Å; L503-M514 HydrophobicContact CG-CG 4.49Å; L503-M514 PolarHBondContact N-O 3.16Å; L503-M514 PolarHBondContact O-N 3.43Å; L505-M514 HydrophobicContact CD1-CG 4.18Å; L505-M514 HydrophobicContact CD1-SD 3.95Å
515	P	96.8	Very high	93.8	Very high	21 Å²	21	26.5 Å²	26.5	14%	0.136	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	160	175.2	29.6	-33.8	0	0	0	111.7	N46 R518	N46-P515 VanDerWaalsContact O-CD 3.27Å; N46-P515 WeakPolarHBondContact O-CD 3.22Å; P515-R518 HydrophobicContact CG-CG 4.13Å; P515-R518 PolarHBondContact O-NH1 3.39Å
516	L	96.8	Very high	93.3	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	-76.8	-24.3	176.7	-57.1	-179.1	0	0	0	113.2	F452 K462 L496 Q501 L503 Y536	F452-L516 HydrophobicContact CE1-CD2 4.34Å; F452-L516 HydrophobicContact CE2-CD2 3.92Å; F452-L516 HydrophobicContact CZ-CB 3.99Å; F452-L516 HydrophobicContact CZ-CD2 3.79Å; F452-L516 HydrophobicContact CZ-CG 4.43Å; K462-L516 WeakPolarHBondContact CE-O 3.29Å; K462-L516 PolarHBondContact NZ-O 2.86Å; L496-L516 HydrophobicContact CD1-CD1 3.58Å; L496-L516 HydrophobicContact CD1-CD2 3.35Å; L496-L516 HydrophobicContact CD1-CG 4.09Å; Q501-L516 PolarHBondContact O-N 2.75Å; L503-L516 HydrophobicContact CB-CD2 3.9Å; L516-Y536 HydrophobicContact CB-CE1 4.23Å; L516-Y536 HydrophobicContact CB-CE2 4.31Å; L516-Y536 HydrophobicContact CD1-CE1 4.49Å
517	H	94.6	Very high	92.9	Very high	39 Å²	39	27.3 Å²	27.3	18%	0.181	14%	0.142	C	C	.	.			trans	-133.1	151.8	-178.2	67.6	86.4	0	0	0	111.1	Y536 R546	H517-Y536 VanDerWaalsContact CB-CB 3.46Å; H517-Y536 HydrophobicContact CB-CD1 4.49Å; H517-Y536 HydrophobicContact CB-CD2 4.4Å; H517-Y536 HydrophobicContact CB-CG 3.92Å; H517-R546 PolarHBondContact CD2-NH1 2.99Å; H517-R546 PolarHBondContact NE2-NH1 2.97Å
518	R	93.9	Very high	92.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.15	C	C	.	.			trans	-146.2	57.9	-179.5	-72.2	164.8	-71.1	-67	-15	108.7	N46 E480 M482 P515 E520 V521	N46-R518 HydrophobicContact CB-CG 4.33Å; N46-R518 WeakPolarHBondContact OD1-CG 3.45Å; E480-R518 IonicContact OE1-CZ 3.61Å; E480-R518 IonicContact OE1-NE 2.76Å; E480-R518 IonicContact OE1-NH2 2.75Å; E480-R518 PolarHBondContact OE1-NH2 3.27Å; E480-R518 IonicContact OE2-CZ 3.46Å; E480-R518 IonicContact OE2-NE 3.82Å; E480-R518 PolarHBondContact OE2-NE 2.86Å; E480-R518 IonicContact OE2-NH2 2.74Å; E480-R518 PolarHBondContact OE2-NH2 3.18Å; M482-R518 PolarHBondContact SD-NH2 2.82Å; P515-R518 HydrophobicContact CG-CG 4.13Å; P515-R518 PolarHBondContact O-NH1 3.39Å; R518-E520 WeakPolarHBondContact CA-OE1 3.43Å; R518-E520 PolarHBondContact O-N 3.04Å; R518-E520 VanDerWaalsContact O-N 3.14Å; R518-V521 HydrophobicContact CB-CB 4.48Å; R518-V521 HydrophobicContact CB-CG1 3.91Å; R518-V521 HydrophobicContact CB-CG2 3.85Å; R518-V521 WeakPolarHBondContact O-CG2 3.45Å; R518-V521 PolarHBondContact O-N 3.29Å
519	C	93.9	Very high	92.3	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.007	13%	0.131	C	C	.	.	H	α-helix	trans	-60.7	-31.2	-166.4	-56.1	0	0	0	0	112.5	V521 Y522 C537 C544	C519-V521 PolarHBondContact O-N 2.92Å; C519-Y522 PolarHBondContact O-N 3.34Å; C519-C537 WeakPolarHBondContact CA-SG 3.44Å; C519-C537 HydrophobicContact CB-CB 3.67Å; C519-C537 WeakPolarHBondContact CB-SG 3.27Å; C519-C537 WeakPolarHBondContact SG-CA 3.28Å; C519-C537 WeakPolarHBondContact SG-CB 3.5Å; C519-C537 CovalentContact SG-SG 2.04Å; C519-C537 PolarHBondContact SG-SG 3.46Å; C519-C544 CarbonylContact C-O 3.51Å; C519-C544 VanDerWaalsContact CB-O 3.3Å; C519-C544 WeakPolarHBondContact CB-O 3.47Å; C519-C544 WeakPolarHBondContact O-CB 3.06Å; C519-C544 PolarHBondContact O-SG 2.78Å
520	E	90	Very high	92	Very high	102 Å²	102	23 Å²	23	48%	0.477	12%	0.119	S	C	.	.	H	α-helix	trans	-61.4	-24	175.3	69.2	-69.2	161.3	0	0	114	R518 Y522	R518-E520 WeakPolarHBondContact CA-OE1 3.43Å; R518-E520 PolarHBondContact O-N 3.04Å; R518-E520 VanDerWaalsContact O-N 3.14Å; E520-Y522 VanDerWaalsContact C-N 3.3Å; E520-Y522 PolarHBondContact O-N 3.2Å
521	V	90.4	Very high	91.8	Very high	27 Å²	27	23.1 Å²	23.1	16%	0.164	12%	0.119	C	C	.	.	H	α-helix	trans	-74	-24.5	179.4	-56.4	0	0	0	0	112.4	L34 R518 C519 G523	L34-V521 HydrophobicContact CD1-CB 4.29Å; L34-V521 HydrophobicContact CD1-CG2 3.53Å; R518-V521 HydrophobicContact CB-CB 4.48Å; R518-V521 HydrophobicContact CB-CG1 3.91Å; R518-V521 HydrophobicContact CB-CG2 3.85Å; R518-V521 WeakPolarHBondContact O-CG2 3.45Å; R518-V521 PolarHBondContact O-N 3.29Å; C519-V521 PolarHBondContact O-N 2.92Å; V521-G523 VanDerWaalsContact C-N 3.35Å; V521-G523 PolarHBondContact O-N 2.87Å
522	Y	89.1	Confident	91.6	Very high	5 Å²	5	23.1 Å²	23.1	2%	0.02	12%	0.119	C	C	.	.	H	α-helix	trans	-71.8	-30.3	-176.9	-67.6	-56.3	0	0	0	112.9	L34 E480 C519 E520 A532 D534 C537	L34-Y522 HydrophobicContact CD1-CD1 3.51Å; L34-Y522 HydrophobicContact CD1-CE1 3.62Å; L34-Y522 HydrophobicContact CG-CD1 4.25Å; L34-Y522 HydrophobicContact CG-CE1 4.23Å; E480-Y522 HydrophobicContact CG-CE1 4.49Å; E480-Y522 PolarHBondContact OE1-OH 2.82Å; E480-Y522 VanDerWaalsContact OE1-OH 3.06Å; C519-Y522 PolarHBondContact O-N 3.34Å; E520-Y522 VanDerWaalsContact C-N 3.3Å; E520-Y522 PolarHBondContact O-N 3.2Å; Y522-A532 HydrophobicContact CD1-CB 3.63Å; Y522-A532 HydrophobicContact CD2-CB 3.67Å; Y522-A532 HydrophobicContact CE1-CB 3.89Å; Y522-A532 HydrophobicContact CE2-CB 3.93Å; Y522-A532 HydrophobicContact CG-CB 3.51Å; Y522-D534 HydrophobicContact CE2-CB 3.67Å; Y522-D534 VanDerWaalsContact CE2-OD2 3.29Å; Y522-D534 WeakPolarHBondContact CE2-OD2 3.28Å; Y522-D534 PolarHBondContact OH-OD2 2.82Å; Y522-C537 HydrophobicContact CD2-CB 4.48Å; Y522-C537 HydrophobicContact CE2-CB 4.45Å
523	G	82.6	Confident	91.4	Very high	3 Å²	3	23.7 Å²	23.7	3%	0.031	12%	0.121	C	C	.	.			trans	148.1	178.7	-178.8	0	0	0	0	0	114.6	V521 E528	V521-G523 VanDerWaalsContact C-N 3.35Å; V521-G523 PolarHBondContact O-N 2.87Å; G523-E528 WeakPolarHBondContact CA-OE2 3.47Å
524	K	82.1	Confident	91.3	Very high	175 Å²	175	23.4 Å²	23.4	76%	0.761	12%	0.12	S	C	*	.	S	Bend	trans	-112.6	-1.5	178.5	-66.5	-170.2	178.7	-174.2	0	112.9	E528 W539	K524-E528 PolarHBondContact N-OE2 2.82Å; K524-W539 WeakPolarHBondContact O-CH2 3.43Å; K524-W539 WeakPolarHBondContact O-CZ3 3.5Å
525	A	85.6	Confident	91.3	Very high	33 Å²	33	23.4 Å²	23.4	27%	0.273	12%	0.12	S	C	.	.	S	Bend	trans	-104.5	150.5	175.9	0	0	0	0	0	111.7	A527 E528 C529	A525-A527 PolarHBondContact O-N 2.76Å; A525-E528 HydrophobicContact CB-CG 4.16Å; A525-E528 PolarHBondContact N-OE2 2.91Å; A525-E528 PolarHBondContact O-N 2.55Å; A525-C529 PolarHBondContact O-N 3.39Å
526	C	88.5	Confident	91.2	Very high	9 Å²	9	22.7 Å²	22.7	6%	0.061	11%	0.114	C	C	.	.	H	α-helix	trans	-53.1	-43.8	175.7	178.4	0	0	0	0	111.7	E528 C529 C530 W539 C569 L572	C526-E528 PolarHBondContact O-N 3.46Å; C526-C529 PolarHBondContact O-N 3.25Å; C526-C530 WeakPolarHBondContact O-CB 3.28Å; C526-C530 PolarHBondContact O-N 2.8Å; C526-W539 HydrophobicContact CB-CD2 3.72Å; C526-W539 HydrophobicContact CB-CE3 4.24Å; C526-W539 HydrophobicContact CB-CG 3.88Å; C526-W539 HydrophobicContact CB-CZ2 4.25Å; C526-C569 HydrophobicContact CB-CB 3.75Å; C526-C569 WeakPolarHBondContact CB-SG 3.2Å; C526-C569 PolarHBondContact O-SG 3.11Å; C526-C569 WeakPolarHBondContact SG-CB 3.41Å; C526-C569 CovalentContact SG-SG 2.04Å; C526-C569 PolarHBondContact SG-SG 2.63Å; C526-L572 HydrophobicContact CB-CD1 3.84Å
527	A	89.1	Confident	91.2	Very high	8 Å²	8	22.9 Å²	22.9	7%	0.066	12%	0.116	C	C	.	.	H	α-helix	trans	-63.2	-42.6	-178.6	0	0	0	0	0	112.6	A525 C529 C530 L531 P565 F660	A525-A527 PolarHBondContact O-N 2.76Å; A527-C529 VanDerWaalsContact C-N 3.29Å; A527-C529 PolarHBondContact O-N 2.87Å; A527-C530 PolarHBondContact O-N 3.38Å; A527-L531 WeakPolarHBondContact O-CB 3.49Å; A527-L531 VanDerWaalsContact O-CG 3.27Å; A527-L531 WeakPolarHBondContact O-CG 3.11Å; A527-L531 PolarHBondContact O-N 3.01Å; A527-P565 HydrophobicContact CB-CB 3.66Å; A527-P565 HydrophobicContact CB-CG 4.49Å; A527-F660 HydrophobicContact CB-CD1 4.27Å; A527-F660 HydrophobicContact CB-CE1 3.47Å; A527-F660 VanDerWaalsContact CB-CE1 3.47Å; A527-F660 HydrophobicContact CB-CE2 4.16Å; A527-F660 HydrophobicContact CB-CZ 3.41Å; A527-F660 VanDerWaalsContact CB-CZ 3.41Å
528	E	88.3	Confident	91.1	Very high	39 Å²	39	21.1 Å²	21.1	18%	0.182	11%	0.108	C	C	.	.	H	α-helix	trans	-63.6	-36.5	178.9	-64.5	-176.9	127.9	0	0	112.3	R33 G523 K524 A525 C526 A532	R33-E528 PolarHBondContact NH1-O 2.7Å; R33-E528 VanDerWaalsContact NH1-O 3.17Å; R33-E528 PolarHBondContact NH2-O 2.9Å; G523-E528 WeakPolarHBondContact CA-OE2 3.47Å; K524-E528 PolarHBondContact N-OE2 2.82Å; A525-E528 HydrophobicContact CB-CG 4.16Å; A525-E528 PolarHBondContact N-OE2 2.91Å; A525-E528 PolarHBondContact O-N 2.55Å; C526-E528 PolarHBondContact O-N 3.46Å; E528-A532 PolarHBondContact O-N 3.37Å
529	C	91.8	Very high	91.1	Very high	7 Å²	7	22 Å²	22	5%	0.047	11%	0.111	C	C	.	.	H	α-helix	trans	-71.1	-44.2	176.6	-162.9	0	0	0	0	111.9	A525 C526 A527 A532 W539 C544	A525-C529 PolarHBondContact O-N 3.39Å; C526-C529 PolarHBondContact O-N 3.25Å; A527-C529 VanDerWaalsContact C-N 3.29Å; A527-C529 PolarHBondContact O-N 2.87Å; C529-A532 WeakPolarHBondContact O-CB 3.44Å; C529-A532 PolarHBondContact O-N 3.16Å; C529-A532 VanDerWaalsContact O-N 3.13Å; C529-W539 HydrophobicContact CB-CB 4.39Å; C529-W539 HydrophobicContact CB-CE3 4.3Å; C529-W539 PolarHBondContact SG-N 2.92Å; C529-W539 VanDerWaalsContact SG-N 3.39Å; C529-C544 VanDerWaalsContact CA-SG 3.56Å; C529-C544 HydrophobicContact CB-CB 3.55Å; C529-C544 WeakPolarHBondContact CB-SG 3.25Å; C529-C544 WeakPolarHBondContact SG-CA 3.46Å; C529-C544 WeakPolarHBondContact SG-CB 3.34Å; C529-C544 CovalentContact SG-SG 2.04Å; C529-C544 PolarHBondContact SG-SG 3.43Å
530	C	91.6	Very high	90.7	Very high	5 Å²	5	24.3 Å²	24.3	3%	0.034	12%	0.124	C	C	.	.	H	α-helix	trans	-62.3	-45.6	177.2	-170.9	0	0	0	0	111.7	C526 A527 A532 R533 D564 P565	C526-C530 WeakPolarHBondContact O-CB 3.28Å; C526-C530 PolarHBondContact O-N 2.8Å; A527-C530 PolarHBondContact O-N 3.38Å; C530-A532 PolarHBondContact O-N 2.93Å; C530-A532 VanDerWaalsContact O-N 3.09Å; C530-R533 PolarHBondContact O-N 3.19Å; C530-D564 VanDerWaalsContact SG-C 3.58Å; C530-D564 PolarHBondContact SG-O 3.27Å; C530-P565 HydrophobicContact CB-CB 4.32Å
531	L	91.9	Very high	90.4	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.021	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-17.1	176.2	-72.8	167.8	0	0	0	113.4	R33 A527 R533 P565 E657 H658 F660	R33-L531 PolarHBondContact NE-O 2.71Å; A527-L531 WeakPolarHBondContact O-CB 3.49Å; A527-L531 VanDerWaalsContact O-CG 3.27Å; A527-L531 WeakPolarHBondContact O-CG 3.11Å; A527-L531 PolarHBondContact O-N 3.01Å; L531-R533 VanDerWaalsContact C-N 3.31Å; L531-R533 PolarHBondContact O-N 3.22Å; L531-P565 HydrophobicContact CD1-CG 4.39Å; L531-P565 HydrophobicContact CD2-CG 4.11Å; L531-P565 HydrophobicContact CG-CG 4.05Å; L531-E657 HydrophobicContact CD1-CB 4.33Å; L531-E657 HydrophobicContact CD2-CB 4.45Å; L531-E657 HydrophobicContact CD2-CG 4.22Å; L531-H658 HydrophobicContact CD2-CB 4.09Å; L531-F660 HydrophobicContact CD1-CB 4.43Å; L531-F660 HydrophobicContact CD1-CD1 3.86Å; L531-F660 HydrophobicContact CD1-CG 4.45Å
532	A	93.1	Very high	90.1	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.008	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-33.9	177.7	0	0	0	0	0	113.1	L479 Y522 E528 C529 C530 D534	L479-A532 VanDerWaalsContact CD2-O 3.29Å; L479-A532 WeakPolarHBondContact CD2-O 3.41Å; Y522-A532 HydrophobicContact CD1-CB 3.63Å; Y522-A532 HydrophobicContact CD2-CB 3.67Å; Y522-A532 HydrophobicContact CE1-CB 3.89Å; Y522-A532 HydrophobicContact CE2-CB 3.93Å; Y522-A532 HydrophobicContact CG-CB 3.51Å; E528-A532 PolarHBondContact O-N 3.37Å; C529-A532 WeakPolarHBondContact O-CB 3.44Å; C529-A532 PolarHBondContact O-N 3.16Å; C529-A532 VanDerWaalsContact O-N 3.13Å; C530-A532 PolarHBondContact O-N 2.93Å; C530-A532 VanDerWaalsContact O-N 3.09Å; A532-D534 HydrophobicContact CB-CB 4.42Å; A532-D534 PolarHBondContact O-N 2.83Å; A532-D534 VanDerWaalsContact O-N 3.07Å
533	R	94.1	Very high	90	Very high	11 Å²	11	28.2 Å²	28.2	4%	0.042	16%	0.162	C	C	.	.			trans	50.8	29.4	-176	-58.4	173.9	71.1	-171.8	1.6	112.9	E475 C530 L531 P535 I560 R561	E475-R533 IonicContact OE2-CZ 3.72Å; E475-R533 IonicContact OE2-NH1 2.71Å; E475-R533 IonicContact OE2-NH2 3.5Å; E475-R533 PolarHBondContact OE2-NH2 3.33Å; C530-R533 PolarHBondContact O-N 3.19Å; L531-R533 VanDerWaalsContact C-N 3.31Å; L531-R533 PolarHBondContact O-N 3.22Å; R533-P535 WeakPolarHBondContact O-CD 2.97Å; R533-I560 PolarHBondContact NE-O 3.39Å; R533-R561 PolarHBondContact NH2-O 3.14Å
534	D	96.1	Very high	90.5	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	16%	0.162	C	C	.	.			trans	-90.8	114.6	178.2	-172.2	-20.5	0	0	0	109.9	K462 L479 Y522 A532 Y536 C537 I560	K462-D534 WeakPolarHBondContact CE-OD2 3.49Å; K462-D534 IonicContact NZ-OD1 3.62Å; K462-D534 PolarHBondContact NZ-OD1 2.72Å; K462-D534 IonicContact NZ-OD2 3.56Å; K462-D534 PolarHBondContact NZ-OD2 2.89Å; L479-D534 HydrophobicContact CD1-CB 4Å; Y522-D534 HydrophobicContact CE2-CB 3.67Å; Y522-D534 VanDerWaalsContact CE2-OD2 3.29Å; Y522-D534 WeakPolarHBondContact CE2-OD2 3.28Å; Y522-D534 PolarHBondContact OH-OD2 2.82Å; A532-D534 HydrophobicContact CB-CB 4.42Å; A532-D534 PolarHBondContact O-N 2.83Å; A532-D534 VanDerWaalsContact O-N 3.07Å; D534-Y536 PolarHBondContact O-N 2.86Å; D534-Y536 VanDerWaalsContact O-N 3.07Å; D534-Y536 WeakPolarHBondContact OD1-CD2 3.39Å; D534-Y536 PolarHBondContact OD1-N 3.49Å; D534-C537 HydrophobicContact CB-CB 4.15Å; D534-C537 PolarHBondContact O-N 3.05Å; D534-C537 VanDerWaalsContact O-O 3.08Å; D534-I560 VanDerWaalsContact C-CD1 3.45Å; D534-I560 WeakPolarHBondContact O-CD1 3.34Å
535	P	96.2	Very high	91	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-25.9	-178.5	-27.9	37.2	0	0	0	114.3	V441 A443 Y448 V450 V464 R533 C537 Q558 I560	V441-P535 HydrophobicContact CB-CB 4Å; V441-P535 HydrophobicContact CG1-CB 3.8Å; A443-P535 HydrophobicContact CB-CB 4.31Å; Y448-P535 HydrophobicContact CD2-CG 4.35Å; Y448-P535 HydrophobicContact CG-CG 4.08Å; V450-P535 HydrophobicContact CG2-CB 4.35Å; V450-P535 HydrophobicContact CG2-CG 3.87Å; V464-P535 HydrophobicContact CG2-CG 3.78Å; R533-P535 WeakPolarHBondContact O-CD 2.97Å; P535-C537 VanDerWaalsContact C-N 3.26Å; P535-C537 PolarHBondContact O-N 2.98Å; P535-Q558 PolarHBondContact O-NE2 3.29Å; P535-I560 HydrophobicContact CG-CD1 4.37Å; P535-I560 HydrophobicContact CG-CG1 4.42Å; P535-I560 HydrophobicContact CG-CG2 4.14Å
536	Y	96.3	Very high	91.3	Very high	6 Å²	6	22.7 Å²	22.7	2%	0.024	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-11	177.2	-64	-78.1	0	0	0	113.8	D439 V441 V450 F452 L516 H517 D534 R546 Y547	D439-Y536 WeakPolarHBondContact CB-OH 3.19Å; D439-Y536 VanDerWaalsContact CG-OH 3.26Å; D439-Y536 PolarHBondContact OD2-OH 2.91Å; V441-Y536 HydrophobicContact CB-CE1 4.31Å; V441-Y536 HydrophobicContact CG1-CD1 3.68Å; V441-Y536 HydrophobicContact CG1-CE1 3.73Å; V441-Y536 HydrophobicContact CG1-CG 4.11Å; V441-Y536 HydrophobicContact CG2-CD1 4.27Å; V441-Y536 HydrophobicContact CG2-CD2 4.45Å; V441-Y536 HydrophobicContact CG2-CE1 3.53Å; V441-Y536 HydrophobicContact CG2-CE2 3.77Å; V441-Y536 VanDerWaalsContact CG2-OH 3.31Å; V441-Y536 WeakPolarHBondContact CG2-OH 3.49Å; V450-Y536 HydrophobicContact CB-CE2 4.22Å; V450-Y536 HydrophobicContact CG1-CE2 4.01Å; V450-Y536 HydrophobicContact CG2-CE2 4.19Å; F452-Y536 HydrophobicContact CZ-CE2 4.19Å; L516-Y536 HydrophobicContact CB-CE1 4.23Å; L516-Y536 HydrophobicContact CB-CE2 4.31Å; L516-Y536 HydrophobicContact CD1-CE1 4.49Å; H517-Y536 VanDerWaalsContact CB-CB 3.46Å; H517-Y536 HydrophobicContact CB-CD1 4.49Å; H517-Y536 HydrophobicContact CB-CD2 4.4Å; H517-Y536 HydrophobicContact CB-CG 3.92Å; D534-Y536 PolarHBondContact O-N 2.86Å; D534-Y536 VanDerWaalsContact O-N 3.07Å; D534-Y536 WeakPolarHBondContact OD1-CD2 3.39Å; D534-Y536 PolarHBondContact OD1-N 3.49Å; Y536-R546 CarbonylContact O-C 3.43Å; Y536-R546 WeakPolarHBondContact O-CA 3.44Å; Y536-Y547 PolarHBondContact O-N 2.95Å
537	C	95.5	Very high	91.5	Very high	4 Å²	4	23.5 Å²	23.5	3%	0.027	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	138.8	-168.6	-59.1	0	0	0	0	112.2	C519 Y522 D534 P535 S545 Q558	C519-C537 WeakPolarHBondContact CA-SG 3.44Å; C519-C537 HydrophobicContact CB-CB 3.67Å; C519-C537 WeakPolarHBondContact CB-SG 3.27Å; C519-C537 WeakPolarHBondContact SG-CA 3.28Å; C519-C537 WeakPolarHBondContact SG-CB 3.5Å; C519-C537 CovalentContact SG-SG 2.04Å; C519-C537 PolarHBondContact SG-SG 3.46Å; Y522-C537 HydrophobicContact CD2-CB 4.48Å; Y522-C537 HydrophobicContact CE2-CB 4.45Å; D534-C537 HydrophobicContact CB-CB 4.15Å; D534-C537 PolarHBondContact O-N 3.05Å; D534-C537 VanDerWaalsContact O-O 3.08Å; P535-C537 VanDerWaalsContact C-N 3.26Å; P535-C537 PolarHBondContact O-N 2.98Å; C537-S545 WeakPolarHBondContact CA-O 3.39Å; C537-Q558 PolarHBondContact O-NE2 2.91Å
538	A	94	Very high	91.3	Very high	3 Å²	3	28.4 Å²	28.4	3%	0.025	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	151.9	175.5	0	0	0	0	0	109.9	S545 Y547 R556 Q558	A538-S545 PolarHBondContact N-O 2.82Å; A538-S545 PolarHBondContact O-N 3.02Å; A538-Y547 HydrophobicContact CB-CD2 3.88Å; A538-Y547 HydrophobicContact CB-CG 4.48Å; A538-R556 HydrophobicContact CB-CG 4.15Å; A538-Q558 HydrophobicContact CB-CB 3.94Å; A538-Q558 HydrophobicContact CB-CG 4.32Å
539	W	91.9	Very high	90.8	Very high	17 Å²	17	30.1 Å²	30.1	6%	0.064	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	130.4	168	-178.3	-107	0	0	0	108.7	K524 C526 C529 G541 A542 E543 R556 R557 L572	K524-W539 WeakPolarHBondContact O-CH2 3.43Å; K524-W539 WeakPolarHBondContact O-CZ3 3.5Å; C526-W539 HydrophobicContact CB-CD2 3.72Å; C526-W539 HydrophobicContact CB-CE3 4.24Å; C526-W539 HydrophobicContact CB-CG 3.88Å; C526-W539 HydrophobicContact CB-CZ2 4.25Å; C529-W539 HydrophobicContact CB-CB 4.39Å; C529-W539 HydrophobicContact CB-CE3 4.3Å; C529-W539 PolarHBondContact SG-N 2.92Å; C529-W539 VanDerWaalsContact SG-N 3.39Å; W539-G541 VanDerWaalsContact CD1-N 3.35Å; W539-G541 VanDerWaalsContact NE1-CA 3.25Å; W539-A542 WeakPolarHBondContact CH2-O 3.41Å; W539-E543 VanDerWaalsContact CZ3-C 3.45Å; W539-R556 CarbonylContact O-C 3.54Å; W539-R556 WeakPolarHBondContact O-CA 3.38Å; W539-R557 HydrophobicContact CB-CB 4.11Å; W539-R557 PolarHBondContact N-O 2.81Å; W539-R557 PolarHBondContact O-N 2.05Å; W539-L572 VanDerWaalsContact NE1-CD1 3.28Å
540	D	86.7	Confident	89.8	Confident	50 Å²	50	35.5 Å²	35.5	27%	0.267	20%	0.196	S	C	.	.			trans	-100.1	-5.7	179.9	63.4	16.5	0	0	0	114.7	A542 E543 S545 T555	D540-A542 PolarHBondContact OD1-N 2.7Å; D540-E543 PolarHBondContact N-O 2.85Å; D540-E543 PolarHBondContact OD1-N 2.84Å; D540-S545 WeakPolarHBondContact CB-OG 2.93Å; D540-S545 VanDerWaalsContact CG-OG 3.3Å; D540-S545 WeakPolarHBondContact OD2-CB 3.05Å; D540-S545 PolarHBondContact OD2-OG 3.38Å; D540-T555 PolarHBondContact O-OG1 3.16Å
541	G	84.3	Confident	88.5	Confident	30 Å²	30	39.8 Å²	39.8	31%	0.309	23%	0.231	S	C	.	.	S	Bend	trans	116.7	-18.9	-173.2	0	0	0	0	0	113.3	W539	W539-G541 VanDerWaalsContact CD1-N 3.35Å; W539-G541 VanDerWaalsContact NE1-CA 3.25Å
542	A	83	Confident	87	Confident	77 Å²	77	48.9 Å²	48.9	64%	0.636	27%	0.271	S	S	*	.	S	Bend	trans	-130.8	-39.6	-178.5	0	0	0	0	0	113.2	W539 D540	W539-A542 WeakPolarHBondContact CH2-O 3.41Å; D540-A542 PolarHBondContact OD1-N 2.7Å
543	E	88.3	Confident	85.8	Confident	110 Å²	110	56.1 Å²	56.1	51%	0.514	30%	0.298	S	S	.	.	S	Bend	trans	-145.7	168	178.3	65.6	-176.6	171	0	0	112.4	W539 D540 S545	W539-E543 VanDerWaalsContact CZ3-C 3.45Å; D540-E543 PolarHBondContact N-O 2.85Å; D540-E543 PolarHBondContact OD1-N 2.84Å; E543-S545 PolarHBondContact O-N 2.77Å
544	C	91.9	Very high	84.6	Confident	4 Å²	4	66.8 Å²	66.8	3%	0.027	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	105.9	171	-163.4	0	0	0	0	108.7	C519 C529	C519-C544 CarbonylContact C-O 3.51Å; C519-C544 VanDerWaalsContact CB-O 3.3Å; C519-C544 WeakPolarHBondContact CB-O 3.47Å; C519-C544 WeakPolarHBondContact O-CB 3.06Å; C519-C544 PolarHBondContact O-SG 2.78Å; C529-C544 VanDerWaalsContact CA-SG 3.56Å; C529-C544 HydrophobicContact CB-CB 3.55Å; C529-C544 WeakPolarHBondContact CB-SG 3.25Å; C529-C544 WeakPolarHBondContact SG-CA 3.46Å; C529-C544 WeakPolarHBondContact SG-CB 3.34Å; C529-C544 CovalentContact SG-SG 2.04Å; C529-C544 PolarHBondContact SG-SG 3.43Å
545	S	92.6	Very high	83.5	Confident	29 Å²	29	70 Å²	70	20%	0.203	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	174.3	-173.8	68.8	0	0	0	0	111.5	C537 A538 D540 E543 Y547	C537-S545 WeakPolarHBondContact CA-O 3.39Å; A538-S545 PolarHBondContact N-O 2.82Å; A538-S545 PolarHBondContact O-N 3.02Å; D540-S545 WeakPolarHBondContact CB-OG 2.93Å; D540-S545 VanDerWaalsContact CG-OG 3.3Å; D540-S545 WeakPolarHBondContact OD2-CB 3.05Å; D540-S545 PolarHBondContact OD2-OG 3.38Å; E543-S545 PolarHBondContact O-N 2.77Å; S545-Y547 PolarHBondContact O-N 3.08Å
546	R	92.8	Very high	83.1	Confident	61 Å²	61	71.6 Å²	71.6	23%	0.23	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	131.5	-178.3	-176.8	-174.5	168.1	102	12.8	110.4	Q501 H517 Y536 F548	Q501-R546 VanDerWaalsContact CG-NH1 3.27Å; Q501-R546 VanDerWaalsContact OE1-CZ 3.25Å; H517-R546 PolarHBondContact CD2-NH1 2.99Å; H517-R546 PolarHBondContact NE2-NH1 2.97Å; Y536-R546 CarbonylContact O-C 3.43Å; Y536-R546 WeakPolarHBondContact O-CA 3.44Å; R546-F548 HydrophobicContact CB-CE2 3.92Å; R546-F548 HydrophobicContact CB-CZ 4.37Å; R546-F548 HydrophobicContact CG-CE2 4.06Å; R546-F548 HydrophobicContact CG-CZ 4.15Å; R546-F548 VanDerWaalsContact O-CD2 3.24Å; R546-F548 WeakPolarHBondContact O-CD2 3.33Å; R546-F548 PolarHBondContact O-N 2.96Å
547	Y	91.4	Very high	82.8	Confident	26 Å²	26	73.4 Å²	73.4	10%	0.102	37%	0.371	C	S	.	.			trans	-67.6	129.5	171.5	179.4	-103.4	0	0	0	110.7	E442 A443 E444 Y536 A538 S545 P549	E442-Y547 WeakPolarHBondContact O-CD1 3.4Å; E442-Y547 WeakPolarHBondContact O-CE1 3.49Å; A443-Y547 PolarHBondContact O-OH 2.77Å; E444-Y547 WeakPolarHBondContact CA-OH 3.46Å; E444-Y547 HydrophobicContact CB-CE2 4.22Å; E444-Y547 PolarHBondContact N-OH 2.89Å; Y536-Y547 PolarHBondContact O-N 2.95Å; A538-Y547 HydrophobicContact CB-CD2 3.88Å; A538-Y547 HydrophobicContact CB-CG 4.48Å; S545-Y547 PolarHBondContact O-N 3.08Å; Y547-P549 HydrophobicContact CE1-CB 4.33Å
548	F	85.6	Confident	82.6	Confident	112 Å²	112	73.8 Å²	73.8	49%	0.491	37%	0.372	S	S	.	.			trans	-125.7	129.3	171.1	-69.3	-82	0	0	0	109.2	R546 M550 R556	R546-F548 HydrophobicContact CB-CE2 3.92Å; R546-F548 HydrophobicContact CB-CZ 4.37Å; R546-F548 HydrophobicContact CG-CE2 4.06Å; R546-F548 HydrophobicContact CG-CZ 4.15Å; R546-F548 VanDerWaalsContact O-CD2 3.24Å; R546-F548 WeakPolarHBondContact O-CD2 3.33Å; R546-F548 PolarHBondContact O-N 2.96Å; F548-M550 HydrophobicContact CB-CG 4.26Å; F548-M550 PolarHBondContact O-N 2.93Å; F548-R556 VanDerWaalsContact O-CZ 3.29Å; F548-R556 PolarHBondContact O-NH1 2.99Å; F548-R556 VanDerWaalsContact O-NH1 3.16Å; F548-R556 PolarHBondContact O-NH2 3.27Å
549	P	78.4	Confident	82.5	Confident	75 Å²	75	74.2 Å²	74.2	49%	0.487	37%	0.374	S	S	.	.			trans	-72.4	70.9	175.4	29.9	-33.4	0	0	0	110.2	Y547	Y547-P549 HydrophobicContact CE1-CB 4.33Å
550	M	70.6	Confident	82.5	Confident	120 Å²	120	73.5 Å²	73.5	59%	0.591	37%	0.371	S	S	*	.			trans	-109.7	156.5	171.1	-65.9	-175.4	75.5	0	0	110	F548 K552 R556	F548-M550 HydrophobicContact CB-CG 4.26Å; F548-M550 PolarHBondContact O-N 2.93Å; M550-K552 PolarHBondContact O-N 3.37Å; M550-R556 PolarHBondContact O-NH1 3Å
551	A	63.6	Low	82.7	Confident	95 Å²	95	76.7 Å²	76.7	79%	0.785	38%	0.379	S	S	*	.	S	Bend	trans	-43	134.2	178.9	0	0	0	0	0	112.3	R553	A551-R553 PolarHBondContact O-N 3.31Å
552	K	61.7	Low	82.9	Confident	195 Å²	195	80.3 Å²	80.3	85%	0.848	39%	0.392	S	S	*	.			trans	-46.3	108.6	-169	-64.2	-169.6	176.2	-166.8	0	111.7	M550	M550-K552 PolarHBondContact O-N 3.37Å
553	R	66.4	Low	83.2	Confident	152 Å²	152	76.7 Å²	76.7	57%	0.574	36%	0.362	S	S	*	.			trans	-80.6	132.2	165	-69.1	-170.8	179.1	-176.1	0.8	108	A551 T555 R556	A551-R553 PolarHBondContact O-N 3.31Å; R553-T555 PolarHBondContact O-N 3.42Å; R553-R556 HydrophobicContact CB-CB 4.5Å; R553-R556 PolarHBondContact O-N 2.97Å; R553-R556 VanDerWaalsContact O-N 3.16Å
554	R	68.8	Low	83.3	Confident	236 Å²	236	73.8 Å²	73.8	89%	0.891	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-22.8	-179.1	-90.6	-172.4	176	-164.4	-0.7	114.2	R557	R554-R557 PolarHBondContact O-NH1 2.85Å; R554-R557 PolarHBondContact O-NH2 3.13Å; R554-R557 VanDerWaalsContact O-NH2 3.13Å
555	T	74.5	Confident	83.1	Confident	69 Å²	69	73.7 Å²	73.7	42%	0.423	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-7.9	-176.2	54.2	0	0	0	0	114.1	D540 R553	D540-T555 PolarHBondContact O-OG1 3.16Å; R553-T555 PolarHBondContact O-N 3.42Å
556	R	87.1	Confident	82.8	Confident	32 Å²	32	76.9 Å²	76.9	12%	0.121	36%	0.364	C	S	.	.			trans	-72.9	134.9	-178	-173.2	-177.1	-66.9	153.9	-2.5	110.6	A538 W539 F548 M550 R553	A538-R556 HydrophobicContact CB-CG 4.15Å; W539-R556 CarbonylContact O-C 3.54Å; W539-R556 WeakPolarHBondContact O-CA 3.38Å; F548-R556 VanDerWaalsContact O-CZ 3.29Å; F548-R556 PolarHBondContact O-NH1 2.99Å; F548-R556 VanDerWaalsContact O-NH1 3.16Å; F548-R556 PolarHBondContact O-NH2 3.27Å; M550-R556 PolarHBondContact O-NH1 3Å; R553-R556 HydrophobicContact CB-CB 4.5Å; R553-R556 PolarHBondContact O-N 2.97Å; R553-R556 VanDerWaalsContact O-N 3.16Å
557	R	89.1	Confident	82.5	Confident	45 Å²	45	78.1 Å²	78.1	17%	0.17	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-134.7	127.6	174.1	-53.9	-68.4	-179.6	-98.2	-4.7	110.8	W539 R554 Q568 D571	W539-R557 HydrophobicContact CB-CB 4.11Å; W539-R557 PolarHBondContact N-O 2.81Å; W539-R557 PolarHBondContact O-N 2.05Å; R554-R557 PolarHBondContact O-NH1 2.85Å; R554-R557 PolarHBondContact O-NH2 3.13Å; R554-R557 VanDerWaalsContact O-NH2 3.13Å; R557-Q568 HydrophobicContact CB-CB 4.4Å; R557-Q568 WeakPolarHBondContact CD-O 3.3Å; R557-Q568 WeakPolarHBondContact CG-O 3.21Å; R557-Q568 PolarHBondContact NE-O 3.46Å; R557-D571 IonicContact CZ-OD2 2.75Å; R557-D571 IonicContact NH2-OD1 3.23Å; R557-D571 IonicContact NH2-OD2 3.79Å; R557-D571 PolarHBondContact NH2-OD2 3Å
558	Q	92.1	Very high	82.2	Confident	11 Å²	11	79.6 Å²	79.6	5%	0.051	39%	0.386	C	S	.	.			trans	-147.9	131.8	171.7	-169.3	-178.1	49.8	0	0	109.3	E444 P535 C537 A538 I560	E444-Q558 HydrophobicContact CB-CB 4.19Å; E444-Q558 PolarHBondContact OE2-N 3.4Å; P535-Q558 PolarHBondContact O-NE2 3.29Å; C537-Q558 PolarHBondContact O-NE2 2.91Å; A538-Q558 HydrophobicContact CB-CB 3.94Å; A538-Q558 HydrophobicContact CB-CG 4.32Å; Q558-I560 HydrophobicContact CG-CD1 3.7Å; Q558-I560 HydrophobicContact CG-CG1 4.09Å
559	D	91.2	Very high	82.1	Confident	12 Å²	12	74.4 Å²	74.4	6%	0.064	36%	0.363	C	S	.	.			trans	-140.2	90.6	174.3	178.9	14	0	0	0	109.8	R561 N562 G563 D564 Q568	D559-R561 PolarHBondContact OD1-N 3.44Å; D559-N562 PolarHBondContact OD1-N 2.99Å; D559-N562 PolarHBondContact OD1-ND2 3.11Å; D559-N562 WeakPolarHBondContact OD2-CB 3.37Å; D559-G563 VanDerWaalsContact CG-N 3.33Å; D559-G563 VanDerWaalsContact O-CA 3.23Å; D559-G563 WeakPolarHBondContact O-CA 3.37Å; D559-G563 PolarHBondContact O-N 2.96Å; D559-G563 VanDerWaalsContact O-N 3.11Å; D559-G563 PolarHBondContact OD2-N 2.77Å; D559-G563 VanDerWaalsContact OD2-N 3.12Å; D559-D564 PolarHBondContact OD2-N 3.34Å; D559-Q568 HydrophobicContact CB-CG 3.95Å
560	I	93.2	Very high	82	Confident	2 Å²	2	73.7 Å²	73.7	1%	0.01	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-43.2	-180	-53.7	-51.2	0	0	0	110.1	A443 Y448 I466 R533 D534 P535 Q558	A443-I560 HydrophobicContact CB-CG1 3.95Å; Y448-I560 HydrophobicContact CD1-CG2 3.91Å; Y448-I560 HydrophobicContact CD2-CB 4.47Å; Y448-I560 HydrophobicContact CD2-CG1 4.49Å; Y448-I560 HydrophobicContact CD2-CG2 4.16Å; Y448-I560 HydrophobicContact CE1-CB 4.3Å; Y448-I560 HydrophobicContact CE1-CG2 3.62Å; Y448-I560 HydrophobicContact CE2-CB 3.86Å; Y448-I560 HydrophobicContact CE2-CG1 4.14Å; Y448-I560 HydrophobicContact CE2-CG2 3.89Å; Y448-I560 HydrophobicContact CG-CG2 4.16Å; I466-I560 HydrophobicContact CD1-CG2 3.86Å; I466-I560 WeakPolarHBondContact CD1-O 3.47Å; I466-I560 HydrophobicContact CG1-CG2 4.17Å; R533-I560 PolarHBondContact NE-O 3.39Å; D534-I560 VanDerWaalsContact C-CD1 3.45Å; D534-I560 WeakPolarHBondContact O-CD1 3.34Å; P535-I560 HydrophobicContact CG-CD1 4.37Å; P535-I560 HydrophobicContact CG-CG1 4.42Å; P535-I560 HydrophobicContact CG-CG2 4.14Å; Q558-I560 HydrophobicContact CG-CD1 3.7Å; Q558-I560 HydrophobicContact CG-CG1 4.09Å
561	R	90.1	Very high	81.8	Confident	117 Å²	117	71.7 Å²	71.7	44%	0.442	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-48.1	-171.4	-168.5	172	-177.4	-170.3	-4	112.8	I466 R468 R533 D559	I466-R561 HydrophobicContact CG2-CG 4.29Å; R468-R561 PolarHBondContact O-NH2 2.99Å; R533-R561 PolarHBondContact NH2-O 3.14Å; D559-R561 PolarHBondContact OD1-N 3.44Å
562	N	88.7	Confident	81.8	Confident	107 Å²	107	68.8 Å²	68.8	57%	0.572	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-29.5	-175.6	-37.8	-75	0	0	0	112.5	D559 D564	D559-N562 PolarHBondContact OD1-N 2.99Å; D559-N562 PolarHBondContact OD1-ND2 3.11Å; D559-N562 WeakPolarHBondContact OD2-CB 3.37Å; N562-D564 VanDerWaalsContact C-N 3.33Å; N562-D564 HydrophobicContact CB-CB 4.41Å
563	G	89.6	Confident	81.4	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.01	30%	0.301	C	S	.	.			trans	60.3	42.6	-174.5	0	0	0	0	0	112.2	D559 P565	D559-G563 VanDerWaalsContact CG-N 3.33Å; D559-G563 VanDerWaalsContact O-CA 3.23Å; D559-G563 WeakPolarHBondContact O-CA 3.37Å; D559-G563 PolarHBondContact O-N 2.96Å; D559-G563 VanDerWaalsContact O-N 3.11Å; D559-G563 PolarHBondContact OD2-N 2.77Å; D559-G563 VanDerWaalsContact OD2-N 3.12Å; G563-P565 WeakPolarHBondContact O-CD 3.46Å
564	D	89.3	Confident	80.5	Confident	48 Å²	48	62.9 Å²	62.9	26%	0.257	31%	0.305	S	S	.	.			trans	-95.4	101.8	-175	177.4	16.6	0	0	0	112.3	C530 D559 N562 L566 T567 Q568	C530-D564 VanDerWaalsContact SG-C 3.58Å; C530-D564 PolarHBondContact SG-O 3.27Å; D559-D564 PolarHBondContact OD2-N 3.34Å; N562-D564 VanDerWaalsContact C-N 3.33Å; N562-D564 HydrophobicContact CB-CB 4.41Å; D564-L566 VanDerWaalsContact C-N 3.33Å; D564-L566 PolarHBondContact O-N 2.98Å; D564-L566 WeakPolarHBondContact OD1-CB 3Å; D564-L566 PolarHBondContact OD1-N 3.11Å; D564-T567 VanDerWaalsContact CG-OG1 3.26Å; D564-T567 WeakPolarHBondContact OD2-CB 3.44Å; D564-T567 WeakPolarHBondContact OD2-CG2 3.44Å; D564-T567 PolarHBondContact OD2-OG1 3.2Å; D564-Q568 WeakPolarHBondContact O-CB 3.15Å; D564-Q568 WeakPolarHBondContact O-CG 3.28Å; D564-Q568 PolarHBondContact O-N 3.23Å
565	P	88.3	Confident	79.5	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.013	29%	0.291	C	S	.	.	H	α-helix	trans	-72.2	-22.1	177.2	30.7	-37.5	0	0	0	113.7	A527 C530 L531 G563 C569 F660	A527-P565 HydrophobicContact CB-CB 3.66Å; A527-P565 HydrophobicContact CB-CG 4.49Å; C530-P565 HydrophobicContact CB-CB 4.32Å; L531-P565 HydrophobicContact CD1-CG 4.39Å; L531-P565 HydrophobicContact CD2-CG 4.11Å; L531-P565 HydrophobicContact CG-CG 4.05Å; G563-P565 WeakPolarHBondContact O-CD 3.46Å; P565-C569 VanDerWaalsContact O-CB 3.27Å; P565-C569 WeakPolarHBondContact O-CB 3.37Å; P565-C569 PolarHBondContact O-N 2.96Å; P565-F660 HydrophobicContact CB-CD2 4.06Å; P565-F660 HydrophobicContact CB-CE2 4.24Å; P565-F660 HydrophobicContact CB-CG 4.31Å; P565-F660 HydrophobicContact CG-CB 3.51Å; P565-F660 HydrophobicContact CG-CD1 4.05Å; P565-F660 HydrophobicContact CG-CD2 3.38Å; P565-F660 HydrophobicContact CG-CE2 4.05Å; P565-F660 HydrophobicContact CG-CG 3.37Å
566	L	85.9	Confident	78.2	Confident	97 Å²	97	58.3 Å²	58.3	51%	0.508	29%	0.292	S	S	.	.	H	α-helix	trans	-69.8	-41.1	-175.2	-66.7	171.4	0	0	0	111.3	D564 S570 F660	D564-L566 VanDerWaalsContact C-N 3.33Å; D564-L566 PolarHBondContact O-N 2.98Å; D564-L566 WeakPolarHBondContact OD1-CB 3Å; D564-L566 PolarHBondContact OD1-N 3.11Å; L566-S570 VanDerWaalsContact O-CB 3.31Å; L566-S570 WeakPolarHBondContact O-CB 3.03Å; L566-F660 HydrophobicContact CD2-CD2 3.85Å; L566-F660 HydrophobicContact CD2-CE2 4.16Å; L566-F660 HydrophobicContact CG-CD2 4.18Å
567	T	86.1	Confident	76	Confident	87 Å²	87	65 Å²	65	53%	0.534	32%	0.324	S	S	.	.	H	α-helix	trans	-78.4	-38.3	175.5	53.7	0	0	0	0	111.8	D564 S570	D564-T567 VanDerWaalsContact CG-OG1 3.26Å; D564-T567 WeakPolarHBondContact OD2-CB 3.44Å; D564-T567 WeakPolarHBondContact OD2-CG2 3.44Å; D564-T567 PolarHBondContact OD2-OG1 3.2Å; T567-S570 PolarHBondContact O-OG 3.33Å
568	Q	85.4	Confident	73.6	Confident	56 Å²	56	70.2 Å²	70.2	26%	0.262	36%	0.355	S	S	.	.	H	α-helix	trans	-79.1	-31.4	-173.5	-63.1	-62	-31	0	0	114.3	R557 D559 D564	R557-Q568 HydrophobicContact CB-CB 4.4Å; R557-Q568 WeakPolarHBondContact CD-O 3.3Å; R557-Q568 WeakPolarHBondContact CG-O 3.21Å; R557-Q568 PolarHBondContact NE-O 3.46Å; D559-Q568 HydrophobicContact CB-CG 3.95Å; D564-Q568 WeakPolarHBondContact O-CB 3.15Å; D564-Q568 WeakPolarHBondContact O-CG 3.28Å; D564-Q568 PolarHBondContact O-N 3.23Å
569	C	84.8	Confident	71	Confident	3 Å²	3	72.5 Å²	72.5	2%	0.02	37%	0.372	C	S	.	.	S	Bend	trans	-116.3	11.9	-170.7	-55.9	0	0	0	0	114.2	C526 P565 D571 L572 Q573	C526-C569 HydrophobicContact CB-CB 3.75Å; C526-C569 WeakPolarHBondContact CB-SG 3.2Å; C526-C569 PolarHBondContact O-SG 3.11Å; C526-C569 WeakPolarHBondContact SG-CB 3.41Å; C526-C569 CovalentContact SG-SG 2.04Å; C526-C569 PolarHBondContact SG-SG 2.63Å; P565-C569 VanDerWaalsContact O-CB 3.27Å; P565-C569 WeakPolarHBondContact O-CB 3.37Å; P565-C569 PolarHBondContact O-N 2.96Å; C569-D571 VanDerWaalsContact C-N 3.29Å; C569-D571 PolarHBondContact O-N 2.66Å; C569-L572 PolarHBondContact O-N 2.93Å; C569-L572 VanDerWaalsContact O-N 3.16Å; C569-Q573 PolarHBondContact O-N 2.73Å
570	S	75.4	Confident	68.5	Low	61 Å²	61	75.2 Å²	75.2	43%	0.427	40%	0.403	S	S	.	.	H	α-helix	trans	-61.4	-31.5	-174.7	40.6	0	0	0	0	114.2	L566 T567 L572	L566-S570 VanDerWaalsContact O-CB 3.31Å; L566-S570 WeakPolarHBondContact O-CB 3.03Å; T567-S570 PolarHBondContact O-OG 3.33Å; S570-L572 VanDerWaalsContact C-N 3.34Å
571	D	67.5	Low	66	Low	77 Å²	77	82.1 Å²	82.1	41%	0.412	44%	0.435	S	S	.	.	H	α-helix	trans	-74.9	-20.9	178.4	56.6	-23.5	0	0	0	113.8	R557 C569	R557-D571 IonicContact CZ-OD2 2.75Å; R557-D571 IonicContact NH2-OD1 3.23Å; R557-D571 IonicContact NH2-OD2 3.79Å; R557-D571 PolarHBondContact NH2-OD2 3Å; C569-D571 VanDerWaalsContact C-N 3.29Å; C569-D571 PolarHBondContact O-N 2.66Å
572	L	61.7	Low	64.2	Low	35 Å²	35	79.4 Å²	79.4	18%	0.183	44%	0.438	C	S	.	.	H	α-helix	trans	-93.8	-28.8	-178.9	-69.3	165.3	0	0	0	113	C526 W539 C569 S570 Q574 Q575 D576	C526-L572 HydrophobicContact CB-CD1 3.84Å; W539-L572 VanDerWaalsContact NE1-CD1 3.28Å; C569-L572 PolarHBondContact O-N 2.93Å; C569-L572 VanDerWaalsContact O-N 3.16Å; S570-L572 VanDerWaalsContact C-N 3.34Å; L572-Q574 PolarHBondContact O-N 3.01Å; L572-Q575 PolarHBondContact O-N 2.88Å; L572-D576 PolarHBondContact O-N 2.79Å; L572-D576 VanDerWaalsContact O-N 3.12Å
573	Q	55	Low	62.7	Low	81 Å²	81	81.1 Å²	81.1	38%	0.379	45%	0.452	S	S	.	.	H	α-helix	trans	-59.2	-35.1	175.6	-75.7	-178.8	-25.4	0	0	112.3	C569 Q575 E577	C569-Q573 PolarHBondContact O-N 2.73Å; Q573-Q575 VanDerWaalsContact C-N 3.33Å; Q573-Q575 PolarHBondContact O-N 3.47Å; Q573-E577 PolarHBondContact O-N 3.46Å
574	Q	47.3	Very low	62	Low	141 Å²	141	84.8 Å²	84.8	66%	0.659	47%	0.471	S	S	*	.	H	α-helix	trans	-67.1	-31.7	175.3	-75.9	179.4	-5.5	0	0	112.9	L572 L578	L572-Q574 PolarHBondContact O-N 3.01Å; Q574-L578 WeakPolarHBondContact O-CD1 3.09Å; Q574-L578 WeakPolarHBondContact O-CG 3.34Å; Q574-L578 PolarHBondContact O-N 2.83Å
575	Q	46.3	Very low	61.5	Low	128 Å²	128	88.3 Å²	88.3	60%	0.598	49%	0.489	S	S	*	.	H	α-helix	trans	-79.3	-35.2	178.7	-79	-174.6	-12.6	0	0	112.9	L572 Q573 L578 S579	L572-Q575 PolarHBondContact O-N 2.88Å; Q573-Q575 VanDerWaalsContact C-N 3.33Å; Q573-Q575 PolarHBondContact O-N 3.47Å; Q575-L578 CarbonylContact O-C 3.56Å; Q575-L578 PolarHBondContact O-N 2.98Å; Q575-S579 WeakPolarHBondContact O-CB 3.46Å; Q575-S579 PolarHBondContact O-N 2.88Å; Q575-S579 PolarHBondContact O-OG 2.75Å
576	D	47.2	Very low	61.5	Low	81 Å²	81	92.4 Å²	92.4	43%	0.433	51%	0.511	S	S	.	.	H	α-helix	trans	-70.5	-32	177.4	-90.6	-18.9	0	0	0	113.1	L572 L578 S579 G580	L572-D576 PolarHBondContact O-N 2.79Å; L572-D576 VanDerWaalsContact O-N 3.12Å; D576-L578 VanDerWaalsContact C-N 3.29Å; D576-S579 WeakPolarHBondContact CA-OG 3.34Å; D576-G580 PolarHBondContact O-N 2.81Å; D576-G580 VanDerWaalsContact O-N 3.12Å
577	E	42.8	Very low	61.8	Low	173 Å²	173	93.8 Å²	93.8	81%	0.808	51%	0.509	S	S	*	.	H	α-helix	trans	-68.4	-28.6	170	-72.1	-170.5	167.5	0	0	112.5	Q573	Q573-E577 PolarHBondContact O-N 3.46Å
578	L	37.6	Very low	62.1	Low	154 Å²	154	93 Å²	93	81%	0.806	50%	0.504	S	S	*	.	H	α-helix	trans	-85.5	-25.9	177.4	-76.3	161.2	0	0	0	113.4	Q574 Q575 D576	Q574-L578 WeakPolarHBondContact O-CD1 3.09Å; Q574-L578 WeakPolarHBondContact O-CG 3.34Å; Q574-L578 PolarHBondContact O-N 2.83Å; Q575-L578 CarbonylContact O-C 3.56Å; Q575-L578 PolarHBondContact O-N 2.98Å; D576-L578 VanDerWaalsContact C-N 3.29Å
579	S	37.3	Very low	62.5	Low	60 Å²	60	91.6 Å²	91.6	42%	0.42	50%	0.5	S	S	.	.	H	α-helix	trans	-97.8	-12.9	-177	71.8	0	0	0	0	114.1	Q575 D576 Q581	Q575-S579 WeakPolarHBondContact O-CB 3.46Å; Q575-S579 PolarHBondContact O-N 2.88Å; Q575-S579 PolarHBondContact O-OG 2.75Å; D576-S579 WeakPolarHBondContact CA-OG 3.34Å; S579-Q581 PolarHBondContact O-N 2.76Å
580	G	38.1	Very low	62.8	Low	69 Å²	69	98.2 Å²	98.2	71%	0.711	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	19	178.9	0	0	0	0	0	114.1	D576	D576-G580 PolarHBondContact O-N 2.81Å; D576-G580 VanDerWaalsContact O-N 3.12Å
581	Q	42.4	Very low	63.6	Low	147 Å²	147	95.5 Å²	95.5	69%	0.687	51%	0.507	S	S	*	.			trans	-100.4	11.5	-166.5	-116.6	174.1	-8.2	0	0	115.1	S579 T583	S579-Q581 PolarHBondContact O-N 2.76Å; Q581-T583 PolarHBondContact O-N 2.92Å
582	A	51.2	Low	64.7	Low	60 Å²	60	93.4 Å²	93.4	50%	0.496	50%	0.497	S	S	.	.			trans	-66.1	105.5	162.1	0	0	0	0	0	107.8	I584	A582-I584 HydrophobicContact CB-CD1 4.41Å; A582-I584 HydrophobicContact CB-CG1 4.02Å; A582-I584 PolarHBondContact O-N 3.46Å
583	T	57.9	Low	66.1	Low	143 Å²	143	94.1 Å²	94.1	88%	0.877	50%	0.499	S	S	*	.			trans	-71.7	64.8	174.1	-3.8	0	0	0	0	108.6	Q581 L585	Q581-T583 PolarHBondContact O-N 2.92Å; T583-L585 PolarHBondContact O-N 2.89Å
584	I	73.6	Confident	67.7	Low	77 Å²	77	95.9 Å²	95.9	40%	0.395	51%	0.511	S	S	.	.			trans	-63.1	120.2	174.9	-60.6	173.3	0	0	0	105.9	A582 D586 I663 K666	A582-I584 HydrophobicContact CB-CD1 4.41Å; A582-I584 HydrophobicContact CB-CG1 4.02Å; A582-I584 PolarHBondContact O-N 3.46Å; I584-D586 PolarHBondContact O-N 3.19Å; I584-D586 VanDerWaalsContact O-N 3.15Å; I584-I663 HydrophobicContact CG2-CG2 4.11Å; I584-K666 HydrophobicContact CG2-CB 3.99Å
585	L	80.4	Confident	69.8	Low	123 Å²	123	90.7 Å²	90.7	64%	0.644	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.7	120	174	-81.8	152.2	0	0	0	108.1	T583 L665 K666	T583-L585 PolarHBondContact O-N 2.89Å; L585-L665 HydrophobicContact CB-CD1 3.8Å; L585-L665 WeakPolarHBondContact O-CD1 3.45Å; L585-K666 PolarHBondContact O-N 3.46Å
586	D	87.9	Confident	72	Confident	88 Å²	88	88.3 Å²	88.3	47%	0.471	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	128.8	177.1	-153	-6.5	0	0	0	109.3	I584 K666 H668	I584-D586 PolarHBondContact O-N 3.19Å; I584-D586 VanDerWaalsContact O-N 3.15Å; D586-K666 WeakPolarHBondContact CA-O 3.36Å; D586-K666 IonicContact OD2-NZ 3.97Å; D586-H668 IonicContact OD1-CD2 3.21Å; D586-H668 PolarHBondContact OD1-CD2 2.03Å; D586-H668 IonicContact OD1-NE2 2.76Å; D586-H668 PolarHBondContact OD1-NE2 3.42Å; D586-H668 IonicContact OD2-CD2 2.7Å; D586-H668 IonicContact OD2-CE1 2.95Å; D586-H668 IonicContact OD2-NE2 3.84Å; D586-H668 PolarHBondContact OD2-NE2 3.01Å
587	R	91.2	Very high	74.2	Confident	126 Å²	126	85.3 Å²	85.3	48%	0.475	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	128.8	-174.5	-168.4	175.6	-175.8	-179.5	0.7	110.2	V589 E600 L665 K666 V667 H668	R587-V589 HydrophobicContact CG-CG2 4.42Å; R587-E600 IonicContact NH1-OE2 3.81Å; R587-E600 PolarHBondContact NH1-OE2 2.88Å; R587-L665 HydrophobicContact CB-CD1 4.29Å; R587-K666 PolarHBondContact N-O 2.89Å; R587-V667 CarbonylContact O-C 3.52Å; R587-V667 WeakPolarHBondContact O-CA 3.31Å; R587-H668 PolarHBondContact O-N 2.7Å
588	T	92.8	Very high	76.7	Confident	69 Å²	69	80.8 Å²	80.8	42%	0.423	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	131.7	171.1	-51.4	0	0	0	0	109.8	Y590 H668	T588-Y590 HydrophobicContact CG2-CE1 4.42Å; T588-Y590 HydrophobicContact CG2-CE2 3.84Å; T588-H668 CarbonylContact C-O 3.52Å; T588-H668 WeakPolarHBondContact CA-O 3.36Å; T588-H668 HydrophobicContact CG2-CB 4.34Å
589	V	93.8	Very high	79.4	Confident	28 Å²	28	73.5 Å²	73.5	17%	0.17	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	132.3	177.2	177	0	0	0	0	108	R587 L599 V667 H668 L669 E670	R587-V589 HydrophobicContact CG-CG2 4.42Å; V589-L599 HydrophobicContact CB-CD2 4.37Å; V589-L599 HydrophobicContact CG1-CD2 4.14Å; V589-L599 HydrophobicContact CG2-CD2 4.5Å; V589-V667 HydrophobicContact CB-CG1 4.14Å; V589-V667 HydrophobicContact CG2-CG1 3.71Å; V589-H668 PolarHBondContact N-O 3.42Å; V589-L669 HydrophobicContact CB-CD1 4.39Å; V589-L669 HydrophobicContact CG1-CD1 4.17Å; V589-L669 WeakPolarHBondContact O-CA 3.34Å; V589-E670 PolarHBondContact O-N 3.11Å
590	Y	92	Very high	82	Confident	142 Å²	142	75.5 Å²	75.5	56%	0.557	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	133.1	175.7	-62.6	-86.6	0	0	0	109.1	T588 E670 I672	T588-Y590 HydrophobicContact CG2-CE1 4.42Å; T588-Y590 HydrophobicContact CG2-CE2 3.84Å; Y590-E670 WeakPolarHBondContact CA-O 3.11Å; Y590-E670 HydrophobicContact CD1-CB 3.86Å; Y590-E670 HydrophobicContact CE1-CB 4.01Å; Y590-E670 HydrophobicContact CE1-CG 4.42Å; Y590-E670 WeakPolarHBondContact CE1-OE2 3.39Å; Y590-I672 HydrophobicContact CD1-CD1 4.17Å
591	G	91.2	Very high	84.5	Confident	4 Å²	4	72.5 Å²	72.5	4%	0.041	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	154.1	173.4	0	0	0	0	0	110.3	E670 V671 I672	G591-E670 PolarHBondContact N-O 2.88Å; G591-V671 CarbonylContact O-C 3.5Å; G591-V671 WeakPolarHBondContact O-CA 3.39Å; G591-I672 PolarHBondContact O-N 2.9Å
592	V	90.6	Very high	86.8	Confident	33 Å²	33	69.4 Å²	69.4	20%	0.2	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	141	174.8	-175.5	0	0	0	0	108.6	S595 L677	V592-S595 PolarHBondContact N-OG 3.13Å; V592-S595 VanDerWaalsContact O-CB 3.3Å; V592-S595 WeakPolarHBondContact O-CB 3.15Å; V592-S595 PolarHBondContact O-N 3.16Å; V592-S595 PolarHBondContact O-OG 2.86Å; V592-L677 HydrophobicContact CG1-CD2 3.9Å; V592-L677 HydrophobicContact CG2-CD2 3.76Å
593	E	91	Very high	88.5	Confident	49 Å²	49	67.2 Å²	67.2	23%	0.229	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	141.7	174.7	-169.9	164.2	-139.9	0	0	111.3	S595 V671 I672	E593-S595 PolarHBondContact O-N 2.76Å; E593-S595 VanDerWaalsContact O-N 3.11Å; E593-V671 HydrophobicContact CB-CG1 4.23Å; E593-I672 PolarHBondContact N-O 2.74Å
594	N	88.7	Confident	89.9	Confident	119 Å²	119	66.6 Å²	66.6	64%	0.636	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	1.6	-173.5	-55	-49.5	0	0	0	116.3	L643	N594-L643 PolarHBondContact N-O 3.48Å
595	S	91.2	Very high	90.6	Very high	31 Å²	31	63.3 Å²	63.3	22%	0.217	32%	0.323	C	S	.	.	S	Bend	trans	-91	168.5	170.6	78.4	0	0	0	0	111.8	V592 E593 L643	V592-S595 PolarHBondContact N-OG 3.13Å; V592-S595 VanDerWaalsContact O-CB 3.3Å; V592-S595 WeakPolarHBondContact O-CB 3.15Å; V592-S595 PolarHBondContact O-N 3.16Å; V592-S595 PolarHBondContact O-OG 2.86Å; E593-S595 PolarHBondContact O-N 2.76Å; E593-S595 VanDerWaalsContact O-N 3.11Å; S595-L643 WeakPolarHBondContact O-CB 3.49Å; S595-L643 PolarHBondContact O-N 3.39Å
596	S	92.6	Very high	91.1	Very high	79 Å²	79	61.4 Å²	61.4	55%	0.552	31%	0.311	S	S	*	.			trans	-97	141.8	170.1	61.8	0	0	0	0	111.1	I640 R641	S596-I640 CarbonylContact C-O 3.57Å; S596-I640 VanDerWaalsContact CA-O 3.26Å; S596-I640 WeakPolarHBondContact CA-O 3.05Å; S596-R641 WeakPolarHBondContact CB-O 3.29Å
597	T	94.1	Very high	91.2	Very high	18 Å²	18	58.4 Å²	58.4	11%	0.11	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	151.6	172.3	-156.3	0	0	0	0	112.1	L599 I640 L643 L669	T597-L599 HydrophobicContact CG2-CD2 4.03Å; T597-I640 HydrophobicContact CG2-CB 4.16Å; T597-I640 HydrophobicContact CG2-CD1 3.99Å; T597-I640 HydrophobicContact CG2-CG1 4.25Å; T597-I640 PolarHBondContact N-O 2.84Å; T597-I640 PolarHBondContact O-N 2.76Å; T597-L643 HydrophobicContact CG2-CD1 3.94Å; T597-L643 HydrophobicContact CG2-CD2 3.85Å; T597-L643 HydrophobicContact CG2-CG 4.17Å; T597-L669 HydrophobicContact CG2-CD1 4.16Å; T597-L669 HydrophobicContact CG2-CD2 4.39Å
598	F	94.4	Very high	91.1	Very high	78 Å²	78	52.9 Å²	52.9	34%	0.342	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	117.5	179	-176.7	-109.4	0	0	0	110.1	E600 T634 Q636 L639	F598-E600 HydrophobicContact CD1-CB 4.25Å; F598-E600 HydrophobicContact CE1-CB 3.96Å; F598-E600 HydrophobicContact CE1-CG 4.34Å; F598-E600 PolarHBondContact O-N 2.92Å; F598-T634 HydrophobicContact CE2-CG2 4.44Å; F598-Q636 HydrophobicContact CE1-CB 4.34Å; F598-Q636 HydrophobicContact CZ-CB 3.78Å; F598-L639 HydrophobicContact CB-CD1 4.33Å; F598-L639 HydrophobicContact CD2-CB 3.92Å; F598-L639 HydrophobicContact CD2-CD1 4.36Å; F598-L639 HydrophobicContact CE2-CB 4.46Å
599	L	94.1	Very high	90.9	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	96.4	176.2	-48	-172.8	0	0	0	108.2	V589 T597 C601 W612 G637 L638 I640 Y651 V667 L669	V589-L599 HydrophobicContact CB-CD2 4.37Å; V589-L599 HydrophobicContact CG1-CD2 4.14Å; V589-L599 HydrophobicContact CG2-CD2 4.5Å; T597-L599 HydrophobicContact CG2-CD2 4.03Å; L599-C601 PolarHBondContact O-N 3.1Å; L599-W612 HydrophobicContact CB-CH2 3.73Å; L599-W612 HydrophobicContact CB-CZ2 4.33Å; L599-W612 HydrophobicContact CB-CZ3 4.26Å; L599-W612 HydrophobicContact CD1-CZ3 4.36Å; L599-W612 WeakPolarHBondContact O-CZ2 3.3Å; L599-G637 CarbonylContact O-C 3.4Å; L599-G637 VanDerWaalsContact O-CA 3.22Å; L599-G637 WeakPolarHBondContact O-CA 3.01Å; L599-L638 HydrophobicContact CB-CB 4.36Å; L599-L638 HydrophobicContact CD1-CD2 4.4Å; L599-L638 PolarHBondContact N-O 2.93Å; L599-L638 PolarHBondContact O-N 3.18Å; L599-I640 HydrophobicContact CD1-CD1 4.23Å; L599-I640 HydrophobicContact CG-CD1 4.48Å; L599-Y651 HydrophobicContact CD1-CD1 3.63Å; L599-Y651 HydrophobicContact CD1-CD2 3.95Å; L599-Y651 HydrophobicContact CD1-CE1 4.18Å; L599-Y651 HydrophobicContact CD1-CE2 4.49Å; L599-Y651 HydrophobicContact CD1-CG 3.51Å; L599-V667 HydrophobicContact CD1-CG1 4.49Å; L599-V667 HydrophobicContact CD2-CG1 4.15Å; L599-L669 HydrophobicContact CD2-CD1 4.46Å
600	E	93	Very high	90.8	Very high	102 Å²	102	53.2 Å²	53.2	48%	0.477	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	127.4	-179.7	-174.7	-178.3	-160.2	0	0	111.1	R587 F598 L665	R587-E600 IonicContact NH1-OE2 3.81Å; R587-E600 PolarHBondContact NH1-OE2 2.88Å; F598-E600 HydrophobicContact CD1-CB 4.25Å; F598-E600 HydrophobicContact CE1-CB 3.96Å; F598-E600 HydrophobicContact CE1-CG 4.34Å; F598-E600 PolarHBondContact O-N 2.92Å; E600-L665 WeakPolarHBondContact O-CD2 3.37Å
601	C	91.5	Very high	90.6	Very high	6 Å²	6	48.9 Å²	48.9	4%	0.041	26%	0.26	C	S	.	.			trans	-150.7	109	172.2	179.1	0	0	0	0	109.6	L599 W612 Q636 C653 V664 L665	L599-C601 PolarHBondContact O-N 3.1Å; C601-W612 HydrophobicContact CB-CH2 3.75Å; C601-W612 HydrophobicContact CB-CZ2 3.33Å; C601-Q636 CarbonylContact C-O 3.56Å; C601-Q636 PolarHBondContact N-O 3.13Å; C601-Q636 CarbonylContact O-C 3.58Å; C601-C653 HydrophobicContact CB-CB 3.7Å; C601-C653 WeakPolarHBondContact CB-SG 3.41Å; C601-C653 WeakPolarHBondContact SG-CB 3.36Å; C601-C653 CovalentContact SG-SG 2.02Å; C601-C653 PolarHBondContact SG-SG 2.54Å; C601-V664 WeakPolarHBondContact SG-CG2 3.28Å; C601-L665 HydrophobicContact CB-CD2 4.17Å
602	V	89	Confident	90.6	Very high	82 Å²	82	48.7 Å²	48.7	50%	0.497	26%	0.258	S	S	.	.			trans	-119.9	112.3	178.6	-174.2	0	0	0	0	108.4
603	P	88.3	Confident	90.7	Very high	14 Å²	14	49 Å²	49	9%	0.091	26%	0.257	C	S	.	.			trans	-66.7	148.7	174.1	28.5	-32.5	0	0	0	109.8	S605 A608 T610 A655	P603-S605 VanDerWaalsContact C-N 3.28Å; P603-S605 PolarHBondContact O-N 2.93Å; P603-A608 HydrophobicContact CB-CB 4Å; P603-A608 HydrophobicContact CG-CB 3.98Å; P603-T610 HydrophobicContact CG-CG2 3.96Å; P603-A655 HydrophobicContact CB-CB 3.95Å
604	K	86.1	Confident	90.7	Very high	130 Å²	130	48.1 Å²	48.1	57%	0.565	25%	0.252	S	S	*	.	S	Bend	trans	-58.3	-42.6	175.4	-70	-177.1	178.7	177.3	0	111.7	L34 Q606	L34-K604 HydrophobicContact CD2-CB 4.22Å; L34-K604 WeakPolarHBondContact CD2-O 3.34Å; K604-Q606 PolarHBondContact O-N 2.9Å
605	S	89.8	Confident	90.7	Very high	7 Å²	7	43.8 Å²	43.8	5%	0.049	23%	0.228	C	C	.	.			trans	-75.3	121	176.6	177.9	0	0	0	0	110.9	R33 P603 R607 A608 E657	R33-S605 WeakPolarHBondContact CG-OG 3.49Å; R33-S605 CarbonylContact O-C 3.53Å; R33-S605 VanDerWaalsContact O-CA 3.26Å; R33-S605 WeakPolarHBondContact O-CA 3.31Å; P603-S605 VanDerWaalsContact C-N 3.28Å; P603-S605 PolarHBondContact O-N 2.93Å; S605-R607 PolarHBondContact O-N 2.58Å; S605-R607 PolarHBondContact OG-N 2.91Å; S605-A608 WeakPolarHBondContact O-CB 3.46Å; S605-A608 PolarHBondContact O-N 2.95Å; S605-A608 PolarHBondContact OG-N 2.93Å; S605-E657 WeakPolarHBondContact CB-OE2 3.37Å; S605-E657 VanDerWaalsContact OG-CD 3.23Å; S605-E657 PolarHBondContact OG-OE1 2.89Å; S605-E657 PolarHBondContact OG-OE2 2.93Å
606	Q	90.3	Very high	90.3	Very high	83 Å²	83	49 Å²	49	39%	0.388	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-9.6	173.5	-53.9	-64.8	-57.4	0	0	112.8	V31 P32 R33 K604	V31-Q606 HydrophobicContact CG1-CB 3.8Å; P32-Q606 WeakPolarHBondContact O-CB 3.22Å; R33-Q606 PolarHBondContact O-N 3.24Å; K604-Q606 PolarHBondContact O-N 2.9Å
607	R	89.3	Confident	89.3	Confident	25 Å²	25	50.4 Å²	50.4	9%	0.094	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-18.2	174	-63.3	176.6	174.3	179.4	-7.2	112.3	N29 V31 L478 S605	N29-R607 PolarHBondContact O-NH2 3.44Å; N29-R607 VanDerWaalsContact O-NH2 3.08Å; V31-R607 PolarHBondContact O-NE 2.89Å; V31-R607 PolarHBondContact O-NH2 2.86Å; L478-R607 PolarHBondContact O-NH2 3.3Å; S605-R607 PolarHBondContact O-N 2.58Å; S605-R607 PolarHBondContact OG-N 2.91Å
608	A	89.5	Confident	88	Confident	11 Å²	11	54.3 Å²	54.3	9%	0.091	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-74.6	142.2	179.3	0	0	0	0	0	111	P603 S605 A655 V656 E657	P603-A608 HydrophobicContact CB-CB 4Å; P603-A608 HydrophobicContact CG-CB 3.98Å; S605-A608 WeakPolarHBondContact O-CB 3.46Å; S605-A608 PolarHBondContact O-N 2.95Å; S605-A608 PolarHBondContact OG-N 2.93Å; A608-A655 HydrophobicContact CB-CB 4.19Å; A608-V656 VanDerWaalsContact CA-O 3.29Å; A608-V656 WeakPolarHBondContact CA-O 3.48Å; A608-E657 HydrophobicContact CB-CB 4.18Å
609	T	89.5	Confident	86.9	Confident	74 Å²	74	54.5 Å²	54.5	45%	0.454	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	142.3	169.2	51.9	0	0	0	0	110	V656	T609-V656 PolarHBondContact N-O 2.91Å; T609-V656 PolarHBondContact O-N 2.94Å
610	T	89.9	Confident	85.7	Confident	29 Å²	29	61.2 Å²	61.2	18%	0.178	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	141	177.9	52.2	0	0	0	0	111.7	P603 Q654	P603-T610 HydrophobicContact CG-CG2 3.96Å; T610-Q654 CarbonylContact C-O 3.56Å; T610-Q654 WeakPolarHBondContact CA-O 3.38Å
611	Y	89.3	Confident	85	Confident	52 Å²	52	62.1 Å²	62.1	20%	0.204	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	136.6	177.9	-179.1	-92.7	0	0	0	108.8	Q613 E624 Q654	Y611-Q613 HydrophobicContact CD1-CG 4.09Å; Y611-Q613 HydrophobicContact CE1-CG 3.55Å; Y611-E624 HydrophobicContact CE1-CG 4.42Å; Y611-E624 HydrophobicContact CE2-CG 3.79Å; Y611-E624 WeakPolarHBondContact CE2-OE1 3.34Å; Y611-E624 VanDerWaalsContact CZ-CD 3.5Å; Y611-E624 WeakPolarHBondContact OH-CB 3.4Å; Y611-E624 WeakPolarHBondContact OH-CG 3.27Å; Y611-E624 PolarHBondContact OH-OE2 3.09Å; Y611-Q654 HydrophobicContact CD1-CB 4.45Å; Y611-Q654 VanDerWaalsContact CD1-OE1 3.26Å; Y611-Q654 PolarHBondContact N-O 2.89Å; Y611-Q654 PolarHBondContact O-N 3.15Å
612	W	91.6	Very high	84.5	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.1	-173.4	-73.8	91.9	0	0	0	112	L599 C601 I625 L638 L652 C653 V667	L599-W612 HydrophobicContact CB-CH2 3.73Å; L599-W612 HydrophobicContact CB-CZ2 4.33Å; L599-W612 HydrophobicContact CB-CZ3 4.26Å; L599-W612 HydrophobicContact CD1-CZ3 4.36Å; L599-W612 WeakPolarHBondContact O-CZ2 3.3Å; C601-W612 HydrophobicContact CB-CH2 3.75Å; C601-W612 HydrophobicContact CB-CZ2 3.33Å; W612-I625 HydrophobicContact CB-CB 4.37Å; W612-I625 HydrophobicContact CB-CD1 4.03Å; W612-I625 HydrophobicContact CB-CG1 4.47Å; W612-I625 PolarHBondContact O-N 3.13Å; W612-L638 HydrophobicContact CB-CD2 4.47Å; W612-L638 HydrophobicContact CD2-CB 3.98Å; W612-L638 HydrophobicContact CD2-CD2 4.18Å; W612-L638 HydrophobicContact CE3-CD2 4.37Å; W612-L638 HydrophobicContact CG-CB 4.28Å; W612-L638 HydrophobicContact CG-CD2 4.26Å; W612-L638 HydrophobicContact CH2-CB 4.48Å; W612-L638 HydrophobicContact CZ2-CB 3.87Å; W612-L652 WeakPolarHBondContact CA-O 3.47Å; W612-C653 HydrophobicContact CD2-CB 4.12Å; W612-C653 HydrophobicContact CE3-CB 3.95Å; W612-C653 HydrophobicContact CH2-CB 3.75Å; W612-C653 HydrophobicContact CZ2-CB 3.92Å; W612-C653 HydrophobicContact CZ3-CB 3.75Å; W612-V667 HydrophobicContact CZ3-CG2 4.45Å
613	Q	91.9	Very high	84.3	Confident	38 Å²	38	67.8 Å²	67.8	18%	0.178	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	143.3	170.3	-61.6	-177.6	-26	0	0	110.1	Y611 Q623 Y651 L652	Y611-Q613 HydrophobicContact CD1-CG 4.09Å; Y611-Q613 HydrophobicContact CE1-CG 3.55Å; Q613-Q623 CarbonylContact C-O 3.55Å; Q613-Q623 WeakPolarHBondContact CA-O 3.23Å; Q613-Y651 CarbonylContact O-C 3.57Å; Q613-Y651 WeakPolarHBondContact O-CA 3.41Å; Q613-L652 HydrophobicContact CB-CB 4.31Å; Q613-L652 PolarHBondContact N-O 3.12Å; Q613-L652 PolarHBondContact O-N 2.89Å
614	Y	90.6	Very high	84.1	Confident	32 Å²	32	71.4 Å²	71.4	13%	0.125	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	135.5	173.5	169.5	-110.7	0	0	0	109.7	R616 Q623 K646 S648 I650 Y651	Y614-R616 HydrophobicContact CE1-CB 4.08Å; Y614-R616 WeakPolarHBondContact OH-CG 3.45Å; Y614-Q623 PolarHBondContact N-O 3.14Å; Y614-Q623 PolarHBondContact O-N 2.99Å; Y614-K646 PolarHBondContact OH-O 3.27Å; Y614-S648 PolarHBondContact OH-O 3.34Å; Y614-I650 CarbonylContact C-O 3.56Å; Y614-Y651 HydrophobicContact CD2-CD1 4.26Å; Y614-Y651 HydrophobicContact CD2-CD2 4.06Å; Y614-Y651 AromaticContact CD2-CE1 3.83Å; Y614-Y651 HydrophobicContact CD2-CE1 3.83Å; Y614-Y651 AromaticContact CD2-CE2 3.58Å; Y614-Y651 HydrophobicContact CD2-CE2 3.58Å; Y614-Y651 HydrophobicContact CD2-CG 4.35Å; Y614-Y651 AromaticContact CD2-CZ 3.46Å; Y614-Y651 VanDerWaalsContact CD2-CZ 3.46Å; Y614-Y651 AromaticContact CE2-CE2 3.76Å; Y614-Y651 HydrophobicContact CE2-CE2 3.76Å; Y614-Y651 AromaticContact CE2-CZ 3.82Å; Y614-Y651 HydrophobicContact CG-CE1 4.42Å
615	Q	88.5	Confident	84.1	Confident	28 Å²	28	65.7 Å²	65.7	13%	0.131	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	120.7	173.4	-179.8	174.8	10.2	0	0	108.6	D619 D620 K622 I650	Q615-D619 WeakPolarHBondContact CG-O 3.47Å; Q615-D619 PolarHBondContact NE2-O 3.18Å; Q615-D620 PolarHBondContact NE2-OD1 3.11Å; Q615-K622 HydrophobicContact CB-CG 4.32Å; Q615-I650 HydrophobicContact CB-CB 4.27Å; Q615-I650 PolarHBondContact N-O 3.48Å; Q615-I650 PolarHBondContact O-N 3.19Å
616	R	83.3	Confident	83.7	Confident	139 Å²	139	71.9 Å²	71.9	53%	0.525	37%	0.368	S	S	.	.			trans	-74.7	139.5	177.4	-168	170	-174.1	-175.3	0.4	109.5	Y614 A618 D619	Y614-R616 HydrophobicContact CE1-CB 4.08Å; Y614-R616 WeakPolarHBondContact OH-CG 3.45Å; R616-A618 PolarHBondContact O-N 2.83Å; R616-D619 HydrophobicContact CB-CB 4.35Å; R616-D619 PolarHBondContact O-N 2.81Å
617	S	71.2	Confident	82.9	Confident	109 Å²	109	71.7 Å²	71.7	76%	0.762	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-13.9	-174.4	-171.3	0	0	0	0	115.7
618	A	67.1	Low	82.4	Confident	101 Å²	101	76.3 Å²	76.3	84%	0.835	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.2	-0.1	-179.8	0	0	0	0	0	113.7	R616	R616-A618 PolarHBondContact O-N 2.83Å
619	D	71.3	Confident	81.6	Confident	82 Å²	82	84.1 Å²	84.1	44%	0.439	43%	0.433	S	S	.	.			trans	-130	138.9	-175	-166.4	-4.5	0	0	0	110	Q615 R616 H621	Q615-D619 WeakPolarHBondContact CG-O 3.47Å; Q615-D619 PolarHBondContact NE2-O 3.18Å; R616-D619 HydrophobicContact CB-CB 4.35Å; R616-D619 PolarHBondContact O-N 2.81Å; D619-H621 VanDerWaalsContact C-N 3.26Å; D619-H621 WeakPolarHBondContact OD1-CB 3.32Å; D619-H621 PolarHBondContact OD1-N 2.91Å
620	D	69.3	Low	81.6	Confident	142 Å²	142	83.2 Å²	83.2	76%	0.759	42%	0.421	S	S	*	.			trans	-85	-7.2	175.9	-138.3	13.5	0	0	0	111.7	Q615 K622	Q615-D620 PolarHBondContact NE2-OD1 3.11Å; D620-K622 PolarHBondContact O-N 3.42Å
621	H	77.8	Confident	81.6	Confident	120 Å²	120	83 Å²	83	56%	0.556	42%	0.418	S	S	*	.			trans	-76.1	114.7	178.9	-157.9	-58.9	0	0	0	112.1	D619	D619-H621 VanDerWaalsContact C-N 3.26Å; D619-H621 WeakPolarHBondContact OD1-CB 3.32Å; D619-H621 PolarHBondContact OD1-N 2.91Å
622	K	81.4	Confident	81.6	Confident	98 Å²	98	82.4 Å²	82.4	43%	0.426	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	132.1	170.7	-60.7	177.4	-175.9	175.3	0	109.9	Q615 D620 L652	Q615-K622 HydrophobicContact CB-CG 4.32Å; D620-K622 PolarHBondContact O-N 3.42Å; K622-L652 HydrophobicContact CD-CD1 4.02Å
623	Q	84.5	Confident	81.4	Confident	110 Å²	110	86.2 Å²	86.2	51%	0.514	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	139.8	179.1	-63.3	-178.1	14.5	0	0	110.6	Q613 Y614	Q613-Q623 CarbonylContact C-O 3.55Å; Q613-Q623 WeakPolarHBondContact CA-O 3.23Å; Y614-Q623 PolarHBondContact N-O 3.14Å; Y614-Q623 PolarHBondContact O-N 2.99Å
624	E	84.4	Confident	81.1	Confident	90 Å²	90	86.6 Å²	86.6	42%	0.421	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	130.7	172.5	-178	-178.1	176.8	0	0	110.5	Y611 K626 R633	Y611-E624 HydrophobicContact CE1-CG 4.42Å; Y611-E624 HydrophobicContact CE2-CG 3.79Å; Y611-E624 WeakPolarHBondContact CE2-OE1 3.34Å; Y611-E624 VanDerWaalsContact CZ-CD 3.5Å; Y611-E624 WeakPolarHBondContact OH-CB 3.4Å; Y611-E624 WeakPolarHBondContact OH-CG 3.27Å; Y611-E624 PolarHBondContact OH-OE2 3.09Å; E624-K626 PolarHBondContact O-N 2.93Å; E624-R633 IonicContact OE1-CZ 2.69Å; E624-R633 IonicContact OE1-NH2 3.45Å; E624-R633 PolarHBondContact OE1-NH2 2.97Å
625	I	85	Confident	80.8	Confident	10 Å²	10	92.4 Å²	92.4	5%	0.051	47%	0.467	C	S	.	.			trans	-83.1	95.7	175	-55.2	179.6	0	0	0	109.3	W612 F631 R633 L638 Y651	W612-I625 HydrophobicContact CB-CB 4.37Å; W612-I625 HydrophobicContact CB-CD1 4.03Å; W612-I625 HydrophobicContact CB-CG1 4.47Å; W612-I625 PolarHBondContact O-N 3.13Å; I625-F631 HydrophobicContact CG2-CB 3.94Å; I625-F631 HydrophobicContact CG2-CD1 3.82Å; I625-F631 HydrophobicContact CG2-CD2 4.11Å; I625-F631 HydrophobicContact CG2-CE1 4.27Å; I625-F631 HydrophobicContact CG2-CG 3.71Å; I625-R633 PolarHBondContact O-NE 2.86Å; I625-R633 VanDerWaalsContact O-NE 3.1Å; I625-R633 PolarHBondContact O-NH2 3Å; I625-L638 HydrophobicContact CD1-CD2 3.62Å; I625-L638 HydrophobicContact CG2-CD1 4.4Å; I625-L638 HydrophobicContact CG2-CD2 4.38Å; I625-Y651 HydrophobicContact CD1-CD1 3.44Å; I625-Y651 VanDerWaalsContact CD1-CD1 3.44Å; I625-Y651 HydrophobicContact CD1-CE1 3.59Å
626	K	81.5	Confident	80.7	Confident	136 Å²	136	97.2 Å²	97.2	59%	0.591	49%	0.489	S	S	*	.			trans	-65.3	145.4	175.2	-65.3	-177.1	-178.8	179.3	0	110.8	E624 E628	E624-K626 PolarHBondContact O-N 2.93Å; K626-E628 HydrophobicContact CB-CG 4.44Å; K626-E628 PolarHBondContact O-N 3.17Å
627	S	74.8	Confident	81.1	Confident	79 Å²	79	90.6 Å²	90.6	55%	0.552	46%	0.464	S	S	*	.			trans	-72.4	113.6	175	-159.4	0	0	0	0	108.6	F631	S627-F631 PolarHBondContact OG-O 3.16Å
628	E	78.6	Confident	82.1	Confident	123 Å²	123	85.4 Å²	85.4	58%	0.575	43%	0.428	S	S	*	.			trans	-133	176.6	-177.5	-68.8	-175.6	-178.9	0	0	109.6	K626 R630 F631	K626-E628 HydrophobicContact CB-CG 4.44Å; K626-E628 PolarHBondContact O-N 3.17Å; E628-R630 PolarHBondContact O-N 3.38Å; E628-F631 PolarHBondContact N-O 2.96Å; E628-F631 VanDerWaalsContact N-O 3.14Å; E628-F631 CarbonylContact O-C 3.42Å; E628-F631 PolarHBondContact O-N 2.88Å
629	E	72.9	Confident	83.4	Confident	175 Å²	175	83.1 Å²	83.1	82%	0.818	40%	0.402	S	S	*	.	S	Bend	trans	-55	-30.2	179.9	-74.6	-168.6	161.7	0	0	113.4	R641	E629-R641 VanDerWaalsContact O-CD 3.22Å; E629-R641 WeakPolarHBondContact O-CD 3.31Å; E629-R641 PolarHBondContact O-NE 2.66Å; E629-R641 PolarHBondContact O-NH1 3.23Å
630	R	88	Confident	84.4	Confident	55 Å²	55	79.2 Å²	79.2	21%	0.208	38%	0.381	C	S	.	.	S	Bend	trans	-86.8	-33.8	-179.5	-165.9	176.2	77.7	98.6	-15.1	113.8	E628 R641 T642 D647	E628-R630 PolarHBondContact O-N 3.38Å; R630-R641 PolarHBondContact O-N 3.37Å; R630-T642 PolarHBondContact NH1-O 3.14Å; R630-D647 IonicContact CZ-OD1 3.43Å; R630-D647 IonicContact CZ-OD2 3.6Å; R630-D647 VanDerWaalsContact NH1-CG 3.27Å; R630-D647 IonicContact NH1-OD1 3.24Å; R630-D647 PolarHBondContact NH1-OD1 3.38Å; R630-D647 IonicContact NH1-OD2 2.66Å; R630-D647 PolarHBondContact NH1-OD2 3.03Å; R630-D647 IonicContact NH2-OD1 2.73Å; R630-D647 PolarHBondContact NH2-OD1 2.71Å; R630-D647 IonicContact NH2-OD2 3.69Å
631	F	90.4	Very high	85.5	Confident	25 Å²	25	78.8 Å²	78.8	11%	0.11	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	107.1	-177.4	-69.6	-75.2	0	0	0	110.5	I625 S627 E628 L638 I640	I625-F631 HydrophobicContact CG2-CB 3.94Å; I625-F631 HydrophobicContact CG2-CD1 3.82Å; I625-F631 HydrophobicContact CG2-CD2 4.11Å; I625-F631 HydrophobicContact CG2-CE1 4.27Å; I625-F631 HydrophobicContact CG2-CG 3.71Å; S627-F631 PolarHBondContact OG-O 3.16Å; E628-F631 PolarHBondContact N-O 2.96Å; E628-F631 VanDerWaalsContact N-O 3.14Å; E628-F631 CarbonylContact O-C 3.42Å; E628-F631 PolarHBondContact O-N 2.88Å; F631-L638 HydrophobicContact CB-CD1 4.39Å; F631-L638 HydrophobicContact CD1-CD1 4.43Å; F631-L638 HydrophobicContact CD1-CD2 4.38Å; F631-I640 HydrophobicContact CD1-CB 4.45Å; F631-I640 HydrophobicContact CD1-CG1 3.9Å; F631-I640 HydrophobicContact CD1-CG2 4.25Å; F631-I640 HydrophobicContact CE1-CB 4.42Å; F631-I640 HydrophobicContact CE1-CD1 3.98Å; F631-I640 HydrophobicContact CE1-CG1 3.82Å; F631-I640 HydrophobicContact CE1-CG2 3.92Å
632	V	89.3	Confident	86.2	Confident	38 Å²	38	76 Å²	76	23%	0.23	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	111.8	-179.5	-176.5	0	0	0	0	109.2	T634 L639 R641	V632-T634 HydrophobicContact CG1-CG2 4.33Å; V632-L639 HydrophobicContact CB-CB 4.21Å; V632-L639 HydrophobicContact CB-CD2 4.45Å; V632-L639 PolarHBondContact N-O 3.43Å; V632-L639 PolarHBondContact O-N 3.09Å; V632-R641 HydrophobicContact CG2-CG 4.37Å
633	R	88.1	Confident	86.7	Confident	80 Å²	80	71.3 Å²	71.3	30%	0.302	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	129.7	171.7	-62.4	-179.5	-179.1	-179.5	-2.2	109	E624 I625 L638	E624-R633 IonicContact OE1-CZ 2.69Å; E624-R633 IonicContact OE1-NH2 3.45Å; E624-R633 PolarHBondContact OE1-NH2 2.97Å; I625-R633 PolarHBondContact O-NE 2.86Å; I625-R633 VanDerWaalsContact O-NE 3.1Å; I625-R633 PolarHBondContact O-NH2 3Å; R633-L638 HydrophobicContact CG-CD1 4.13Å
634	T	86.1	Confident	87	Confident	47 Å²	47	68.3 Å²	68.3	29%	0.288	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	166.2	174.7	76.8	0	0	0	0	110.1	F598 V632 Q636 G637	F598-T634 HydrophobicContact CE2-CG2 4.44Å; V632-T634 HydrophobicContact CG1-CG2 4.33Å; T634-Q636 PolarHBondContact O-N 2.95Å; T634-Q636 PolarHBondContact OG1-N 2.92Å; T634-G637 PolarHBondContact N-O 2.66Å; T634-G637 PolarHBondContact O-N 3.42Å; T634-G637 VanDerWaalsContact O-O 3.13Å; T634-G637 PolarHBondContact OG1-N 3.02Å; T634-G637 PolarHBondContact OG1-O 3.47Å
635	E	82.4	Confident	87.1	Confident	153 Å²	153	69.5 Å²	69.5	72%	0.715	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.4	173.7	-63.7	-162.1	138.2	0	0	112.8	K28	K28-E635 IonicContact NZ-OE1 3.97Å; K28-E635 PolarHBondContact NZ-OE1 3.06Å
636	Q	87.6	Confident	87.3	Confident	129 Å²	129	74.5 Å²	74.5	60%	0.603	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-11.1	-177.3	-67.6	162.5	-14.7	0	0	113.2	F598 C601 T634	F598-Q636 HydrophobicContact CE1-CB 4.34Å; F598-Q636 HydrophobicContact CZ-CB 3.78Å; C601-Q636 CarbonylContact C-O 3.56Å; C601-Q636 PolarHBondContact N-O 3.13Å; C601-Q636 CarbonylContact O-C 3.58Å; T634-Q636 PolarHBondContact O-N 2.95Å; T634-Q636 PolarHBondContact OG1-N 2.92Å
637	G	90.9	Very high	87.7	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.4	-155.1	-174.9	0	0	0	0	0	114.7	L599 T634	L599-G637 CarbonylContact O-C 3.4Å; L599-G637 VanDerWaalsContact O-CA 3.22Å; L599-G637 WeakPolarHBondContact O-CA 3.01Å; T634-G637 PolarHBondContact N-O 2.66Å; T634-G637 PolarHBondContact O-N 3.42Å; T634-G637 VanDerWaalsContact O-O 3.13Å; T634-G637 PolarHBondContact OG1-N 3.02Å; T634-G637 PolarHBondContact OG1-O 3.47Å
638	L	93.1	Very high	88.5	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	119.4	-179.6	-180	68.8	0	0	0	110.6	L599 W612 I625 F631 R633 I640 Y651	L599-L638 HydrophobicContact CB-CB 4.36Å; L599-L638 HydrophobicContact CD1-CD2 4.4Å; L599-L638 PolarHBondContact N-O 2.93Å; L599-L638 PolarHBondContact O-N 3.18Å; W612-L638 HydrophobicContact CB-CD2 4.47Å; W612-L638 HydrophobicContact CD2-CB 3.98Å; W612-L638 HydrophobicContact CD2-CD2 4.18Å; W612-L638 HydrophobicContact CE3-CD2 4.37Å; W612-L638 HydrophobicContact CG-CB 4.28Å; W612-L638 HydrophobicContact CG-CD2 4.26Å; W612-L638 HydrophobicContact CH2-CB 4.48Å; W612-L638 HydrophobicContact CZ2-CB 3.87Å; I625-L638 HydrophobicContact CD1-CD2 3.62Å; I625-L638 HydrophobicContact CG2-CD1 4.4Å; I625-L638 HydrophobicContact CG2-CD2 4.38Å; F631-L638 HydrophobicContact CB-CD1 4.39Å; F631-L638 HydrophobicContact CD1-CD1 4.43Å; F631-L638 HydrophobicContact CD1-CD2 4.38Å; R633-L638 HydrophobicContact CG-CD1 4.13Å; L638-I640 HydrophobicContact CG-CG1 4.48Å; L638-Y651 HydrophobicContact CD2-CD1 4Å; L638-Y651 HydrophobicContact CD2-CE1 4.24Å
639	L	93.3	Very high	89.2	Confident	53 Å²	53	60.8 Å²	60.8	28%	0.277	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	122.8	171.7	177.2	67.8	0	0	0	110.1	F598 V632 R641	F598-L639 HydrophobicContact CB-CD1 4.33Å; F598-L639 HydrophobicContact CD2-CB 3.92Å; F598-L639 HydrophobicContact CD2-CD1 4.36Å; F598-L639 HydrophobicContact CE2-CB 4.46Å; V632-L639 HydrophobicContact CB-CB 4.21Å; V632-L639 HydrophobicContact CB-CD2 4.45Å; V632-L639 PolarHBondContact N-O 3.43Å; V632-L639 PolarHBondContact O-N 3.09Å; L639-R641 HydrophobicContact CD2-CG 4.42Å
640	I	94.1	Very high	90.1	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	109.1	170.5	-47.3	178.7	0	0	0	106.8	S596 T597 L599 F631 L638 T642 L643 Y651 L669	S596-I640 CarbonylContact C-O 3.57Å; S596-I640 VanDerWaalsContact CA-O 3.26Å; S596-I640 WeakPolarHBondContact CA-O 3.05Å; T597-I640 HydrophobicContact CG2-CB 4.16Å; T597-I640 HydrophobicContact CG2-CD1 3.99Å; T597-I640 HydrophobicContact CG2-CG1 4.25Å; T597-I640 PolarHBondContact N-O 2.84Å; T597-I640 PolarHBondContact O-N 2.76Å; L599-I640 HydrophobicContact CD1-CD1 4.23Å; L599-I640 HydrophobicContact CG-CD1 4.48Å; F631-I640 HydrophobicContact CD1-CB 4.45Å; F631-I640 HydrophobicContact CD1-CG1 3.9Å; F631-I640 HydrophobicContact CD1-CG2 4.25Å; F631-I640 HydrophobicContact CE1-CB 4.42Å; F631-I640 HydrophobicContact CE1-CD1 3.98Å; F631-I640 HydrophobicContact CE1-CG1 3.82Å; F631-I640 HydrophobicContact CE1-CG2 3.92Å; L638-I640 HydrophobicContact CG-CG1 4.48Å; I640-T642 PolarHBondContact O-N 3.34Å; I640-L643 HydrophobicContact CB-CD2 4.33Å; I640-L643 HydrophobicContact CD1-CD2 4.2Å; I640-L643 HydrophobicContact CG2-CD2 3.95Å; I640-Y651 HydrophobicContact CD1-CE1 4.02Å; I640-L669 HydrophobicContact CD1-CD2 3.83Å
641	R	91.7	Very high	90.4	Very high	134 Å²	134	51.1 Å²	51.1	51%	0.506	25%	0.246	S	C	.	.	S	Bend	trans	-69.2	-33.3	-173.1	-68.8	-166.9	178.6	162	-12.4	113.4	S596 E629 R630 V632 L639	S596-R641 WeakPolarHBondContact CB-O 3.29Å; E629-R641 VanDerWaalsContact O-CD 3.22Å; E629-R641 WeakPolarHBondContact O-CD 3.31Å; E629-R641 PolarHBondContact O-NE 2.66Å; E629-R641 PolarHBondContact O-NH1 3.23Å; R630-R641 PolarHBondContact O-N 3.37Å; V632-R641 HydrophobicContact CG2-CG 4.37Å; L639-R641 HydrophobicContact CD2-CG 4.42Å
642	T	91.4	Very high	90.5	Very high	61 Å²	61	50.4 Å²	50.4	37%	0.374	24%	0.243	S	C	.	.	S	Bend	trans	-143.4	119.8	-179.1	-45	0	0	0	0	108.4	R630 I640	R630-T642 PolarHBondContact NH1-O 3.14Å; I640-T642 PolarHBondContact O-N 3.34Å
643	L	92.2	Very high	90.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.232	C	C	.	.			trans	-87.1	125.9	178.5	-76.3	174.1	0	0	0	111.5	N594 S595 T597 I640 D647 L669 V671	N594-L643 PolarHBondContact N-O 3.48Å; S595-L643 WeakPolarHBondContact O-CB 3.49Å; S595-L643 PolarHBondContact O-N 3.39Å; T597-L643 HydrophobicContact CG2-CD1 3.94Å; T597-L643 HydrophobicContact CG2-CD2 3.85Å; T597-L643 HydrophobicContact CG2-CG 4.17Å; I640-L643 HydrophobicContact CB-CD2 4.33Å; I640-L643 HydrophobicContact CD1-CD2 4.2Å; I640-L643 HydrophobicContact CG2-CD2 3.95Å; L643-D647 HydrophobicContact CD2-CB 4.28Å; L643-L669 HydrophobicContact CD2-CD2 3.83Å; L643-V671 HydrophobicContact CB-CG1 4.29Å; L643-V671 HydrophobicContact CD2-CG2 4.1Å
644	D	90.9	Very high	90.7	Very high	46 Å²	46	45.6 Å²	45.6	25%	0.246	22%	0.221	C	C	.	.			trans	-104.4	151.4	167.9	-64.6	-28.9	0	0	0	109	K646 D647	D644-K646 HydrophobicContact CB-CD 4.27Å; D644-K646 HydrophobicContact CB-CG 3.74Å; D644-K646 PolarHBondContact O-N 3.14Å; D644-K646 WeakPolarHBondContact OD2-CE 3.32Å; D644-K646 IonicContact OD2-NZ 2.74Å; D644-K646 PolarHBondContact OD2-NZ 3.18Å; D644-D647 PolarHBondContact N-OD2 2.85Å; D644-D647 VanDerWaalsContact O-CB 3.27Å; D644-D647 WeakPolarHBondContact O-CB 3.36Å; D644-D647 PolarHBondContact O-N 2.76Å
645	K	87.6	Confident	90.9	Very high	116 Å²	116	43.6 Å²	43.6	50%	0.504	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-52.1	-32	175.9	-158.6	169.7	-169.9	162.1	0	114.1	D647 S648 D673	K645-D647 PolarHBondContact O-N 2.88Å; K645-S648 PolarHBondContact O-N 2.04Å; K645-S648 PolarHBondContact O-OG 3.44Å; K645-D673 IonicContact NZ-OD2 2.71Å; K645-D673 PolarHBondContact NZ-OD2 2.95Å
646	K	87.4	Confident	91.2	Very high	115 Å²	115	38 Å²	38	50%	0.5	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-66.2	-18.7	177	68	-177.7	-179.7	-149.5	0	113.9	Y614 D644 S648	Y614-K646 PolarHBondContact OH-O 3.27Å; D644-K646 HydrophobicContact CB-CD 4.27Å; D644-K646 HydrophobicContact CB-CG 3.74Å; D644-K646 PolarHBondContact O-N 3.14Å; D644-K646 WeakPolarHBondContact OD2-CE 3.32Å; D644-K646 IonicContact OD2-NZ 2.74Å; D644-K646 PolarHBondContact OD2-NZ 3.18Å; K646-S648 PolarHBondContact O-N 3.16Å
647	D	90.1	Very high	91.3	Very high	6 Å²	6	32.6 Å²	32.6	3%	0.032	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-76.5	-8.7	-178.4	-62.4	-36.7	0	0	0	112.9	R630 L643 D644 K645 G649 Y651 L669 V671	R630-D647 IonicContact CZ-OD1 3.43Å; R630-D647 IonicContact CZ-OD2 3.6Å; R630-D647 VanDerWaalsContact NH1-CG 3.27Å; R630-D647 IonicContact NH1-OD1 3.24Å; R630-D647 PolarHBondContact NH1-OD1 3.38Å; R630-D647 IonicContact NH1-OD2 2.66Å; R630-D647 PolarHBondContact NH1-OD2 3.03Å; R630-D647 IonicContact NH2-OD1 2.73Å; R630-D647 PolarHBondContact NH2-OD1 2.71Å; R630-D647 IonicContact NH2-OD2 3.69Å; L643-D647 HydrophobicContact CD2-CB 4.28Å; D644-D647 PolarHBondContact N-OD2 2.85Å; D644-D647 VanDerWaalsContact O-CB 3.27Å; D644-D647 WeakPolarHBondContact O-CB 3.36Å; D644-D647 PolarHBondContact O-N 2.76Å; K645-D647 PolarHBondContact O-N 2.88Å; D647-G649 PolarHBondContact O-N 3.01Å; D647-Y651 VanDerWaalsContact O-CE2 3.3Å; D647-Y651 WeakPolarHBondContact O-CE2 3.3Å; D647-Y651 PolarHBondContact O-OH 3Å; D647-L669 HydrophobicContact CB-CD2 4.49Å; D647-V671 HydrophobicContact CB-CG2 4.26Å
648	S	92.3	Very high	91	Very high	36 Å²	36	36.6 Å²	36.6	25%	0.252	18%	0.179	S	C	.	.			trans	-59.2	133.1	172.9	-57.6	0	0	0	0	110.5	Y614 K645 K646 L669 V671	Y614-S648 PolarHBondContact OH-O 3.34Å; K645-S648 PolarHBondContact O-N 2.04Å; K645-S648 PolarHBondContact O-OG 3.44Å; K646-S648 PolarHBondContact O-N 3.16Å; S648-L669 CarbonylContact C-O 3.47Å; S648-L669 VanDerWaalsContact CA-O 3.22Å; S648-L669 WeakPolarHBondContact CA-O 3.39Å; S648-V671 WeakPolarHBondContact OG-CB 3.32Å; S648-V671 PolarHBondContact OG-N 3.45Å
649	G	92.6	Very high	90.5	Very high	8 Å²	8	39.7 Å²	39.7	8%	0.082	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153.4	-164.8	-177.4	0	0	0	0	0	112.8	D647 L669	D647-G649 PolarHBondContact O-N 3.01Å; G649-L669 PolarHBondContact N-O 3Å; G649-L669 PolarHBondContact O-N 2.99Å
650	I	93	Very high	90.1	Very high	26 Å²	26	37.8 Å²	37.8	13%	0.133	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	123.9	-174.8	-60.4	169.8	0	0	0	108.9	Y614 Q615 L652 K666 V667	Y614-I650 CarbonylContact C-O 3.56Å; Q615-I650 HydrophobicContact CB-CB 4.27Å; Q615-I650 PolarHBondContact N-O 3.48Å; Q615-I650 PolarHBondContact O-N 3.19Å; I650-L652 HydrophobicContact CG2-CD2 4.09Å; I650-L652 HydrophobicContact CG2-CG 4.24Å; I650-K666 HydrophobicContact CG2-CD 4.18Å; I650-K666 HydrophobicContact CG2-CG 3.67Å; I650-V667 CarbonylContact C-O 3.56Å; I650-V667 WeakPolarHBondContact CA-O 3.38Å
651	Y	93.3	Very high	89.8	Confident	1 Å²	1	42.3 Å²	42.3	0%	0.004	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	122.9	172.7	-66.8	-107.2	0	0	0	108.6	L599 Q613 Y614 I625 L638 I640 D647 V667 L669	L599-Y651 HydrophobicContact CD1-CD1 3.63Å; L599-Y651 HydrophobicContact CD1-CD2 3.95Å; L599-Y651 HydrophobicContact CD1-CE1 4.18Å; L599-Y651 HydrophobicContact CD1-CE2 4.49Å; L599-Y651 HydrophobicContact CD1-CG 3.51Å; Q613-Y651 CarbonylContact O-C 3.57Å; Q613-Y651 WeakPolarHBondContact O-CA 3.41Å; Y614-Y651 HydrophobicContact CD2-CD1 4.26Å; Y614-Y651 HydrophobicContact CD2-CD2 4.06Å; Y614-Y651 AromaticContact CD2-CE1 3.83Å; Y614-Y651 HydrophobicContact CD2-CE1 3.83Å; Y614-Y651 AromaticContact CD2-CE2 3.58Å; Y614-Y651 HydrophobicContact CD2-CE2 3.58Å; Y614-Y651 HydrophobicContact CD2-CG 4.35Å; Y614-Y651 AromaticContact CD2-CZ 3.46Å; Y614-Y651 VanDerWaalsContact CD2-CZ 3.46Å; Y614-Y651 AromaticContact CE2-CE2 3.76Å; Y614-Y651 HydrophobicContact CE2-CE2 3.76Å; Y614-Y651 AromaticContact CE2-CZ 3.82Å; Y614-Y651 HydrophobicContact CG-CE1 4.42Å; I625-Y651 HydrophobicContact CD1-CD1 3.44Å; I625-Y651 VanDerWaalsContact CD1-CD1 3.44Å; I625-Y651 HydrophobicContact CD1-CE1 3.59Å; L638-Y651 HydrophobicContact CD2-CD1 4Å; L638-Y651 HydrophobicContact CD2-CE1 4.24Å; I640-Y651 HydrophobicContact CD1-CE1 4.02Å; D647-Y651 VanDerWaalsContact O-CE2 3.3Å; D647-Y651 WeakPolarHBondContact O-CE2 3.3Å; D647-Y651 PolarHBondContact O-OH 3Å; Y651-V667 PolarHBondContact N-O 3.3Å; Y651-V667 PolarHBondContact O-N 2.9Å; Y651-L669 HydrophobicContact CD2-CB 3.86Å; Y651-L669 HydrophobicContact CD2-CD2 4.4Å; Y651-L669 HydrophobicContact CE2-CB 3.65Å; Y651-L669 HydrophobicContact CE2-CD2 3.59Å; Y651-L669 HydrophobicContact CE2-CG 4.26Å
652	L	92.6	Very high	89.5	Confident	10 Å²	10	38.2 Å²	38.2	5%	0.052	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	116.9	178.5	-61.5	168.6	0	0	0	108.6	W612 Q613 K622 I650 I663 K666	W612-L652 WeakPolarHBondContact CA-O 3.47Å; Q613-L652 HydrophobicContact CB-CB 4.31Å; Q613-L652 PolarHBondContact N-O 3.12Å; Q613-L652 PolarHBondContact O-N 2.89Å; K622-L652 HydrophobicContact CD-CD1 4.02Å; I650-L652 HydrophobicContact CG2-CD2 4.09Å; I650-L652 HydrophobicContact CG2-CG 4.24Å; L652-I663 HydrophobicContact CD2-CG2 4.33Å; L652-K666 HydrophobicContact CD2-CB 4.04Å; L652-K666 HydrophobicContact CD2-CD 4.33Å; L652-K666 HydrophobicContact CD2-CG 3.8Å
653	C	92.4	Very high	89.3	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	124.9	169.2	-174.5	0	0	0	0	109.4	C601 W612 V664 L665	C601-C653 HydrophobicContact CB-CB 3.7Å; C601-C653 WeakPolarHBondContact CB-SG 3.41Å; C601-C653 WeakPolarHBondContact SG-CB 3.36Å; C601-C653 CovalentContact SG-SG 2.02Å; C601-C653 PolarHBondContact SG-SG 2.54Å; W612-C653 HydrophobicContact CD2-CB 4.12Å; W612-C653 HydrophobicContact CE3-CB 3.95Å; W612-C653 HydrophobicContact CH2-CB 3.75Å; W612-C653 HydrophobicContact CZ2-CB 3.92Å; W612-C653 HydrophobicContact CZ3-CB 3.75Å; C653-V664 HydrophobicContact CB-CG2 4.02Å; C653-V664 VanDerWaalsContact O-CG2 3.27Å; C653-V664 WeakPolarHBondContact O-CG2 3.45Å; C653-V664 PolarHBondContact O-N 2.88Å; C653-L665 HydrophobicContact CB-CB 4.06Å; C653-L665 PolarHBondContact N-O 3.18Å; C653-L665 PolarHBondContact O-N 3.3Å
654	Q	90.6	Very high	89.1	Confident	17 Å²	17	39.9 Å²	39.9	8%	0.079	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	137.7	177.2	-70	173	-28	0	0	109.9	T610 Y611 M661 Q662 I663	T610-Q654 CarbonylContact C-O 3.56Å; T610-Q654 WeakPolarHBondContact CA-O 3.38Å; Y611-Q654 HydrophobicContact CD1-CB 4.45Å; Y611-Q654 VanDerWaalsContact CD1-OE1 3.26Å; Y611-Q654 PolarHBondContact N-O 2.89Å; Y611-Q654 PolarHBondContact O-N 3.15Å; Q654-M661 HydrophobicContact CB-CG 4.09Å; Q654-M661 HydrophobicContact CG-CG 4.48Å; Q654-M661 PolarHBondContact OE1-SD 3.49Å; Q654-M661 VanDerWaalsContact OE1-SD 3.33Å; Q654-Q662 CarbonylContact C-O 3.56Å; Q654-Q662 WeakPolarHBondContact CA-O 3.47Å; Q654-I663 HydrophobicContact CG-CB 4.47Å; Q654-I663 HydrophobicContact CG-CG1 3.8Å
655	A	89.9	Confident	89.1	Confident	5 Å²	5	38.7 Å²	38.7	4%	0.041	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	133.1	172.3	0	0	0	0	0	109.4	P603 A608 M661 Q662 V664	P603-A655 HydrophobicContact CB-CB 3.95Å; A608-A655 HydrophobicContact CB-CB 4.19Å; A655-M661 WeakPolarHBondContact O-CA 3.44Å; A655-Q662 HydrophobicContact CB-CG 4.41Å; A655-Q662 PolarHBondContact N-O 3.36Å; A655-Q662 PolarHBondContact O-N 3.13Å; A655-V664 HydrophobicContact CB-CG1 3.55Å; A655-V664 HydrophobicContact CB-CG2 4.34Å
656	V	88.9	Confident	89.3	Confident	36 Å²	36	36 Å²	36	22%	0.218	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	119.6	176	-174.6	0	0	0	0	109.5	A608 T609 F660 M661	A608-V656 VanDerWaalsContact CA-O 3.29Å; A608-V656 WeakPolarHBondContact CA-O 3.48Å; T609-V656 PolarHBondContact N-O 2.91Å; T609-V656 PolarHBondContact O-N 2.94Å; V656-F660 CarbonylContact C-O 3.52Å; V656-F660 VanDerWaalsContact CA-O 3.24Å; V656-F660 WeakPolarHBondContact CA-O 3.36Å; V656-M661 HydrophobicContact CG2-CB 4.18Å; V656-M661 HydrophobicContact CG2-CE 3.73Å; V656-M661 HydrophobicContact CG2-CG 3.98Å
657	E	89	Confident	89.7	Confident	15 Å²	15	30.7 Å²	30.7	7%	0.07	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	126.5	178.7	-173.4	174.7	-156	0	0	108.9	R33 L531 S605 A608 G659 F660	R33-E657 IonicContact CZ-OE2 2.98Å; R33-E657 IonicContact NE-OE1 3.1Å; R33-E657 PolarHBondContact NE-OE1 3.2Å; R33-E657 VanDerWaalsContact NE-OE1 3.09Å; R33-E657 IonicContact NE-OE2 2.78Å; R33-E657 PolarHBondContact NE-OE2 3.38Å; R33-E657 IonicContact NH2-OE2 2.93Å; R33-E657 PolarHBondContact NH2-OE2 2.93Å; L531-E657 HydrophobicContact CD1-CB 4.33Å; L531-E657 HydrophobicContact CD2-CB 4.45Å; L531-E657 HydrophobicContact CD2-CG 4.22Å; S605-E657 WeakPolarHBondContact CB-OE2 3.37Å; S605-E657 VanDerWaalsContact OG-CD 3.23Å; S605-E657 PolarHBondContact OG-OE1 2.89Å; S605-E657 PolarHBondContact OG-OE2 2.93Å; A608-E657 HydrophobicContact CB-CB 4.18Å; E657-G659 PolarHBondContact O-N 2.97Å; E657-G659 VanDerWaalsContact O-N 3.09Å; E657-F660 PolarHBondContact N-O 2.96Å; E657-F660 WeakPolarHBondContact O-CB 3.24Å; E657-F660 PolarHBondContact O-N 2.98Å
658	H	83.8	Confident	89.9	Confident	84 Å²	84	32.8 Å²	32.8	39%	0.389	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.9	38.5	-176	-65.1	153.6	0	0	0	114.8	L531 F660	L531-H658 HydrophobicContact CD2-CB 4.09Å; H658-F660 PolarHBondContact O-N 2.91Å
659	G	83.3	Confident	90	Very high	64 Å²	64	31.2 Å²	31.2	66%	0.66	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	79	-6.2	180	0	0	0	0	0	114.9	E657	E657-G659 PolarHBondContact O-N 2.97Å; E657-G659 VanDerWaalsContact O-N 3.09Å
660	F	85.9	Confident	90	Very high	14 Å²	14	35.6 Å²	35.6	6%	0.061	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	135.2	170.4	-176.5	-103.6	0	0	0	110.8	A527 L531 P565 L566 V656 E657 H658 Q662	A527-F660 HydrophobicContact CB-CD1 4.27Å; A527-F660 HydrophobicContact CB-CE1 3.47Å; A527-F660 VanDerWaalsContact CB-CE1 3.47Å; A527-F660 HydrophobicContact CB-CE2 4.16Å; A527-F660 HydrophobicContact CB-CZ 3.41Å; A527-F660 VanDerWaalsContact CB-CZ 3.41Å; L531-F660 HydrophobicContact CD1-CB 4.43Å; L531-F660 HydrophobicContact CD1-CD1 3.86Å; L531-F660 HydrophobicContact CD1-CG 4.45Å; P565-F660 HydrophobicContact CB-CD2 4.06Å; P565-F660 HydrophobicContact CB-CE2 4.24Å; P565-F660 HydrophobicContact CB-CG 4.31Å; P565-F660 HydrophobicContact CG-CB 3.51Å; P565-F660 HydrophobicContact CG-CD1 4.05Å; P565-F660 HydrophobicContact CG-CD2 3.38Å; P565-F660 HydrophobicContact CG-CE2 4.05Å; P565-F660 HydrophobicContact CG-CG 3.37Å; L566-F660 HydrophobicContact CD2-CD2 3.85Å; L566-F660 HydrophobicContact CD2-CE2 4.16Å; L566-F660 HydrophobicContact CG-CD2 4.18Å; V656-F660 CarbonylContact C-O 3.52Å; V656-F660 VanDerWaalsContact CA-O 3.24Å; V656-F660 WeakPolarHBondContact CA-O 3.36Å; E657-F660 PolarHBondContact N-O 2.96Å; E657-F660 WeakPolarHBondContact O-CB 3.24Å; E657-F660 PolarHBondContact O-N 2.98Å; H658-F660 PolarHBondContact O-N 2.91Å; F660-Q662 HydrophobicContact CD1-CB 4.46Å; F660-Q662 HydrophobicContact CE1-CB 3.79Å; F660-Q662 HydrophobicContact CE1-CG 4.22Å; F660-Q662 HydrophobicContact CZ-CB 4.5Å
661	M	86.4	Confident	90	Very high	94 Å²	94	35 Å²	35	46%	0.463	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	129	-179.4	-176.9	-178.1	-68	0	0	110.1	Q654 A655 V656	Q654-M661 HydrophobicContact CB-CG 4.09Å; Q654-M661 HydrophobicContact CG-CG 4.48Å; Q654-M661 PolarHBondContact OE1-SD 3.49Å; Q654-M661 VanDerWaalsContact OE1-SD 3.33Å; A655-M661 WeakPolarHBondContact O-CA 3.44Å; V656-M661 HydrophobicContact CG2-CB 4.18Å; V656-M661 HydrophobicContact CG2-CE 3.73Å; V656-M661 HydrophobicContact CG2-CG 3.98Å
662	Q	85.6	Confident	89.8	Confident	49 Å²	49	37.1 Å²	37.1	23%	0.229	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	147.1	175.7	62.5	177.7	24.3	0	0	112	Q654 A655 F660 V664	Q654-Q662 CarbonylContact C-O 3.56Å; Q654-Q662 WeakPolarHBondContact CA-O 3.47Å; A655-Q662 HydrophobicContact CB-CG 4.41Å; A655-Q662 PolarHBondContact N-O 3.36Å; A655-Q662 PolarHBondContact O-N 3.13Å; F660-Q662 HydrophobicContact CD1-CB 4.46Å; F660-Q662 HydrophobicContact CE1-CB 3.79Å; F660-Q662 HydrophobicContact CE1-CG 4.22Å; F660-Q662 HydrophobicContact CZ-CB 4.5Å; Q662-V664 HydrophobicContact CG-CG1 4.24Å
663	I	87.5	Confident	89.4	Confident	63 Å²	63	38.2 Å²	38.2	32%	0.323	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	123.4	172.9	-59.5	169.3	0	0	0	108.2	I584 L652 Q654	I584-I663 HydrophobicContact CG2-CG2 4.11Å; L652-I663 HydrophobicContact CD2-CG2 4.33Å; Q654-I663 HydrophobicContact CG-CB 4.47Å; Q654-I663 HydrophobicContact CG-CG1 3.8Å
664	V	87.8	Confident	88.6	Confident	33 Å²	33	40.1 Å²	40.1	20%	0.2	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-29.3	-179.5	-70.1	0	0	0	0	113	C601 C653 A655 Q662	C601-V664 WeakPolarHBondContact SG-CG2 3.28Å; C653-V664 HydrophobicContact CB-CG2 4.02Å; C653-V664 VanDerWaalsContact O-CG2 3.27Å; C653-V664 WeakPolarHBondContact O-CG2 3.45Å; C653-V664 PolarHBondContact O-N 2.88Å; A655-V664 HydrophobicContact CB-CG1 3.55Å; A655-V664 HydrophobicContact CB-CG2 4.34Å; Q662-V664 HydrophobicContact CG-CG1 4.24Å
665	L	90.3	Very high	87.8	Confident	20 Å²	20	46.8 Å²	46.8	11%	0.105	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	136.7	-178.8	-179.7	71.7	0	0	0	110.3	L585 R587 E600 C601 C653 V667	L585-L665 HydrophobicContact CB-CD1 3.8Å; L585-L665 WeakPolarHBondContact O-CD1 3.45Å; R587-L665 HydrophobicContact CB-CD1 4.29Å; E600-L665 WeakPolarHBondContact O-CD2 3.37Å; C601-L665 HydrophobicContact CB-CD2 4.17Å; C653-L665 HydrophobicContact CB-CB 4.06Å; C653-L665 PolarHBondContact N-O 3.18Å; C653-L665 PolarHBondContact O-N 3.3Å; L665-V667 HydrophobicContact CD1-CG2 4.46Å; L665-V667 HydrophobicContact CD2-CG2 3.46Å; L665-V667 VanDerWaalsContact CD2-CG2 3.46Å; L665-V667 HydrophobicContact CG-CG2 3.65Å
666	K	93.1	Very high	86.8	Confident	60 Å²	60	54.6 Å²	54.6	26%	0.261	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	128.8	166.4	-176.5	179.9	178.8	-167.9	0	108.4	I584 L585 D586 R587 I650 L652	I584-K666 HydrophobicContact CG2-CB 3.99Å; L585-K666 PolarHBondContact O-N 3.46Å; D586-K666 WeakPolarHBondContact CA-O 3.36Å; D586-K666 IonicContact OD2-NZ 3.97Å; R587-K666 PolarHBondContact N-O 2.89Å; I650-K666 HydrophobicContact CG2-CD 4.18Å; I650-K666 HydrophobicContact CG2-CG 3.67Å; L652-K666 HydrophobicContact CD2-CB 4.04Å; L652-K666 HydrophobicContact CD2-CD 4.33Å; L652-K666 HydrophobicContact CD2-CG 3.8Å
667	V	94.3	Very high	85.8	Confident	3 Å²	3	54.5 Å²	54.5	2%	0.018	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	122.3	-179.3	-175.2	0	0	0	0	109.8	R587 V589 L599 W612 I650 Y651 L665	R587-V667 CarbonylContact O-C 3.52Å; R587-V667 WeakPolarHBondContact O-CA 3.31Å; V589-V667 HydrophobicContact CB-CG1 4.14Å; V589-V667 HydrophobicContact CG2-CG1 3.71Å; L599-V667 HydrophobicContact CD1-CG1 4.49Å; L599-V667 HydrophobicContact CD2-CG1 4.15Å; W612-V667 HydrophobicContact CZ3-CG2 4.45Å; I650-V667 CarbonylContact C-O 3.56Å; I650-V667 WeakPolarHBondContact CA-O 3.38Å; Y651-V667 PolarHBondContact N-O 3.3Å; Y651-V667 PolarHBondContact O-N 2.9Å; L665-V667 HydrophobicContact CD1-CG2 4.46Å; L665-V667 HydrophobicContact CD2-CG2 3.46Å; L665-V667 VanDerWaalsContact CD2-CG2 3.46Å; L665-V667 HydrophobicContact CG-CG2 3.65Å
668	H	94.6	Very high	84.5	Confident	51 Å²	51	59 Å²	59	24%	0.236	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	108.8	168.4	-59.6	-96.8	0	0	0	108.4	D586 R587 T588 V589	D586-H668 IonicContact OD1-CD2 3.21Å; D586-H668 PolarHBondContact OD1-CD2 2.03Å; D586-H668 IonicContact OD1-NE2 2.76Å; D586-H668 PolarHBondContact OD1-NE2 3.42Å; D586-H668 IonicContact OD2-CD2 2.7Å; D586-H668 IonicContact OD2-CE1 2.95Å; D586-H668 IonicContact OD2-NE2 3.84Å; D586-H668 PolarHBondContact OD2-NE2 3.01Å; R587-H668 PolarHBondContact O-N 2.7Å; T588-H668 CarbonylContact C-O 3.52Å; T588-H668 WeakPolarHBondContact CA-O 3.36Å; T588-H668 HydrophobicContact CG2-CB 4.34Å; V589-H668 PolarHBondContact N-O 3.42Å
669	L	94.3	Very high	83.6	Confident	3 Å²	3	60.4 Å²	60.4	2%	0.016	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	120.8	174.2	179.3	61.9	0	0	0	109.1	V589 T597 L599 I640 L643 D647 S648 G649 Y651 V671	V589-L669 HydrophobicContact CB-CD1 4.39Å; V589-L669 HydrophobicContact CG1-CD1 4.17Å; V589-L669 WeakPolarHBondContact O-CA 3.34Å; T597-L669 HydrophobicContact CG2-CD1 4.16Å; T597-L669 HydrophobicContact CG2-CD2 4.39Å; L599-L669 HydrophobicContact CD2-CD1 4.46Å; I640-L669 HydrophobicContact CD1-CD2 3.83Å; L643-L669 HydrophobicContact CD2-CD2 3.83Å; D647-L669 HydrophobicContact CB-CD2 4.49Å; S648-L669 CarbonylContact C-O 3.47Å; S648-L669 VanDerWaalsContact CA-O 3.22Å; S648-L669 WeakPolarHBondContact CA-O 3.39Å; G649-L669 PolarHBondContact N-O 3Å; G649-L669 PolarHBondContact O-N 2.99Å; Y651-L669 HydrophobicContact CD2-CB 3.86Å; Y651-L669 HydrophobicContact CD2-CD2 4.4Å; Y651-L669 HydrophobicContact CE2-CB 3.65Å; Y651-L669 HydrophobicContact CE2-CD2 3.59Å; Y651-L669 HydrophobicContact CE2-CG 4.26Å; L669-V671 HydrophobicContact CD2-CG2 4.43Å; L669-V671 HydrophobicContact CG-CG2 4.25Å
670	E	93.4	Very high	82.7	Confident	100 Å²	100	61.4 Å²	61.4	47%	0.467	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	118.1	170.8	-68.7	-171.1	-171.2	0	0	109.7	V589 Y590 G591	V589-E670 PolarHBondContact O-N 3.11Å; Y590-E670 WeakPolarHBondContact CA-O 3.11Å; Y590-E670 HydrophobicContact CD1-CB 3.86Å; Y590-E670 HydrophobicContact CE1-CB 4.01Å; Y590-E670 HydrophobicContact CE1-CG 4.42Å; Y590-E670 WeakPolarHBondContact CE1-OE2 3.39Å; G591-E670 PolarHBondContact N-O 2.88Å
671	V	92.8	Very high	81.6	Confident	14 Å²	14	63.6 Å²	63.6	9%	0.085	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	114.9	177.4	-174.2	0	0	0	0	109.3	G591 E593 L643 D647 S648 L669	G591-V671 CarbonylContact O-C 3.5Å; G591-V671 WeakPolarHBondContact O-CA 3.39Å; E593-V671 HydrophobicContact CB-CG1 4.23Å; L643-V671 HydrophobicContact CB-CG1 4.29Å; L643-V671 HydrophobicContact CD2-CG2 4.1Å; D647-V671 HydrophobicContact CB-CG2 4.26Å; S648-V671 WeakPolarHBondContact OG-CB 3.32Å; S648-V671 PolarHBondContact OG-N 3.45Å; L669-V671 HydrophobicContact CD2-CG2 4.43Å; L669-V671 HydrophobicContact CG-CG2 4.25Å
672	I	89.2	Confident	80.3	Confident	44 Å²	44	64.1 Å²	64.1	23%	0.226	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	127.3	176.2	-53.9	174.7	0	0	0	108	Y590 G591 E593 L677	Y590-I672 HydrophobicContact CD1-CD1 4.17Å; G591-I672 PolarHBondContact O-N 2.9Å; E593-I672 PolarHBondContact N-O 2.74Å; I672-L677 HydrophobicContact CG2-CB 4.24Å; I672-L677 HydrophobicContact CG2-CD1 4.4Å
673	D	85.1	Confident	78.7	Confident	34 Å²	34	70.1 Å²	70.1	18%	0.182	33%	0.334	C	S	.	.			trans	-59.8	134.6	173.8	-168.3	-53.5	0	0	0	110.4	K645 E675 R676 L677	K645-D673 IonicContact NZ-OD2 2.71Å; K645-D673 PolarHBondContact NZ-OD2 2.95Å; D673-E675 VanDerWaalsContact C-N 3.26Å; D673-E675 PolarHBondContact O-N 2.84Å; D673-E675 PolarHBondContact OD1-N 2.94Å; D673-R676 HydrophobicContact CB-CB 3.94Å; D673-R676 PolarHBondContact O-N 3.39Å; D673-L677 PolarHBondContact O-N 2.83Å; D673-L677 VanDerWaalsContact O-N 3.1Å
674	A	75.6	Confident	76.8	Confident	40 Å²	40	73.3 Å²	73.3	33%	0.331	35%	0.352	S	S	.	.	H	α-helix	trans	-59.9	-36.5	-176.8	0	0	0	0	0	112.2
675	E	73.4	Confident	74.8	Confident	156 Å²	156	79 Å²	79	73%	0.729	38%	0.376	S	S	*	.	H	α-helix	trans	-71.7	-37.4	179.5	-61.4	-178.8	175	0	0	111.4	D673 L677 E678 D679	D673-E675 VanDerWaalsContact C-N 3.26Å; D673-E675 PolarHBondContact O-N 2.84Å; D673-E675 PolarHBondContact OD1-N 2.94Å; E675-L677 VanDerWaalsContact C-N 3.31Å; E675-L677 PolarHBondContact O-N 2.86Å; E675-E678 PolarHBondContact O-N 2.79Å; E675-D679 PolarHBondContact O-N 2.88Å
676	R	69.1	Low	72.5	Confident	170 Å²	170	84.5 Å²	84.5	64%	0.642	41%	0.406	S	S	*	.	H	α-helix	trans	-73.2	-24.1	-179.9	-166.1	171.5	179.4	175.3	-1.3	112.9	D673 L680	D673-R676 HydrophobicContact CB-CB 3.94Å; D673-R676 PolarHBondContact O-N 3.39Å; R676-L680 VanDerWaalsContact O-CG 3.31Å; R676-L680 WeakPolarHBondContact O-CG 3.42Å; R676-L680 PolarHBondContact O-N 3.49Å; R676-L680 VanDerWaalsContact O-N 3.09Å
677	L	66.9	Low	70.1	Confident	33 Å²	33	86.8 Å²	86.8	17%	0.173	43%	0.425	C	S	.	.	H	α-helix	trans	-69.1	-38.6	174.2	-173	68.3	0	0	0	111.1	V592 I672 D673 E675 L680 L681	V592-L677 HydrophobicContact CG1-CD2 3.9Å; V592-L677 HydrophobicContact CG2-CD2 3.76Å; I672-L677 HydrophobicContact CG2-CB 4.24Å; I672-L677 HydrophobicContact CG2-CD1 4.4Å; D673-L677 PolarHBondContact O-N 2.83Å; D673-L677 VanDerWaalsContact O-N 3.1Å; E675-L677 VanDerWaalsContact C-N 3.31Å; E675-L677 PolarHBondContact O-N 2.86Å; L677-L680 PolarHBondContact O-N 3.48Å; L677-L681 HydrophobicContact CG-CD1 4.08Å; L677-L681 WeakPolarHBondContact O-CB 3.26Å; L677-L681 VanDerWaalsContact O-CG 3.22Å; L677-L681 WeakPolarHBondContact O-CG 3.37Å; L677-L681 PolarHBondContact O-N 3.09Å
678	E	61.9	Low	67.5	Low	109 Å²	109	90.9 Å²	90.9	51%	0.509	46%	0.459	S	S	.	.	H	α-helix	trans	-61.4	-45.7	174.1	-66.9	-161.9	158.3	0	0	110.8	E675 L680 L681 H682	E675-E678 PolarHBondContact O-N 2.79Å; E678-L680 VanDerWaalsContact C-N 3.34Å; E678-L680 PolarHBondContact O-N 2.69Å; E678-L681 PolarHBondContact O-N 2.92Å; E678-H682 WeakPolarHBondContact O-CB 2.93Å; E678-H682 PolarHBondContact O-CD2 3.24Å; E678-H682 PolarHBondContact O-N 3.31Å
679	D	64.1	Low	64.9	Low	115 Å²	115	93.6 Å²	93.6	62%	0.615	48%	0.48	S	S	*	.	H	α-helix	trans	-60.2	-39.6	175.1	-78.6	-17.6	0	0	0	113.3	E675 L681 H682 R683	E675-D679 PolarHBondContact O-N 2.88Å; D679-L681 VanDerWaalsContact C-N 3.35Å; D679-H682 PolarHBondContact O-N 3.33Å; D679-R683 WeakPolarHBondContact O-CB 3.23Å; D679-R683 PolarHBondContact O-N 3.49Å
680	L	65.2	Low	62.5	Low	84 Å²	84	101.4 Å²	101.4	44%	0.44	52%	0.519	S	S	.	.	H	α-helix	trans	-69.9	-31.3	177.8	-76	168.5	0	0	0	112.7	R676 L677 E678	R676-L680 VanDerWaalsContact O-CG 3.31Å; R676-L680 WeakPolarHBondContact O-CG 3.42Å; R676-L680 PolarHBondContact O-N 3.49Å; R676-L680 VanDerWaalsContact O-N 3.09Å; L677-L680 PolarHBondContact O-N 3.48Å; E678-L680 VanDerWaalsContact C-N 3.34Å; E678-L680 PolarHBondContact O-N 2.69Å
681	L	62.5	Low	59.6	Low	61 Å²	61	103 Å²	103	32%	0.319	54%	0.536	S	S	.	.	H	α-helix	trans	-77.8	-30	175.4	-68.6	170.3	0	0	0	112.1	L677 E678 D679 Y709 L713	L677-L681 HydrophobicContact CG-CD1 4.08Å; L677-L681 WeakPolarHBondContact O-CB 3.26Å; L677-L681 VanDerWaalsContact O-CG 3.22Å; L677-L681 WeakPolarHBondContact O-CG 3.37Å; L677-L681 PolarHBondContact O-N 3.09Å; E678-L681 PolarHBondContact O-N 2.92Å; D679-L681 VanDerWaalsContact C-N 3.35Å; L681-Y709 HydrophobicContact CD2-CE1 3.85Å; L681-L713 HydrophobicContact CD1-CD1 4.16Å; L681-L713 HydrophobicContact CD1-CD2 4.09Å; L681-L713 HydrophobicContact CD2-CD1 3.87Å
682	H	59.2	Low	56.7	Low	104 Å²	104	108.1 Å²	108.1	48%	0.481	57%	0.569	S	S	.	*	H	α-helix	trans	-85.7	-23.4	178.9	-71.7	-56.1	0	0	0	114.2	E678 D679 D684 E685	E678-H682 WeakPolarHBondContact O-CB 2.93Å; E678-H682 PolarHBondContact O-CD2 3.24Å; E678-H682 PolarHBondContact O-N 3.31Å; D679-H682 PolarHBondContact O-N 3.33Å; H682-D684 PolarHBondContact O-N 3.05Å; H682-E685 PolarHBondContact O-N 3.4Å
683	R	52.3	Low	54.1	Low	175 Å²	175	110.7 Å²	110.7	66%	0.66	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-15.2	-179.7	-158.5	165.3	74.6	166.4	5.5	114.9	D679 T687	D679-R683 WeakPolarHBondContact O-CB 3.23Å; D679-R683 PolarHBondContact O-N 3.49Å; R683-T687 PolarHBondContact O-OG1 3.33Å
684	D	48.8	Very low	51.4	Low	130 Å²	130	118.5 Å²	118.5	70%	0.695	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-9.7	176.9	-106	9.3	0	0	0	113.6	H682	H682-D684 PolarHBondContact O-N 3.05Å
685	E	45.3	Very low	49.2	Very low	153 Å²	153	123.6 Å²	123.6	72%	0.715	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-30.8	172.6	-73	-162.1	140.4	0	0	112.8	H682	H682-E685 PolarHBondContact O-N 3.4Å
686	D	42.6	Very low	47	Very low	135 Å²	135	126.2 Å²	126.2	72%	0.722	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-4.3	-172.3	-76.3	-25.1	0	0	0	115.4
687	T	42.2	Very low	45.2	Very low	108 Å²	108	122.8 Å²	122.8	66%	0.663	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	5.3	-179.8	45.4	0	0	0	0	114.5	R683	R683-T687 PolarHBondContact O-OG1 3.33Å
688	A	40.1	Very low	43.3	Very low	89 Å²	89	129.2 Å²	129.2	74%	0.736	70%	0.699	S	S	*	*	S	Bend	trans	-88.3	4.3	179.6	0	0	0	0	0	115.2
689	T	39.7	Very low	41.8	Very low	109 Å²	109	128.9 Å²	128.9	67%	0.669	71%	0.709	S	S	*	*	S	Bend	trans	-133.2	118.4	177.9	26.2	0	0	0	0	111.1
690	I	42.8	Very low	40.3	Very low	166 Å²	166	135.2 Å²	135.2	85%	0.851	73%	0.725	S	S	*	*			trans	99.2	81.8	169.4	-47.3	156.4	0	0	0	114.9
691	V	32.2	Very low	38.5	Very low	135 Å²	135	139.9 Å²	139.9	82%	0.818	74%	0.744	S	S	*	*				-157.1	137.8	129	-176.5	0	0	0	0	108.5
692	P	32.8	Very low	37.1	Very low	120 Å²	120	142 Å²	142	78%	0.779	76%	0.76	S	S	*	*			trans	-78.2	154.1	178.9	2.9	14.6	0	0	0	113.2
693	A	34.1	Very low	36.1	Very low	99 Å²	99	142.3 Å²	142.3	82%	0.818	77%	0.771	S	S	*	*			trans	-58.6	135.4	-176.6	0	0	0	0	0	115.1
694	Q	29.3	Very low	35.4	Very low	197 Å²	197	138.2 Å²	138.2	92%	0.921	77%	0.769	S	S	*	*			trans	-155.2	141.1	140.2	-110	172.4	8.5	0	0	110.4
695	D	29.2	Very low	34.9	Very low	147 Å²	147	139 Å²	139	79%	0.786	77%	0.768	S	S	*	*			trans	-55.9	141.5	-161.7	-71	-54.9	0	0	0	116.7
696	F	27.7	Very low	34.8	Very low	212 Å²	212	139.9 Å²	139.9	93%	0.93	77%	0.77	S	S	*	*				-166.3	134.5	115.8	-98.1	-73.9	0	0	0	110
697	S	30.5	Very low	34.6	Very low	98 Å²	98	139.9 Å²	139.9	69%	0.685	77%	0.769	S	S	*	*			trans	-78.7	142.1	-168.9	52.6	0	0	0	0	115.5
698	L	27.1	Very low	34.5	Very low	167 Å²	167	143.7 Å²	143.7	87%	0.874	77%	0.772	S	S	*	*			trans	-175.3	110.6	134.1	-97.4	143	0	0	0	113.4
699	S	31.2	Very low	34.7	Very low	103 Å²	103	145.3 Å²	145.3	72%	0.72	76%	0.76	S	S	*	*			trans	29.9	96.7	150	56.4	0	0	0	0	124.2
700	R	31.3	Very low	34.7	Very low	248 Å²	248	149.7 Å²	149.7	94%	0.936	76%	0.764	S	S	*	*				46.6	94.9	112.7	-142.9	176.1	-172	-173.3	1.9	120.9
701	E	28.1	Very low	34.9	Very low	181 Å²	181	146.3 Å²	146.3	85%	0.846	75%	0.748	S	S	*	*			trans	-100.9	151.2	154.1	-74.6	-172	157.9	0	0	112.1
702	T	33.4	Very low	35.5	Very low	105 Å²	105	145 Å²	145	64%	0.644	73%	0.731	S	S	*	*			trans	-86.7	154	-168.6	43.5	0	0	0	0	115.5	S704	T702-S704 VanDerWaalsContact C-N 3.34Å; T702-S704 PolarHBondContact O-N 3.28Å
703	P	37.5	Very low	36.1	Very low	112 Å²	112	141.7 Å²	141.7	73%	0.727	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	3.6	-167.9	-9.2	27.2	0	0	0	116.6
704	S	38.5	Very low	36.7	Very low	88 Å²	88	141 Å²	141	62%	0.615	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-15.8	-168.4	55.5	0	0	0	0	115	T702	T702-S704 VanDerWaalsContact C-N 3.34Å; T702-S704 PolarHBondContact O-N 3.28Å
705	Q	37.2	Very low	37.4	Very low	146 Å²	146	135.6 Å²	135.6	68%	0.682	67%	0.673	S	S	*	*	S	Bend	trans	-80	-19.6	-178.5	-76.9	176.1	-26.5	0	0	113.8
706	K	43.3	Very low	38.3	Very low	173 Å²	173	131.5 Å²	131.5	75%	0.752	65%	0.653	S	S	*	*	H	α-helix	trans	-77.3	-19.8	-176	-71.1	-168.4	173.5	-166.4	0	114.9
707	L	39.2	Very low	38.9	Very low	134 Å²	134	126.9 Å²	126.9	70%	0.702	64%	0.638	S	S	*	*	H	α-helix	trans	-80.2	-30.8	-177.1	-87.6	141.4	0	0	0	113.6
708	W	39.5	Very low	39.6	Very low	188 Å²	188	130.5 Å²	130.5	71%	0.712	64%	0.644	S	S	*	*	H	α-helix	trans	-71.8	-32.7	-178.8	-179	75.1	0	0	0	112.6	D711 F712	W708-D711 PolarHBondContact O-N 3.32Å; W708-F712 PolarHBondContact O-N 2.98Å
709	Y	44.3	Very low	40.3	Very low	123 Å²	123	126.7 Å²	126.7	48%	0.482	63%	0.629	S	S	.	*	H	α-helix	trans	-69.9	-34	-178.3	-163	-105.7	0	0	0	113.1	L681 F712 L713	L681-Y709 HydrophobicContact CD2-CE1 3.85Å; Y709-F712 PolarHBondContact O-N 3.1Å; Y709-L713 HydrophobicContact CD1-CD1 3.81Å; Y709-L713 HydrophobicContact CD1-CG 4.48Å; Y709-L713 HydrophobicContact CE1-CD1 3.69Å; Y709-L713 HydrophobicContact CE1-CG 4.33Å; Y709-L713 WeakPolarHBondContact O-CG 3.46Å; Y709-L713 PolarHBondContact O-N 2.83Å; Y709-L713 VanDerWaalsContact O-N 3.15Å
710	R	40.1	Very low	40.9	Very low	202 Å²	202	127 Å²	127	76%	0.762	63%	0.627	S	S	*	*	H	α-helix	trans	-68.5	-38.3	176.5	-109.7	-175.4	72.7	168.3	5.3	113.2	F712 S714	R710-F712 VanDerWaalsContact C-N 3.3Å; R710-S714 PolarHBondContact O-N 3.03Å
711	D	45.5	Very low	41.5	Very low	95 Å²	95	122.7 Å²	122.7	51%	0.508	62%	0.621	S	S	.	*	H	α-helix	trans	-68.8	-32.6	177.4	-79.4	-5.7	0	0	0	110.9	W708 S714	W708-D711 PolarHBondContact O-N 3.32Å; D711-S714 PolarHBondContact O-OG 3.35Å
712	F	46.6	Very low	42.5	Very low	107 Å²	107	120.1 Å²	120.1	47%	0.469	61%	0.613	S	S	.	*	H	α-helix	trans	-70.4	-42	176.7	-166.3	-95.2	0	0	0	112.9	W708 Y709 R710 S714 L715 V716	W708-F712 PolarHBondContact O-N 2.98Å; Y709-F712 PolarHBondContact O-N 3.1Å; R710-F712 VanDerWaalsContact C-N 3.3Å; F712-S714 PolarHBondContact O-N 3.37Å; F712-L715 WeakPolarHBondContact O-CB 3.35Å; F712-L715 PolarHBondContact O-N 3.11Å; F712-V716 HydrophobicContact CD1-CG2 4.19Å; F712-V716 HydrophobicContact CE1-CG2 4.02Å
713	L	44.7	Very low	43.3	Very low	51 Å²	51	117.7 Å²	117.7	27%	0.267	60%	0.6	S	S	.	*	H	α-helix	trans	-64.6	-28.2	178.2	-73	168.2	0	0	0	113.1	L681 Y709 L715 V716	L681-L713 HydrophobicContact CD1-CD1 4.16Å; L681-L713 HydrophobicContact CD1-CD2 4.09Å; L681-L713 HydrophobicContact CD2-CD1 3.87Å; Y709-L713 HydrophobicContact CD1-CD1 3.81Å; Y709-L713 HydrophobicContact CD1-CG 4.48Å; Y709-L713 HydrophobicContact CE1-CD1 3.69Å; Y709-L713 HydrophobicContact CE1-CG 4.33Å; Y709-L713 WeakPolarHBondContact O-CG 3.46Å; Y709-L713 PolarHBondContact O-N 2.83Å; Y709-L713 VanDerWaalsContact O-N 3.15Å; L713-L715 PolarHBondContact O-N 3.11Å; L713-V716 PolarHBondContact O-N 3.34Å
714	S	45.7	Very low	44	Very low	84 Å²	84	115.7 Å²	115.7	59%	0.587	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	-15.6	174	79.8	0	0	0	0	114	R710 D711 F712	R710-S714 PolarHBondContact O-N 3.03Å; D711-S714 PolarHBondContact O-OG 3.35Å; F712-S714 PolarHBondContact O-N 3.37Å
715	L	44.4	Very low	44.7	Very low	84 Å²	84	117.1 Å²	117.1	44%	0.44	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.4	-15.1	178	-68.4	164.9	0	0	0	113.6	F712 L713 F727	F712-L715 WeakPolarHBondContact O-CB 3.35Å; F712-L715 PolarHBondContact O-N 3.11Å; L713-L715 PolarHBondContact O-N 3.11Å; L715-F727 HydrophobicContact CD1-CE1 4.11Å; L715-F727 HydrophobicContact CD1-CE2 4.48Å; L715-F727 HydrophobicContact CD1-CZ 3.81Å; L715-F727 HydrophobicContact CD2-CD1 3.84Å; L715-F727 HydrophobicContact CD2-CD2 3.99Å; L715-F727 HydrophobicContact CD2-CE1 3.7Å; L715-F727 HydrophobicContact CD2-CE2 3.86Å; L715-F727 HydrophobicContact CD2-CG 3.98Å; L715-F727 HydrophobicContact CD2-CZ 3.72Å; L715-F727 HydrophobicContact CG-CE2 4.42Å; L715-F727 HydrophobicContact CG-CZ 4.19Å
716	V	48.8	Very low	45.5	Very low	61 Å²	61	115.3 Å²	115.3	37%	0.37	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.4	-24	-171.2	-179.9	0	0	0	0	112.1	F712 L713 H718	F712-V716 HydrophobicContact CD1-CG2 4.19Å; F712-V716 HydrophobicContact CE1-CG2 4.02Å; L713-V716 PolarHBondContact O-N 3.34Å; V716-H718 PolarHBondContact O-N 3.42Å
717	N	40.3	Very low	46	Very low	114 Å²	114	111.1 Å²	111.1	61%	0.61	56%	0.564	S	S	*	*	S	Bend	trans	-95.3	96.8	177.6	-78	-4	0	0	0	112.1
718	H	44.3	Very low	46.9	Very low	175 Å²	175	108 Å²	108	81%	0.81	55%	0.553	S	S	*	*			trans	56.4	101.4	166.9	-64	-62.9	0	0	0	118.7	V716	V716-H718 PolarHBondContact O-N 3.42Å
719	P	41.7	Very low	47.9	Very low	87 Å²	87	102.7 Å²	102.7	57%	0.565	54%	0.538	S	S	*	.			trans	-91.2	114.3	163.3	32.4	-24.4	0	0	0	110.4	V724	P719-V724 HydrophobicContact CB-CG2 3.8Å
720	T	44.6	Very low	48.8	Very low	110 Å²	110	103 Å²	103	68%	0.675	54%	0.544	S	S	*	.			trans	-70.4	132.9	144.5	52.5	0	0	0	0	107.2	N722 S723	T720-N722 PolarHBondContact O-N 3.14Å; T720-S723 PolarHBondContact O-N 3.22Å; T720-S723 PolarHBondContact O-OG 3.05Å
721	L	44.3	Very low	49.8	Very low	156 Å²	156	96.5 Å²	96.5	82%	0.817	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.7	-28.5	-172.9	-84.4	152.6	0	0	0	116.4	S723	L721-S723 PolarHBondContact O-N 3.5Å
722	N	47.6	Very low	50.2	Low	128 Å²	128	99.4 Å²	99.4	68%	0.684	53%	0.53	S	S	*	.	H	α-helix	trans	-72	-20.8	177.9	-66.6	-14.1	0	0	0	114.8	T720	T720-N722 PolarHBondContact O-N 3.14Å
723	S	51.4	Low	50.9	Low	53 Å²	53	100.3 Å²	100.3	37%	0.371	53%	0.534	S	S	.	.	H	α-helix	trans	-80.7	-24	-177.1	70.4	0	0	0	0	113.6	T720 L721 F727	T720-S723 PolarHBondContact O-N 3.22Å; T720-S723 PolarHBondContact O-OG 3.05Å; L721-S723 PolarHBondContact O-N 3.5Å; S723-F727 WeakPolarHBondContact O-CB 3.46Å; S723-F727 PolarHBondContact O-N 2.82Å
724	V	51.7	Low	51.8	Low	71 Å²	71	106.6 Å²	106.6	43%	0.43	56%	0.555	S	S	.	*	H	α-helix	trans	-73.9	-39.7	178.4	179.9	0	0	0	0	110.6	P719 F727 C728	P719-V724 HydrophobicContact CB-CG2 3.8Å; V724-F727 PolarHBondContact O-N 2.95Å; V724-C728 WeakPolarHBondContact O-CB 3.5Å; V724-C728 PolarHBondContact O-N 2.83Å; V724-C728 PolarHBondContact O-SG 3.14Å; V724-C728 VanDerWaalsContact O-SG 3.42Å
725	D	53.8	Low	52.3	Low	118 Å²	118	107.5 Å²	107.5	63%	0.631	55%	0.549	S	S	*	.	H	α-helix	trans	-63.9	-44.3	175.1	-83.4	-25.4	0	0	0	111.3	F727 C728 D729	D725-F727 VanDerWaalsContact C-N 3.32Å; D725-F727 PolarHBondContact O-N 3.34Å; D725-C728 PolarHBondContact O-N 3.49Å; D725-D729 WeakPolarHBondContact O-CB 3.29Å; D725-D729 PolarHBondContact O-N 2.64Å
726	D	53.5	Low	53	Low	108 Å²	108	111.2 Å²	111.2	58%	0.578	56%	0.557	S	S	*	*	H	α-helix	trans	-64.4	-35.2	176.1	-86.9	-24.2	0	0	0	112.7	D729 Q730	D726-D729 PolarHBondContact O-N 3.38Å; D726-Q730 WeakPolarHBondContact O-CB 3.2Å; D726-Q730 WeakPolarHBondContact O-CG 3.1Å; D726-Q730 PolarHBondContact O-N 2.96Å
727	F	54.2	Low	53.4	Low	84 Å²	84	115.1 Å²	115.1	37%	0.368	57%	0.569	S	S	.	*	H	α-helix	trans	-69.4	-46.4	174.6	-178.1	-98.8	0	0	0	111.9	L715 S723 V724 D725 D729 Q730 V731	L715-F727 HydrophobicContact CD1-CE1 4.11Å; L715-F727 HydrophobicContact CD1-CE2 4.48Å; L715-F727 HydrophobicContact CD1-CZ 3.81Å; L715-F727 HydrophobicContact CD2-CD1 3.84Å; L715-F727 HydrophobicContact CD2-CD2 3.99Å; L715-F727 HydrophobicContact CD2-CE1 3.7Å; L715-F727 HydrophobicContact CD2-CE2 3.86Å; L715-F727 HydrophobicContact CD2-CG 3.98Å; L715-F727 HydrophobicContact CD2-CZ 3.72Å; L715-F727 HydrophobicContact CG-CE2 4.42Å; L715-F727 HydrophobicContact CG-CZ 4.19Å; S723-F727 WeakPolarHBondContact O-CB 3.46Å; S723-F727 PolarHBondContact O-N 2.82Å; V724-F727 PolarHBondContact O-N 2.95Å; D725-F727 VanDerWaalsContact C-N 3.32Å; D725-F727 PolarHBondContact O-N 3.34Å; F727-D729 PolarHBondContact O-N 2.9Å; F727-Q730 PolarHBondContact O-N 2.88Å; F727-Q730 VanDerWaalsContact O-N 3.13Å; F727-V731 HydrophobicContact CD1-CG2 4.05Å; F727-V731 HydrophobicContact CE1-CG2 3.61Å; F727-V731 HydrophobicContact CE2-CG2 4.17Å; F727-V731 HydrophobicContact CG-CG2 4.5Å; F727-V731 HydrophobicContact CZ-CG2 3.67Å; F727-V731 WeakPolarHBondContact O-CG2 3.49Å; F727-V731 PolarHBondContact O-N 2.74Å
728	C	57.7	Low	54.1	Low	69 Å²	69	115.4 Å²	115.4	47%	0.466	57%	0.567	S	S	.	*	H	α-helix	trans	-57.1	-40.6	173.2	-77.4	0	0	0	0	111	V724 D725 V731 W732	V724-C728 WeakPolarHBondContact O-CB 3.5Å; V724-C728 PolarHBondContact O-N 2.83Å; V724-C728 PolarHBondContact O-SG 3.14Å; V724-C728 VanDerWaalsContact O-SG 3.42Å; D725-C728 PolarHBondContact O-N 3.49Å; C728-V731 PolarHBondContact O-N 2.97Å; C728-W732 VanDerWaalsContact O-CB 3.24Å; C728-W732 WeakPolarHBondContact O-CB 3.35Å; C728-W732 PolarHBondContact O-N 3.43Å
729	D	60.6	Low	54.6	Low	77 Å²	77	113.9 Å²	113.9	41%	0.412	56%	0.558	S	S	.	*	H	α-helix	trans	-66.6	-38.5	176.5	-126.4	33	0	0	0	112.7	D725 D726 F727 K733	D725-D729 WeakPolarHBondContact O-CB 3.29Å; D725-D729 PolarHBondContact O-N 2.64Å; D726-D729 PolarHBondContact O-N 3.38Å; F727-D729 PolarHBondContact O-N 2.9Å; D729-K733 VanDerWaalsContact O-CB 3.28Å; D729-K733 WeakPolarHBondContact O-CB 3.34Å; D729-K733 WeakPolarHBondContact O-CD 3.41Å; D729-K733 WeakPolarHBondContact O-CG 3.31Å; D729-K733 PolarHBondContact O-N 3.14Å; D729-K733 IonicContact OD2-NZ 3.39Å; D729-K733 PolarHBondContact OD2-NZ 2.88Å
730	Q	63.3	Low	55.4	Low	129 Å²	129	118.9 Å²	118.9	60%	0.603	57%	0.566	S	S	*	*	H	α-helix	trans	-70	-40.2	175.8	-79.3	-174.1	18.1	0	0	112.7	D726 F727 K733 R734	D726-Q730 WeakPolarHBondContact O-CB 3.2Å; D726-Q730 WeakPolarHBondContact O-CG 3.1Å; D726-Q730 PolarHBondContact O-N 2.96Å; F727-Q730 PolarHBondContact O-N 2.88Å; F727-Q730 VanDerWaalsContact O-N 3.13Å; Q730-K733 PolarHBondContact O-N 3.42Å; Q730-R734 WeakPolarHBondContact O-CB 3.49Å; Q730-R734 PolarHBondContact O-N 3.15Å
731	V	61.8	Low	56	Low	66 Å²	66	119.1 Å²	119.1	40%	0.4	56%	0.559	S	S	.	*	H	α-helix	trans	-64.5	-44.4	174.2	173	0	0	0	0	110	F727 C728 K733 R734 E735	F727-V731 HydrophobicContact CD1-CG2 4.05Å; F727-V731 HydrophobicContact CE1-CG2 3.61Å; F727-V731 HydrophobicContact CE2-CG2 4.17Å; F727-V731 HydrophobicContact CG-CG2 4.5Å; F727-V731 HydrophobicContact CZ-CG2 3.67Å; F727-V731 WeakPolarHBondContact O-CG2 3.49Å; F727-V731 PolarHBondContact O-N 2.74Å; C728-V731 PolarHBondContact O-N 2.97Å; V731-K733 VanDerWaalsContact C-N 3.34Å; V731-K733 PolarHBondContact O-N 3.04Å; V731-R734 PolarHBondContact O-N 3.24Å; V731-E735 PolarHBondContact O-N 2.94Å
732	W	53.3	Low	56.4	Low	155 Å²	155	118.8 Å²	118.8	59%	0.587	55%	0.551	S	S	*	*	H	α-helix	trans	-64.9	-36.3	176.7	-154.2	-83.3	0	0	0	112.4	C728 R736	C728-W732 VanDerWaalsContact O-CB 3.24Å; C728-W732 WeakPolarHBondContact O-CB 3.35Å; C728-W732 PolarHBondContact O-N 3.43Å; W732-R736 WeakPolarHBondContact O-CB 3.1Å; W732-R736 WeakPolarHBondContact O-CG 3.45Å; W732-R736 PolarHBondContact O-N 3.28Å
733	K	61.1	Low	56.6	Low	127 Å²	127	115.4 Å²	115.4	55%	0.552	54%	0.541	S	S	*	.	H	α-helix	trans	-68.9	-39.7	172.5	-76.7	165.1	-171.4	151.4	0	111.9	D729 Q730 V731 R736 K737	D729-K733 VanDerWaalsContact O-CB 3.28Å; D729-K733 WeakPolarHBondContact O-CB 3.34Å; D729-K733 WeakPolarHBondContact O-CD 3.41Å; D729-K733 WeakPolarHBondContact O-CG 3.31Å; D729-K733 PolarHBondContact O-N 3.14Å; D729-K733 IonicContact OD2-NZ 3.39Å; D729-K733 PolarHBondContact OD2-NZ 2.88Å; Q730-K733 PolarHBondContact O-N 3.42Å; V731-K733 VanDerWaalsContact C-N 3.34Å; V731-K733 PolarHBondContact O-N 3.04Å; K733-R736 PolarHBondContact O-N 2.95Å; K733-K737 WeakPolarHBondContact O-CB 3.15Å; K733-K737 PolarHBondContact O-N 2.95Å
734	R	63.7	Low	56.6	Low	183 Å²	183	119.1 Å²	119.1	69%	0.691	55%	0.552	S	S	*	*	H	α-helix	trans	-63.7	-44.8	173.7	-95	-177.9	173.9	179.1	-1	111.3	Q730 V731 R736 K737 H738	Q730-R734 WeakPolarHBondContact O-CB 3.49Å; Q730-R734 PolarHBondContact O-N 3.15Å; V731-R734 PolarHBondContact O-N 3.24Å; R734-R736 PolarHBondContact O-N 3.21Å; R734-K737 PolarHBondContact O-N 2.8Å; R734-H738 WeakPolarHBondContact O-CB 3.43Å; R734-H738 PolarHBondContact O-N 2.73Å
735	E	55.6	Low	56.7	Low	102 Å²	102	121.9 Å²	121.9	48%	0.477	56%	0.56	S	S	.	*	H	α-helix	trans	-61.2	-42.5	174.7	-82.6	-151.6	145.3	0	0	112.5	V731 K737 H738 K739	V731-E735 PolarHBondContact O-N 2.94Å; E735-K737 VanDerWaalsContact C-N 3.31Å; E735-K737 PolarHBondContact O-N 2.86Å; E735-H738 PolarHBondContact O-N 2.92Å; E735-K739 WeakPolarHBondContact O-CB 3.15Å; E735-K739 WeakPolarHBondContact O-CG 3.38Å; E735-K739 PolarHBondContact O-N 2.87Å
736	R	59.7	Low	56.8	Low	162 Å²	162	120.1 Å²	120.1	61%	0.611	55%	0.554	S	S	*	*	H	α-helix	trans	-63.3	-37.1	174.9	-78.7	-179.6	172.6	-176.1	0	112.1	W732 K733 R734 R740	W732-R736 WeakPolarHBondContact O-CB 3.1Å; W732-R736 WeakPolarHBondContact O-CG 3.45Å; W732-R736 PolarHBondContact O-N 3.28Å; K733-R736 PolarHBondContact O-N 2.95Å; R734-R736 PolarHBondContact O-N 3.21Å; R736-R740 WeakPolarHBondContact O-CB 3.32Å; R736-R740 PolarHBondContact O-N 2.78Å
737	K	57.8	Low	56.8	Low	143 Å²	143	120.8 Å²	120.8	62%	0.622	55%	0.553	S	S	*	*	H	α-helix	trans	-69.7	-39	175.6	-155.4	176.3	-175.2	-178.6	0	111.2	K733 R734 E735 R740 Q741	K733-K737 WeakPolarHBondContact O-CB 3.15Å; K733-K737 PolarHBondContact O-N 2.95Å; R734-K737 PolarHBondContact O-N 2.8Å; E735-K737 VanDerWaalsContact C-N 3.31Å; E735-K737 PolarHBondContact O-N 2.86Å; K737-R740 PolarHBondContact O-N 2.81Å; K737-Q741 WeakPolarHBondContact O-CG 3.49Å; K737-Q741 PolarHBondContact O-N 3.49Å
738	H	54.6	Low	56.7	Low	121 Å²	121	123.9 Å²	123.9	56%	0.56	57%	0.566	S	S	*	*	H	α-helix	trans	-70.6	-37.7	177.4	-143.4	-22.7	0	0	0	112.2	R734 E735 Q741 K742	R734-H738 WeakPolarHBondContact O-CB 3.43Å; R734-H738 PolarHBondContact O-N 2.73Å; E735-H738 PolarHBondContact O-N 2.92Å; H738-Q741 PolarHBondContact O-N 2.85Å; H738-K742 WeakPolarHBondContact O-CB 3.26Å; H738-K742 PolarHBondContact O-N 2.85Å
739	K	54.4	Low	56.5	Low	143 Å²	143	124.2 Å²	124.2	62%	0.622	57%	0.566	S	S	*	*	H	α-helix	trans	-64.9	-39.2	170.2	-80.6	177.3	177.3	164.9	0	111.9	E735 A743	E735-K739 WeakPolarHBondContact O-CB 3.15Å; E735-K739 WeakPolarHBondContact O-CG 3.38Å; E735-K739 PolarHBondContact O-N 2.87Å; K739-A743 VanDerWaalsContact O-CB 3.32Å; K739-A743 WeakPolarHBondContact O-CB 3.49Å; K739-A743 PolarHBondContact O-N 2.93Å
740	R	58.3	Low	56.1	Low	192 Å²	192	126.4 Å²	126.4	73%	0.725	57%	0.574	S	S	*	*	H	α-helix	trans	-66.4	-39	172.7	-87	176.8	139.5	-175.7	-5.9	112.9	R736 K737 A743 H744	R736-R740 WeakPolarHBondContact O-CB 3.32Å; R736-R740 PolarHBondContact O-N 2.78Å; K737-R740 PolarHBondContact O-N 2.81Å; R740-A743 PolarHBondContact O-N 3.43Å; R740-H744 WeakPolarHBondContact O-CB 3.37Å; R740-H744 PolarHBondContact O-CD2 3.21Å; R740-H744 PolarHBondContact O-N 3.43Å
741	Q	56.5	Low	55.4	Low	115 Å²	115	123.7 Å²	123.7	54%	0.537	57%	0.566	S	S	.	*	H	α-helix	trans	-69.9	-39.6	175.6	-76.2	176.2	-13.9	0	0	112.1	K737 H738 H744 H745	K737-Q741 WeakPolarHBondContact O-CG 3.49Å; K737-Q741 PolarHBondContact O-N 3.49Å; H738-Q741 PolarHBondContact O-N 2.85Å; Q741-H744 PolarHBondContact O-N 2.85Å; Q741-H745 WeakPolarHBondContact O-CB 3.27Å; Q741-H745 PolarHBondContact O-N 2.77Å
742	K	52.7	Low	54.8	Low	148 Å²	148	126.1 Å²	126.1	64%	0.643	57%	0.573	S	S	*	*	H	α-helix	trans	-62.7	-41.7	170.4	-90.7	-177.4	172.9	177.3	0	111.7	H738 H745 V746	H738-K742 WeakPolarHBondContact O-CB 3.26Å; H738-K742 PolarHBondContact O-N 2.85Å; K742-H745 PolarHBondContact O-N 3.15Å; K742-V746 WeakPolarHBondContact O-CB 3.17Å; K742-V746 VanDerWaalsContact O-CG2 3.24Å; K742-V746 WeakPolarHBondContact O-CG2 3.35Å; K742-V746 PolarHBondContact O-N 3.27Å
743	A	52.8	Low	54.5	Low	57 Å²	57	124.8 Å²	124.8	47%	0.471	57%	0.573	S	S	.	*	H	α-helix	trans	-63.1	-42.5	175	0	0	0	0	0	112.2	K739 R740 V746 Q747	K739-A743 VanDerWaalsContact O-CB 3.32Å; K739-A743 WeakPolarHBondContact O-CB 3.49Å; K739-A743 PolarHBondContact O-N 2.93Å; R740-A743 PolarHBondContact O-N 3.43Å; A743-V746 PolarHBondContact O-N 3.05Å; A743-Q747 VanDerWaalsContact O-CB 3.31Å; A743-Q747 WeakPolarHBondContact O-CB 3.42Å; A743-Q747 PolarHBondContact O-N 3.2Å
744	H	51.6	Low	53.9	Low	131 Å²	131	125.3 Å²	125.3	61%	0.606	58%	0.578	S	S	*	*	H	α-helix	trans	-66.5	-34.3	174.4	-90.4	-64.9	0	0	0	113.2	R740 Q741 K748	R740-H744 WeakPolarHBondContact O-CB 3.37Å; R740-H744 PolarHBondContact O-CD2 3.21Å; R740-H744 PolarHBondContact O-N 3.43Å; Q741-H744 PolarHBondContact O-N 2.85Å; H744-K748 WeakPolarHBondContact O-CB 3.24Å; H744-K748 PolarHBondContact O-N 2.94Å
745	H	53.8	Low	53.1	Low	130 Å²	130	122.9 Å²	122.9	60%	0.602	57%	0.574	S	S	*	*	H	α-helix	trans	-71.3	-43.1	176.5	-165.1	61.6	0	0	0	111.6	Q741 K742 Q747 K748 V749	Q741-H745 WeakPolarHBondContact O-CB 3.27Å; Q741-H745 PolarHBondContact O-N 2.77Å; K742-H745 PolarHBondContact O-N 3.15Å; H745-Q747 VanDerWaalsContact C-N 3.31Å; H745-Q747 PolarHBondContact O-N 2.8Å; H745-K748 PolarHBondContact O-N 2.87Å; H745-V749 VanDerWaalsContact O-CG2 3.27Å; H745-V749 WeakPolarHBondContact O-CG2 2.9Å; H745-V749 PolarHBondContact O-N 2.87Å
746	V	54.6	Low	52.6	Low	81 Å²	81	124.3 Å²	124.3	49%	0.491	58%	0.58	S	S	.	*	H	α-helix	trans	-62.4	-38.2	174.1	172.9	0	0	0	0	111.3	K742 A743 V749 Q750	K742-V746 WeakPolarHBondContact O-CB 3.17Å; K742-V746 VanDerWaalsContact O-CG2 3.24Å; K742-V746 WeakPolarHBondContact O-CG2 3.35Å; K742-V746 PolarHBondContact O-N 3.27Å; A743-V746 PolarHBondContact O-N 3.05Å; V746-V749 PolarHBondContact O-N 3.18Å; V746-Q750 WeakPolarHBondContact O-CB 3.24Å; V746-Q750 WeakPolarHBondContact O-CG 3.41Å; V746-Q750 PolarHBondContact O-N 2.84Å
747	Q	53.7	Low	51.9	Low	122 Å²	122	124.7 Å²	124.7	57%	0.57	59%	0.589	S	S	*	*	H	α-helix	trans	-70.8	-32	176.8	-158.9	165.1	16.2	0	0	112.8	A743 H745 T751	A743-Q747 VanDerWaalsContact O-CB 3.31Å; A743-Q747 WeakPolarHBondContact O-CB 3.42Å; A743-Q747 PolarHBondContact O-N 3.2Å; H745-Q747 VanDerWaalsContact C-N 3.31Å; H745-Q747 PolarHBondContact O-N 2.8Å; Q747-T751 PolarHBondContact O-N 3.1Å; Q747-T751 VanDerWaalsContact O-N 3.15Å; Q747-T751 PolarHBondContact O-OG1 3.07Å
748	K	52.2	Low	51.2	Low	149 Å²	149	126.1 Å²	126.1	65%	0.648	60%	0.598	S	S	*	*	H	α-helix	trans	-72	-36.3	173.4	-126.9	178.9	-179.3	-175.6	0	112.6	H744 H745 T751 H752	H744-K748 WeakPolarHBondContact O-CB 3.24Å; H744-K748 PolarHBondContact O-N 2.94Å; H745-K748 PolarHBondContact O-N 2.87Å; K748-T751 WeakPolarHBondContact CA-OG1 3.37Å; K748-T751 PolarHBondContact O-OG1 3.03Å; K748-H752 PolarHBondContact O-N 3.31Å; K748-H752 VanDerWaalsContact O-N 3.08Å
749	V	54.1	Low	50.6	Low	75 Å²	75	129 Å²	129	46%	0.455	61%	0.612	S	S	.	*	H	α-helix	trans	-71.6	-37.7	176	174	0	0	0	0	110.9	H745 V746 H752 H753	H745-V749 VanDerWaalsContact O-CG2 3.27Å; H745-V749 WeakPolarHBondContact O-CG2 2.9Å; H745-V749 PolarHBondContact O-N 2.87Å; V746-V749 PolarHBondContact O-N 3.18Å; V749-H752 PolarHBondContact O-N 3.28Å; V749-H753 PolarHBondContact O-N 2.94Å
750	Q	51.8	Low	49.9	Very low	123 Å²	123	126.6 Å²	126.6	58%	0.575	62%	0.619	S	S	*	*	H	α-helix	trans	-67.3	-34.6	173.4	-78.5	177.2	-13.3	0	0	113.4	V746 Q754	V746-Q750 WeakPolarHBondContact O-CB 3.24Å; V746-Q750 WeakPolarHBondContact O-CG 3.41Å; V746-Q750 PolarHBondContact O-N 2.84Å; Q750-Q754 PolarHBondContact O-N 2.8Å; Q750-Q754 VanDerWaalsContact O-N 3.12Å
751	T	48.9	Very low	48.8	Very low	73 Å²	73	122 Å²	122	45%	0.448	62%	0.622	S	S	.	*	H	α-helix	trans	-73.5	-33.9	175	23.7	0	0	0	0	112.6	Q747 K748 Q754 Q755	Q747-T751 PolarHBondContact O-N 3.1Å; Q747-T751 VanDerWaalsContact O-N 3.15Å; Q747-T751 PolarHBondContact O-OG1 3.07Å; K748-T751 WeakPolarHBondContact CA-OG1 3.37Å; K748-T751 PolarHBondContact O-OG1 3.03Å; T751-Q754 PolarHBondContact O-N 2.68Å; T751-Q755 PolarHBondContact O-N 2.65Å; T751-Q755 VanDerWaalsContact O-N 3.16Å
752	H	50	Low	47.9	Very low	116 Å²	116	122.8 Å²	122.8	54%	0.537	64%	0.637	S	S	.	*	H	α-helix	trans	-68.8	-36.3	172.4	-107.9	-72.9	0	0	0	113	K748 V749 Q755 Q756	K748-H752 PolarHBondContact O-N 3.31Å; K748-H752 VanDerWaalsContact O-N 3.08Å; V749-H752 PolarHBondContact O-N 3.28Å; H752-Q755 PolarHBondContact O-N 2.75Å; H752-Q756 PolarHBondContact O-N 3.34Å; H752-Q756 VanDerWaalsContact O-N 3.13Å
753	H	47.5	Very low	46.9	Very low	127 Å²	127	121 Å²	121	59%	0.588	64%	0.643	S	S	*	*	H	α-helix	trans	-71.1	-31.5	174.5	-102.3	-2.5	0	0	0	113.4	V749 Q757	V749-H753 PolarHBondContact O-N 2.94Å; H753-Q757 PolarHBondContact O-N 2.96Å
754	Q	48	Very low	45.9	Very low	139 Å²	139	123.7 Å²	123.7	65%	0.65	66%	0.659	S	S	*	*	H	α-helix	trans	-71.2	-29.8	172	-83.5	-178.8	-5.9	0	0	113.3	Q750 T751	Q750-Q754 PolarHBondContact O-N 2.8Å; Q750-Q754 VanDerWaalsContact O-N 3.12Å; T751-Q754 PolarHBondContact O-N 2.68Å
755	Q	46.4	Very low	44.9	Very low	131 Å²	131	125.7 Å²	125.7	61%	0.612	67%	0.668	S	S	*	*	H	α-helix	trans	-77.6	-29.2	174.8	-81.7	179.1	-10.3	0	0	113.3	T751 H752	T751-Q755 PolarHBondContact O-N 2.65Å; T751-Q755 VanDerWaalsContact O-N 3.16Å; H752-Q755 PolarHBondContact O-N 2.75Å
756	Q	45.2	Very low	43.8	Very low	132 Å²	132	125.9 Å²	125.9	62%	0.617	67%	0.673	S	S	*	*	H	α-helix	trans	-78.1	-22.3	176.7	-87.3	176.2	-5	0	0	114.3	H752 Q758	H752-Q756 PolarHBondContact O-N 3.34Å; H752-Q756 VanDerWaalsContact O-N 3.13Å; Q756-Q758 VanDerWaalsContact C-N 3.29Å; Q756-Q758 PolarHBondContact O-N 3.26Å
757	Q	44.7	Very low	42.7	Very low	171 Å²	171	128.7 Å²	128.7	80%	0.799	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-2.6	175	-81.8	-178.8	-2.6	0	0	114.4	H753	H753-Q757 PolarHBondContact O-N 2.96Å
758	Q	44.3	Very low	41.6	Very low	172 Å²	172	130.4 Å²	130.4	80%	0.804	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	2.9	177.3	-82.5	178.1	7.6	0	0	114.8	Q756	Q756-Q758 VanDerWaalsContact C-N 3.29Å; Q756-Q758 PolarHBondContact O-N 3.26Å
759	Q	41.6	Very low	41	Very low	181 Å²	181	132.3 Å²	132.3	85%	0.846	71%	0.706	S	S	*	*	S	Bend	trans	-113.7	12.9	-175.9	-87.7	-178.3	-10.1	0	0	116.3
760	A	40.1	Very low	39.9	Very low	94 Å²	94	133.5 Å²	133.5	78%	0.777	72%	0.724	S	S	*	*			trans	-133.2	85.4	176.1	0	0	0	0	0	113.2
761	A	35.2	Very low	39	Very low	95 Å²	95	137.5 Å²	137.5	79%	0.785	74%	0.742	S	S	*	*			trans	-166.3	134.5	147.9	0	0	0	0	0	110.6
762	P	37.3	Very low	38.4	Very low	131 Å²	131	136.8 Å²	136.8	85%	0.851	75%	0.75	S	S	*	*			trans	-86.3	161.2	172.5	20.4	-6	0	0	0	113.1
763	S	32.1	Very low	38	Very low	110 Å²	110	138.1 Å²	138.1	77%	0.769	76%	0.76	S	S	*	*			trans	-55.8	142.1	-175.2	51.7	0	0	0	0	118.1
764	S	30.5	Very low	37.5	Very low	115 Å²	115	136.5 Å²	136.5	80%	0.804	77%	0.769	S	S	*	*				177.4	127.2	117.8	45	0	0	0	0	114.8
765	H	31.4	Very low	37	Very low	173 Å²	173	134.6 Å²	134.6	80%	0.801	77%	0.771	S	S	*	*			trans	33.4	121.1	149.1	-81.1	-73.5	0	0	0	125.6
766	N	30.4	Very low	36.7	Very low	134 Å²	134	136.6 Å²	136.6	72%	0.717	78%	0.778	S	S	*	*				125.5	109.3	120.3	-80.3	-5	0	0	0	119.4
767	N	31.1	Very low	36.2	Very low	139 Å²	139	140 Å²	140	74%	0.743	79%	0.785	S	S	*	*			trans	64	117.6	138.3	-76.7	-8.2	0	0	0	125.1
768	M	31.9	Very low	35.9	Very low	158 Å²	158	140.2 Å²	140.2	78%	0.778	78%	0.783	S	S	*	*			trans	64.5	95.4	131.4	-66.5	-169.8	73.3	0	0	120.6
769	H	37.8	Very low	35.6	Very low	190 Å²	190	138.7 Å²	138.7	88%	0.88	78%	0.776	S	S	*	*				170.7	98.6	120.8	-103.8	-72.9	0	0	0	110.2
770	A	30.8	Very low	35.4	Very low	99 Å²	99	136.8 Å²	136.8	82%	0.818	77%	0.771	S	S	*	*			trans	-166.8	63.7	166.3	0	0	0	0	0	113.2
771	Q	32.9	Very low	35.4	Very low	207 Å²	207	139.6 Å²	139.6	97%	0.967	77%	0.768	S	S	*	*			trans	-113.7	94	159.7	-80.4	-177.1	-13.7	0	0	108.1
772	G	37.8	Very low	35.5	Very low	59 Å²	59	142.8 Å²	142.8	61%	0.608	77%	0.767	S	S	*	*	S	Bend	trans	-177.7	-13.3	179.2	0	0	0	0	0	116.4
773	L	40.3	Very low	35.5	Very low	143 Å²	143	147.1 Å²	147.1	75%	0.749	77%	0.766	S	S	*	*	S	Bend	trans	-110.8	-9.2	-173.4	-88.6	129.3	0	0	0	115.9
774	A	37.7	Very low	35.8	Very low	94 Å²	94	150.3 Å²	150.3	78%	0.777	77%	0.769	S	S	*	*	S	Bend	trans	-82.3	-20	-177.1	0	0	0	0	0	114.4
775	S	37.3	Very low	36	Very low	99 Å²	99	154.4 Å²	154.4	69%	0.692	77%	0.772	S	S	*	*	S	Bend	trans	-86.1	-15.2	-175.6	49.3	0	0	0	0	114.6
776	K	40	Very low	36.3	Very low	172 Å²	172	149.3 Å²	149.3	75%	0.748	77%	0.766	S	S	*	*	S	Bend	trans	-84.9	-19.1	-179.4	-107.2	177.4	177.5	175.9	0	114.7
777	W	36.2	Very low	36.5	Very low	203 Å²	203	154.2 Å²	154.2	77%	0.769	77%	0.774	S	S	*	*	S	Bend	trans	-83.3	-27	-175.3	-80.7	92	0	0	0	114.3
778	K	36.7	Very low	36.5	Very low	176 Å²	176	155.8 Å²	155.8	77%	0.765	78%	0.783	S	S	*	*	H	α-helix	trans	-73.6	-26.7	178.1	-93.3	-177.7	172.5	-179.5	0	113.8
779	H	38.7	Very low	36.6	Very low	141 Å²	141	159.6 Å²	159.6	65%	0.653	79%	0.788	S	S	*	*	H	α-helix	trans	-84.7	-13.8	-173.5	-148.5	-51.9	0	0	0	114.2
780	L	37.2	Very low	36.4	Very low	140 Å²	140	161.5 Å²	161.5	73%	0.733	79%	0.788	S	S	*	*	H	α-helix	trans	-89.3	-25.3	-179.2	-128.9	92.2	0	0	0	113.5
781	Q	39.8	Very low	36.4	Very low	154 Å²	154	163.8 Å²	163.8	72%	0.72	79%	0.792	S	S	*	*	H	α-helix	trans	-78	-21.8	-177.6	-101	176.7	-12.6	0	0	114
782	E	37.8	Very low	36.4	Very low	162 Å²	162	162.5 Å²	162.5	76%	0.757	79%	0.786	S	S	*	*	G	3₁₀ helix	trans	-80.9	-18.8	178.3	-74.6	-177.6	157.5	0	0	113.4	Q784	E782-Q784 PolarHBondContact O-N 2.84Å
783	R	37.2	Very low	36	Very low	222 Å²	222	167.9 Å²	167.9	84%	0.838	80%	0.795	S	S	*	*	G	3₁₀ helix	trans	-80.4	-8.4	178.5	-82.6	-178	78	-172.7	5	115.1
784	Q	37.5	Very low	35.5	Very low	176 Å²	176	168.7 Å²	168.7	82%	0.822	80%	0.799	S	S	*	*	G	3₁₀ helix	trans	-99.6	-3.1	-176.4	-97	-179.3	-14.7	0	0	115.3	E782	E782-Q784 PolarHBondContact O-N 2.84Å
785	K	35.3	Very low	35.1	Very low	202 Å²	202	171 Å²	171	88%	0.878	79%	0.794	S	S	*	*	S	Bend	trans	-97.7	4.8	-179	-82.2	-175.3	176.7	177.2	0	115.8
786	G	38.4	Very low	34.7	Very low	65 Å²	65	176.4 Å²	176.4	67%	0.67	80%	0.799	S	S	*	*	S	Bend	trans	-123.4	65.8	-176.5	0	0	0	0	0	113.9
787	R	34.9	Very low	34.2	Very low	237 Å²	237	172.6 Å²	172.6	89%	0.894	80%	0.799	S	S	*	*			trans	-171.7	94	159.6	-110.2	167	-176.3	179.5	0.5	110.9
788	N	31.3	Very low	34.6	Very low	172 Å²	172	168.1 Å²	168.1	92%	0.92	80%	0.796	S	S	*	*			trans	-179.5	90.6	143.8	-93.9	-8.1	0	0	0	109.6
789	R	33.4	Very low	34.4	Very low	238 Å²	238	171.2 Å²	171.2	90%	0.898	80%	0.803	S	S	*	*			trans	-134.5	108.1	164.1	-120.6	-177.4	-179.2	-175.8	-0.3	108.8
790	R	34.3	Very low	34.1	Very low	231 Å²	231	170 Å²	170	87%	0.872	81%	0.811	S	S	*	*			trans	39.7	121.9	147.5	-64.1	179.8	179.1	178.8	-3.2	119.4
791	T	30.7	Very low	34.2	Very low	147 Å²	147	173.5 Å²	173.5	90%	0.902	84%	0.837	S	S	*	*			trans	-102.8	126.2	152.3	42.4	0	0	0	0	109.5
792	H	31.4	Very low	33.9	Very low	180 Å²	180	174.5 Å²	174.5	83%	0.833	84%	0.843	S	S	*	*			trans	-107.3	149.5	159.5	-115.1	-82.4	0	0	0	107.7
793	E	30.7	Very low	33.7	Very low	172 Å²	172	175.1 Å²	175.1	80%	0.804	85%	0.848	S	S	*	*			trans	-57.5	150.1	-179	-63.4	165.3	126.4	0	0	114.9
794	L	29.4	Very low	33.5	Very low	159 Å²	159	172.5 Å²	172.5	83%	0.832	85%	0.848	S	S	*	*				173	131.5	116	-92	154.8	0	0	0	113.3
795	E	28.8	Very low	33.3	Very low	143 Å²	143	172.3 Å²	172.3	67%	0.668	85%	0.85	S	S	*	*			trans	40.5	117.9	149.2	-83.3	-168.8	126.4	0	0	126.5
796	R	29	Very low	33.1	Very low	213 Å²	213	170.4 Å²	170.4	80%	0.804	85%	0.848	S	S	*	*				68.6	120.7	123.3	-90.9	-178.4	175.6	139.1	-6.7	125
797	A	28.7	Very low	32.8	Very low	91 Å²	91	177.5 Å²	177.5	75%	0.752	86%	0.86	S	S	*	*				65.9	161.7	124.8	0	0	0	0	0	122.1
798	P	45.3	Very low	32.6	Very low	109 Å²	109	173.2 Å²	173.2	71%	0.708	86%	0.857	S	S	*	*			cis	-134.2	166.8	-38.9	36	-18.3	0	0	0	115.3
799	R	32.5	Very low	32.7	Very low	241 Å²	241	173.3 Å²	173.3	91%	0.909	85%	0.853	S	S	*	*			trans	68.4	155.2	143.1	-81.4	-175.6	-170.1	-176.1	4.1	124
800	S	33	Very low	32.7	Very low	116 Å²	116	167.9 Å²	167.9	81%	0.811	85%	0.849	S	S	*	*			trans	86.4	130.9	159.9	70.4	0	0	0	0	115.9
801	V	38.6	Very low	32.5	Very low	213 Å²	213	162.2 Å²	162.2	100%	1.291	85%	0.847	S	S	*	*			cis	-135.1	0	14	171	0	0	0	0	109.4

Retrieved 801 of 801 residues in 1684.2 ms (Link to these results)

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