A0A096MQS2_PAPAN Loading...

Paracaspase

Protease that enhances BCL10-induced activation: acts via formation of CBM complexes that channel adaptive and innate immune signaling downstream of CARD domain-containing proteins (CARD9, CARD11 and CARD14) to activate NF-kappa-B and MAP kinase p38 pathways which stimulate expression of genes encoding pro-inflammatory cytokines and chemokines. Mediates BCL10 cleavage: MALT1-dependent BCL10 cleavage plays an important role in T-cell antigen receptor-induced integrin adhesion. Involved in the induction of T helper 17 cells (Th17) differentiation. Cleaves RC3H1 and ZC3H12A in response to T-cell receptor (TCR) stimulation which releases their cooperatively repressed targets to promote Th17 cell differentiation. Also mediates cleavage of N4BP1 in T-cells following TCR-mediated activation, leading to N4BP1 inactivation. May also have ubiquitin ligase activity: binds to TRAF6, inducing TRAF6 oligomerization and activation of its ligase activity.

AlphaFold DB (A0A2K5NB66), UniProt , Accession A0A096MQS2, Species PAPAN (Papio anubis, Olive baboon), Gene MALT1, Length 824 aa.

						>A0A096MQS2_PAPAN|A0A096MQS2|MALT1
MSLLGDPLQALPPSAALTGPLLAPPAGATLNRLREPLLRRLSEHLDQAPEGRGWRRLAELAGSRGRLRLSCLDLEQCSLKVLEPEGSPSLCLLKLMGEKGCTVTELSDFLQAMEHTEVLQLLSPPGIKITINPESKAVLAGQFVKLCCRATGHPFVQYQWFKMNKEIPNGNTSELIFNAVHVKDAGFYVCRVNNNVTFEFSQWSQLDVCDVPESFRRSVDGVSESKLQICVEPTSQKLMPGSTLVLQCVAVGSPIPHYQWFKNELPLTHETKKLYMVPYVDLEHQGTYWCHVYNDRDSQDSKKAEIIIGRTDEAVECTEDELNNLGHPDNKEQTTDQPLAKDKVALLIGNMNYREHPKLKAPLVDVYELTNLLRQLDFKVVSLLDLTEYEMRNAVDEFLLLLDKGVYGLLYYAGHGYENFGNSFMVPVDAPNPYRSENCLCVQNILKLMQEKETGLNVFLLDMCRKRNDYDDTIPILDALKVTANIVFGYATCQGAEAFEIQHSGLANGIFMKFLKDRLLEDKKITVLLDEVAEDMGKCHLTKGKQALEIRSSLSEKRALTDPIQGTEYSAESLVRNLQWAKAHELPESMCLKFDCGVQIQLGFAAEFSNVMIIYTSIVYKPPEIIMCDAYVTDFPLDLDIDPKDANKGTPEETGSYLVSKDLPKHCLYTRLSSLQKLKEHLVFTVCLSYQYSGLEDTVEDKQEVNVGKPLIAKLDMHRGLGRKTCFQTCLMSNGPYQSSAATSGGAGHYHSLQDPFHGVYHSHPGNPSNVTPADSCHCSRTPDAFISSFAHHSSCHFSRSNVPVETTDEIPFSFSDRLRISEK
					

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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	33.4	Very low	31	Very low	238 Å²	238	148.3 Å²	148.3	100%	1.172	85%	0.848	S	S	*	*				0	131.8	0	-75	174.9	167.3	0	0	107.6
2	S	31.3	Very low	31.1	Very low	93 Å²	93	144.9 Å²	144.9	65%	0.65	84%	0.835	S	S	*	*			cis	-161.5	118.8	-11.9	-71.4	0	0	0	0	105.5
3	L	30.2	Very low	30.9	Very low	150 Å²	150	143.2 Å²	143.2	79%	0.785	83%	0.832	S	S	*	*				79.2	127.5	102.4	-73.2	169.5	0	0	0	115.7
4	L	32.9	Very low	30.7	Very low	175 Å²	175	141.3 Å²	141.3	92%	0.916	83%	0.831	S	S	*	*			trans	70.3	134	161.4	-54	152.5	0	0	0	115.3
5	G	30.4	Very low	30.6	Very low	69 Å²	69	138.5 Å²	138.5	71%	0.711	83%	0.83	S	S	*	*			cis	148.8	105.1	0.1	0	0	0	0	0	109.6
6	D	33.6	Very low	30.6	Very low	163 Å²	163	135.1 Å²	135.1	87%	0.872	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-64.6	141	-176.4	-74.5	-51.6	0	0	0	112.3	L8	D6-L8 PolarHBondContact O-N 3.46Å
7	P	30.5	Very low	30.6	Very low	120 Å²	120	137.8 Å²	137.8	78%	0.779	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-72.9	121.8	-178.9	-11.3	26.8	0	0	0	111.2	Q9	P7-Q9 PolarHBondContact O-N 3.01Å
8	L	30.2	Very low	30.8	Very low	172 Å²	172	138.2 Å²	138.2	90%	0.901	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-54.1	120.3	166.7	-76.1	155.5	0	0	0	110.2	D6 A10	D6-L8 PolarHBondContact O-N 3.46Å; L8-A10 PolarHBondContact O-N 2.99Å; L8-A10 VanDerWaalsContact O-N 3.15Å
9	Q	31.2	Very low	30.8	Very low	190 Å²	190	133.6 Å²	133.6	89%	0.888	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-61.1	116.3	162.2	-83.7	-178.2	-24.7	0	0	108.5	P7 L11	P7-Q9 PolarHBondContact O-N 3.01Å; Q9-L11 PolarHBondContact O-N 2.76Å
10	A	28.4	Very low	31	Very low	93 Å²	93	133 Å²	133	77%	0.769	82%	0.815	S	S	*	*			trans	-66.3	115.4	175.9	0	0	0	0	0	109.8	L8 P12	L8-A10 PolarHBondContact O-N 2.99Å; L8-A10 VanDerWaalsContact O-N 3.15Å; A10-P12 WeakPolarHBondContact O-CD 3.47Å
11	L	29	Very low	31.5	Very low	168 Å²	168	132.3 Å²	132.3	88%	0.88	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-60	120.8	161.7	-84.8	142.4	0	0	0	108.4	Q9	Q9-L11 PolarHBondContact O-N 2.76Å
12	P	32.5	Very low	32.1	Very low	108 Å²	108	126.3 Å²	126.3	70%	0.701	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-63.8	152.8	166.7	27.9	-32.6	0	0	0	109.6	A10	A10-P12 WeakPolarHBondContact O-CD 3.47Å
13	P	28.2	Very low	33	Very low	122 Å²	122	123.7 Å²	123.7	79%	0.792	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-63.3	150.8	-173.6	26.9	-35.5	0	0	0	112.1	A15	P13-A15 PolarHBondContact O-N 3.23Å; P13-A15 VanDerWaalsContact O-N 3.15Å
14	S	27.8	Very low	33.9	Very low	117 Å²	117	118.1 Å²	118.1	82%	0.818	74%	0.735	S	S	*	*			trans	-45	117.7	-179.7	57	0	0	0	0	112.4	A16	S14-A16 PolarHBondContact O-N 2.86Å
15	A	28.8	Very low	35	Very low	99 Å²	99	114.6 Å²	114.6	82%	0.818	72%	0.723	S	S	*	*			trans	-61.4	109.4	173.8	0	0	0	0	0	109.5	P13 L17	P13-A15 PolarHBondContact O-N 3.23Å; P13-A15 VanDerWaalsContact O-N 3.15Å; A15-L17 PolarHBondContact O-N 3.11Å
16	A	30.8	Very low	35.8	Very low	84 Å²	84	114.6 Å²	114.6	69%	0.694	72%	0.715	S	S	*	*			trans	-62.7	134.1	171.1	0	0	0	0	0	109.1	S14 T18	S14-A16 PolarHBondContact O-N 2.86Å; A16-T18 PolarHBondContact O-N 2.75Å
17	L	31.4	Very low	36.8	Very low	181 Å²	181	109.9 Å²	109.9	95%	0.948	71%	0.705	S	S	*	*			trans	-53	98.4	-172.8	-75.5	146.1	0	0	0	113.4	A15 G19	A15-L17 PolarHBondContact O-N 3.11Å; L17-G19 PolarHBondContact O-N 3.18Å
18	T	33.9	Very low	38.4	Very low	145 Å²	145	104.5 Å²	104.5	89%	0.89	67%	0.671	S	S	*	*			trans	-82.4	64	167.1	42	0	0	0	0	111	A16	A16-T18 PolarHBondContact O-N 2.75Å
19	G	30.9	Very low	40.7	Very low	51 Å²	51	98.2 Å²	98.2	53%	0.526	64%	0.64	S	S	.	*			trans	-69.9	156.1	166.7	0	0	0	0	0	111.8	L17 L21	L17-G19 PolarHBondContact O-N 3.18Å; G19-L21 PolarHBondContact O-N 3.05Å
20	P	35	Very low	43.1	Very low	122 Å²	122	89.1 Å²	89.1	79%	0.792	60%	0.598	S	S	*	*			trans	-55.1	137.3	176.4	-24.9	34.4	0	0	0	112.2	L22	P20-L22 PolarHBondContact O-N 3.4Å
21	L	41.9	Very low	45.4	Very low	119 Å²	119	88.6 Å²	88.6	62%	0.623	58%	0.582	S	S	*	*			trans	-69.4	102.3	178.1	-72.4	166.1	0	0	0	110	G19 A23	G19-L21 PolarHBondContact O-N 3.05Å; L21-A23 PolarHBondContact O-N 3.41Å
22	L	46.3	Very low	47.6	Very low	111 Å²	111	90 Å²	90	58%	0.581	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-60.5	125.1	167.7	-80.9	158.9	0	0	0	109.9	P20	P20-L22 PolarHBondContact O-N 3.4Å
23	A	49	Very low	49.8	Very low	39 Å²	39	85.5 Å²	85.5	32%	0.322	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-66.2	151.9	174.3	0	0	0	0	0	111.2	L21 P124	L21-A23 PolarHBondContact O-N 3.41Å; A23-P124 HydrophobicContact CB-CB 3.91Å
24	P	50	Low	52.3	Low	33 Å²	33	86.6 Å²	86.6	21%	0.214	53%	0.533	C	S	.	.	P	Polyproline II helix	trans	-73.1	150.9	178.6	-0.7	17	0	0	0	110.9	A28 L33 V103	P24-A28 HydrophobicContact CB-CB 4.29Å; P24-L33 HydrophobicContact CB-CD2 3.85Å; P24-L33 HydrophobicContact CG-CD2 3.2Å; P24-V103 HydrophobicContact CB-CG2 4.4Å; P24-V103 HydrophobicContact CG-CG2 4.41Å
25	P	54.4	Low	54.8	Low	101 Å²	101	84.4 Å²	84.4	66%	0.656	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-64	141.1	171.7	26.7	-32.5	0	0	0	110.6	G27 A28	P25-G27 PolarHBondContact O-N 3.49Å; P25-A28 HydrophobicContact CG-CB 4.28Å; P25-A28 VanDerWaalsContact O-CB 3.27Å; P25-A28 WeakPolarHBondContact O-CB 3.45Å; P25-A28 PolarHBondContact O-N 3.45Å
26	A	48.8	Very low	57.3	Low	68 Å²	68	84 Å²	84	56%	0.562	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-15.1	-169.3	0	0	0	0	0	116	T104	A26-T104 HydrophobicContact CB-CG2 4.07Å; A26-T104 WeakPolarHBondContact O-CG2 3.29Å; A26-T104 PolarHBondContact O-OG1 2.93Å
27	G	53	Low	59.7	Low	64 Å²	64	81.7 Å²	81.7	66%	0.66	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	6.9	173.5	0	0	0	0	0	115.3	P25	P25-G27 PolarHBondContact O-N 3.49Å
28	A	65.6	Low	62.2	Low	7 Å²	7	73.4 Å²	73.4	6%	0.058	43%	0.432	C	S	.	.			trans	-68.2	134	180	0	0	0	0	0	111.7	P24 P25 T102 V103	P24-A28 HydrophobicContact CB-CB 4.29Å; P25-A28 HydrophobicContact CG-CB 4.28Å; P25-A28 VanDerWaalsContact O-CB 3.27Å; P25-A28 WeakPolarHBondContact O-CB 3.45Å; P25-A28 PolarHBondContact O-N 3.45Å; A28-T102 CarbonylContact O-C 3.51Å; A28-T102 VanDerWaalsContact O-CA 3.22Å; A28-T102 WeakPolarHBondContact O-CA 3.48Å; A28-T102 WeakPolarHBondContact O-CB 3.32Å; A28-V103 HydrophobicContact CB-CG2 4.23Å; A28-V103 PolarHBondContact O-N 3.19Å
29	T	78.1	Confident	64.6	Low	40 Å²	40	73.2 Å²	73.2	25%	0.245	42%	0.415	C	S	.	.	B	Isolated β-bridge	trans	-62.5	144.6	164.6	-41.1	0	0	0	0	110.3	N31 R32 G97 C101	T29-N31 PolarHBondContact O-N 2.88Å; T29-N31 VanDerWaalsContact O-N 3.12Å; T29-R32 WeakPolarHBondContact O-CB 3.28Å; T29-R32 PolarHBondContact O-N 3.27Å; T29-G97 VanDerWaalsContact CG2-O 3.27Å; T29-G97 WeakPolarHBondContact CG2-O 3.23Å; T29-C101 WeakPolarHBondContact CA-O 3.36Å
30	L	80.7	Confident	67.1	Low	0 Å²	0	76.2 Å²	76.2	0%	0	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-51.5	-36.8	179.1	-79.3	176.3	0	0	0	113.9	R32 L33 L93 M96 C101 L106	L30-R32 PolarHBondContact O-N 3.08Å; L30-L33 HydrophobicContact CD2-CD1 3.64Å; L30-L33 HydrophobicContact CD2-CG 4.42Å; L30-L33 VanDerWaalsContact O-CB 3.31Å; L30-L33 WeakPolarHBondContact O-CB 3.46Å; L30-L33 WeakPolarHBondContact O-CG 3.39Å; L30-L33 PolarHBondContact O-N 3.14Å; L30-L93 HydrophobicContact CD1-CD2 4.25Å; L30-M96 HydrophobicContact CD1-CB 4.13Å; L30-C101 HydrophobicContact CD1-CB 3.87Å; L30-C101 HydrophobicContact CG-CB 4.42Å; L30-C101 PolarHBondContact N-O 2.83Å; L30-L106 HydrophobicContact CD1-CB 4.42Å; L30-L106 HydrophobicContact CD1-CD2 4.5Å; L30-L106 HydrophobicContact CD2-CB 4.06Å; L30-L106 HydrophobicContact CD2-CD2 3.52Å; L30-L106 HydrophobicContact CD2-CG 4.37Å
31	N	76.3	Confident	69.6	Low	81 Å²	81	70.4 Å²	70.4	43%	0.433	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-64.7	-4.3	176.9	-70.7	-1.9	0	0	0	114.6	T29 K94 G97 E98	T29-N31 PolarHBondContact O-N 2.88Å; T29-N31 VanDerWaalsContact O-N 3.12Å; N31-K94 PolarHBondContact OD1-O 2.64Å; N31-G97 VanDerWaalsContact ND2-C 3.28Å; N31-G97 WeakPolarHBondContact OD1-CA 3.42Å; N31-E98 PolarHBondContact ND2-N 3.03Å
32	R	76.6	Confident	71.9	Confident	198 Å²	198	65 Å²	65	75%	0.747	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-100.8	-1.1	172.9	-59.2	-175.2	178.9	-171.3	-0.6	113.3	T29 L30	T29-R32 WeakPolarHBondContact O-CB 3.28Å; T29-R32 PolarHBondContact O-N 3.27Å; L30-R32 PolarHBondContact O-N 3.08Å
33	L	79.3	Confident	73.9	Confident	13 Å²	13	64 Å²	64	7%	0.068	34%	0.337	C	S	.	.	S	Bend	trans	-67.3	147.9	170	-66.8	-173.3	0	0	0	110.5	P24 L30 L37 L38 L41 V103	P24-L33 HydrophobicContact CB-CD2 3.85Å; P24-L33 HydrophobicContact CG-CD2 3.2Å; L30-L33 HydrophobicContact CD2-CD1 3.64Å; L30-L33 HydrophobicContact CD2-CG 4.42Å; L30-L33 VanDerWaalsContact O-CB 3.31Å; L30-L33 WeakPolarHBondContact O-CB 3.46Å; L30-L33 WeakPolarHBondContact O-CG 3.39Å; L30-L33 PolarHBondContact O-N 3.14Å; L33-L37 HydrophobicContact CD2-CD2 4.13Å; L33-L38 HydrophobicContact CB-CD1 4.11Å; L33-L38 HydrophobicContact CB-CD2 3.89Å; L33-L38 HydrophobicContact CB-CG 3.72Å; L33-L38 HydrophobicContact CD1-CD2 3.76Å; L33-L38 HydrophobicContact CD1-CG 4.4Å; L33-L38 HydrophobicContact CG-CD2 4.37Å; L33-L41 HydrophobicContact CD1-CD1 3.94Å; L33-V103 HydrophobicContact CD1-CG2 4.31Å; L33-V103 HydrophobicContact CD2-CG2 3.56Å; L33-V103 HydrophobicContact CG-CG2 4.04Å
34	R	79	Confident	75.7	Confident	145 Å²	145	65 Å²	65	55%	0.547	34%	0.335	S	S	.	.			trans	-72.8	138.1	175.5	-60.8	-177.5	179.7	178.1	0.4	109.7	P36 L37 L38	R34-P36 VanDerWaalsContact C-N 3.32Å; R34-P36 VanDerWaalsContact O-N 3.14Å; R34-L37 WeakPolarHBondContact O-CB 3.34Å; R34-L37 PolarHBondContact O-N 3.21Å; R34-L38 PolarHBondContact O-N 3.42Å; R34-L38 VanDerWaalsContact O-N 3.13Å
35	E	81.8	Confident	77.6	Confident	71 Å²	71	63.4 Å²	63.4	33%	0.332	33%	0.325	S	S	.	.	H	α-helix	trans	-50	-39.3	-178.4	-164.4	72.1	-179.2	0	0	114.5	L37 L38 R39 K94	E35-L37 VanDerWaalsContact C-N 3.29Å; E35-L37 PolarHBondContact O-N 3.23Å; E35-L38 PolarHBondContact O-N 3.48Å; E35-R39 WeakPolarHBondContact O-CG 3.11Å; E35-R39 PolarHBondContact O-N 2.84Å; E35-K94 IonicContact OE1-NZ 2.72Å; E35-K94 PolarHBondContact OE1-NZ 2.96Å; E35-K94 IonicContact OE2-NZ 2.64Å
36	P	80.2	Confident	79.4	Confident	91 Å²	91	61.4 Å²	61.4	59%	0.591	31%	0.308	S	S	*	.	H	α-helix	trans	-64.5	-28.7	176.6	-23	35.2	0	0	0	114.4	R34 R40	R34-P36 VanDerWaalsContact C-N 3.32Å; R34-P36 VanDerWaalsContact O-N 3.14Å; P36-R40 WeakPolarHBondContact O-CG 3.41Å; P36-R40 PolarHBondContact O-N 3.35Å
37	L	80.9	Confident	81.2	Confident	35 Å²	35	65.9 Å²	65.9	18%	0.183	32%	0.317	C	S	.	.	H	α-helix	trans	-77.4	-43.6	174.2	179.4	59.2	0	0	0	110.2	L33 R34 E35 R39 R40 L41 L121 L122	L33-L37 HydrophobicContact CD2-CD2 4.13Å; R34-L37 WeakPolarHBondContact O-CB 3.34Å; R34-L37 PolarHBondContact O-N 3.21Å; E35-L37 VanDerWaalsContact C-N 3.29Å; E35-L37 PolarHBondContact O-N 3.23Å; L37-R39 VanDerWaalsContact C-N 3.3Å; L37-R39 PolarHBondContact O-N 2.89Å; L37-R40 PolarHBondContact O-N 2.92Å; L37-L41 HydrophobicContact CD1-CD1 4.41Å; L37-L41 HydrophobicContact CD1-CG 4.31Å; L37-L41 HydrophobicContact CG-CD1 4.08Å; L37-L41 HydrophobicContact CG-CG 4.46Å; L37-L41 VanDerWaalsContact O-CG 3.25Å; L37-L41 WeakPolarHBondContact O-CG 3.19Å; L37-L41 PolarHBondContact O-N 3.15Å; L37-L121 HydrophobicContact CD1-CB 4.27Å; L37-L122 HydrophobicContact CD2-CD2 4.44Å
38	L	83.9	Confident	82.7	Confident	8 Å²	8	63.8 Å²	63.8	4%	0.042	29%	0.294	C	S	.	.	H	α-helix	trans	-57.2	-42	175.1	-74.4	170.5	0	0	0	112.3	L33 R34 E35 L41 S42 L90	L33-L38 HydrophobicContact CB-CD1 4.11Å; L33-L38 HydrophobicContact CB-CD2 3.89Å; L33-L38 HydrophobicContact CB-CG 3.72Å; L33-L38 HydrophobicContact CD1-CD2 3.76Å; L33-L38 HydrophobicContact CD1-CG 4.4Å; L33-L38 HydrophobicContact CG-CD2 4.37Å; R34-L38 PolarHBondContact O-N 3.42Å; R34-L38 VanDerWaalsContact O-N 3.13Å; E35-L38 PolarHBondContact O-N 3.48Å; L38-L41 PolarHBondContact O-N 3.48Å; L38-S42 WeakPolarHBondContact O-CB 3.23Å; L38-S42 PolarHBondContact O-N 3.5Å; L38-S42 PolarHBondContact O-OG 2.94Å; L38-S42 VanDerWaalsContact O-OG 3.1Å; L38-L90 HydrophobicContact CB-CD1 3.97Å
39	R	84.8	Confident	83.4	Confident	140 Å²	140	67.7 Å²	67.7	53%	0.528	32%	0.319	S	S	.	.	H	α-helix	trans	-62.5	-48.1	176	-73	-176.3	-172.7	-170.9	-0.9	112.8	E35 L37 L41 S42 E43	E35-R39 WeakPolarHBondContact O-CG 3.11Å; E35-R39 PolarHBondContact O-N 2.84Å; L37-R39 VanDerWaalsContact C-N 3.3Å; L37-R39 PolarHBondContact O-N 2.89Å; R39-L41 VanDerWaalsContact C-N 3.33Å; R39-L41 PolarHBondContact O-N 3.14Å; R39-S42 WeakPolarHBondContact CA-OG 3.46Å; R39-S42 PolarHBondContact O-N 3.26Å; R39-S42 VanDerWaalsContact O-N 3.14Å; R39-S42 PolarHBondContact O-OG 2.99Å; R39-E43 WeakPolarHBondContact O-CB 3.41Å; R39-E43 VanDerWaalsContact O-CG 3.23Å; R39-E43 WeakPolarHBondContact O-CG 3.31Å; R39-E43 PolarHBondContact O-N 3.25Å
40	R	83.1	Confident	83.2	Confident	115 Å²	115	75.5 Å²	75.5	43%	0.434	35%	0.352	S	S	.	.	H	α-helix	trans	-60.7	-41.5	176.7	-71.6	-178.5	69.1	-167	0.7	112.1	P36 L37 H44 L121	P36-R40 WeakPolarHBondContact O-CG 3.41Å; P36-R40 PolarHBondContact O-N 3.35Å; L37-R40 PolarHBondContact O-N 2.92Å; R40-H44 PolarHBondContact O-N 2.87Å; R40-H44 PolarHBondContact O-ND1 2.78Å; R40-L121 HydrophobicContact CB-CD1 4.32Å
41	L	87.2	Confident	83.1	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-61.7	-43.9	174.4	-66	167.3	0	0	0	111.4	L33 L37 L38 R39 L45 L93 L106 V118 L121 L122	L33-L41 HydrophobicContact CD1-CD1 3.94Å; L37-L41 HydrophobicContact CD1-CD1 4.41Å; L37-L41 HydrophobicContact CD1-CG 4.31Å; L37-L41 HydrophobicContact CG-CD1 4.08Å; L37-L41 HydrophobicContact CG-CG 4.46Å; L37-L41 VanDerWaalsContact O-CG 3.25Å; L37-L41 WeakPolarHBondContact O-CG 3.19Å; L37-L41 PolarHBondContact O-N 3.15Å; L38-L41 PolarHBondContact O-N 3.48Å; R39-L41 VanDerWaalsContact C-N 3.33Å; R39-L41 PolarHBondContact O-N 3.14Å; L41-L45 WeakPolarHBondContact O-CG 3.29Å; L41-L45 PolarHBondContact O-N 2.7Å; L41-L93 HydrophobicContact CB-CD1 4.15Å; L41-L106 HydrophobicContact CD1-CD2 4.48Å; L41-V118 HydrophobicContact CD2-CG1 3.47Å; L41-V118 VanDerWaalsContact CD2-CG1 3.47Å; L41-L121 HydrophobicContact CD2-CB 4.1Å; L41-L121 HydrophobicContact CD2-CD1 4.24Å; L41-L122 HydrophobicContact CD1-CD2 3.89Å; L41-L122 HydrophobicContact CD2-CD2 4.04Å; L41-L122 HydrophobicContact CD2-CG 4.19Å
42	S	90.1	Very high	83.5	Confident	4 Å²	4	78.4 Å²	78.4	3%	0.028	37%	0.373	C	S	.	.	H	α-helix	trans	-70.7	-37.6	-179.8	57.7	0	0	0	0	113.7	L38 R39 H44 L45 D46 S87 S89	L38-S42 WeakPolarHBondContact O-CB 3.23Å; L38-S42 PolarHBondContact O-N 3.5Å; L38-S42 PolarHBondContact O-OG 2.94Å; L38-S42 VanDerWaalsContact O-OG 3.1Å; R39-S42 WeakPolarHBondContact CA-OG 3.46Å; R39-S42 PolarHBondContact O-N 3.26Å; R39-S42 VanDerWaalsContact O-N 3.14Å; R39-S42 PolarHBondContact O-OG 2.99Å; S42-H44 VanDerWaalsContact C-N 3.33Å; S42-H44 PolarHBondContact O-N 2.75Å; S42-L45 PolarHBondContact O-N 3.1Å; S42-D46 WeakPolarHBondContact O-CB 3.31Å; S42-D46 PolarHBondContact O-N 2.71Å; S42-S87 WeakPolarHBondContact CB-OG 3.29Å; S42-S89 WeakPolarHBondContact O-CB 3.35Å; S42-S89 PolarHBondContact O-OG 3.23Å
43	E	88.7	Confident	84.1	Confident	90 Å²	90	69.7 Å²	69.7	42%	0.421	35%	0.345	S	S	.	.	H	α-helix	trans	-57.1	-45.7	175.9	-75.2	155.6	-161.6	0	0	111.3	R39 Q47	R39-E43 WeakPolarHBondContact O-CB 3.41Å; R39-E43 VanDerWaalsContact O-CG 3.23Å; R39-E43 WeakPolarHBondContact O-CG 3.31Å; R39-E43 PolarHBondContact O-N 3.25Å; E43-Q47 WeakPolarHBondContact O-CB 3.28Å; E43-Q47 VanDerWaalsContact O-CG 3.29Å; E43-Q47 WeakPolarHBondContact O-CG 3.02Å; E43-Q47 PolarHBondContact O-N 2.62Å; E43-Q47 VanDerWaalsContact O-N 3.16Å
44	H	88	Confident	84.6	Confident	60 Å²	60	70.4 Å²	70.4	28%	0.278	35%	0.346	S	S	.	.	H	α-helix	trans	-69.6	-39.4	179.5	-67.9	60	0	0	0	111.4	R40 S42 D46 Q47 A48 V118	R40-H44 PolarHBondContact O-N 2.87Å; R40-H44 PolarHBondContact O-ND1 2.78Å; S42-H44 VanDerWaalsContact C-N 3.33Å; S42-H44 PolarHBondContact O-N 2.75Å; H44-D46 PolarHBondContact O-N 3.23Å; H44-Q47 PolarHBondContact O-N 3Å; H44-A48 WeakPolarHBondContact O-CB 2.98Å; H44-A48 PolarHBondContact O-N 3Å; H44-V118 HydrophobicContact CB-CG2 3.49Å; H44-V118 VanDerWaalsContact CB-CG2 3.49Å
45	L	90.2	Very high	85.2	Confident	1 Å²	1	71.5 Å²	71.5	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-72.5	-23.2	179.2	-73.9	168.5	0	0	0	114.5	L41 S42 G53 W54 L57 S89 L93 L110 M113	L41-L45 WeakPolarHBondContact O-CG 3.29Å; L41-L45 PolarHBondContact O-N 2.7Å; S42-L45 PolarHBondContact O-N 3.1Å; L45-G53 WeakPolarHBondContact O-CA 3.47Å; L45-W54 PolarHBondContact O-N 3.42Å; L45-W54 VanDerWaalsContact O-N 3.17Å; L45-L57 HydrophobicContact CD1-CD2 3.7Å; L45-L57 HydrophobicContact CD2-CD2 4.25Å; L45-S89 VanDerWaalsContact CB-OG 3.22Å; L45-S89 WeakPolarHBondContact CB-OG 3.26Å; L45-S89 PolarHBondContact O-OG 2.68Å; L45-L93 HydrophobicContact CD1-CD1 4.22Å; L45-L93 HydrophobicContact CD1-CD2 4.48Å; L45-L110 HydrophobicContact CD2-CD2 4.02Å; L45-M113 HydrophobicContact CD2-CE 4.18Å
46	D	90.6	Very high	85.7	Confident	58 Å²	58	72.5 Å²	72.5	31%	0.31	35%	0.351	S	S	.	.	H	α-helix	trans	-82.1	-31.5	172.3	-76.4	-28.4	0	0	0	112.2	S42 H44 S87 S89	S42-D46 WeakPolarHBondContact O-CB 3.31Å; S42-D46 PolarHBondContact O-N 2.71Å; H44-D46 PolarHBondContact O-N 3.23Å; D46-S87 WeakPolarHBondContact OD2-CA 3.38Å; D46-S87 WeakPolarHBondContact OD2-CB 2.97Å; D46-S87 PolarHBondContact OD2-OG 2.71Å; D46-S89 PolarHBondContact N-OG 3.39Å; D46-S89 VanDerWaalsContact N-OG 3.16Å; D46-S89 WeakPolarHBondContact OD1-CB 3.42Å; D46-S89 PolarHBondContact OD1-N 3.19Å; D46-S89 PolarHBondContact OD1-OG 3.06Å
47	Q	86.8	Confident	86.2	Confident	162 Å²	162	68.2 Å²	68.2	76%	0.757	32%	0.323	S	S	*	.	H	α-helix	trans	-90.9	-7.5	179.7	-65.5	176.7	21.1	0	0	113.8	E43 H44	E43-Q47 WeakPolarHBondContact O-CB 3.28Å; E43-Q47 VanDerWaalsContact O-CG 3.29Å; E43-Q47 WeakPolarHBondContact O-CG 3.02Å; E43-Q47 PolarHBondContact O-N 2.62Å; E43-Q47 VanDerWaalsContact O-N 3.16Å; H44-Q47 PolarHBondContact O-N 3Å
48	A	85.3	Confident	86.7	Confident	20 Å²	20	67 Å²	67	17%	0.165	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-65.8	146.4	-176.6	0	0	0	0	0	113.1	H44 R52 H115	H44-A48 WeakPolarHBondContact O-CB 2.98Å; H44-A48 PolarHBondContact O-N 3Å; A48-R52 HydrophobicContact CB-CB 4.14Å; A48-R52 VanDerWaalsContact CB-O 3.28Å; A48-R52 WeakPolarHBondContact CB-O 3.47Å; A48-H115 WeakPolarHBondContact CB-NE2 3.28Å
49	P	79.4	Confident	87	Confident	89 Å²	89	72.4 Å²	72.4	58%	0.578	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-65.1	167.6	177.7	28.4	-35.9	0	0	0	112.6	G51 R52 G53	P49-G51 PolarHBondContact O-N 2.95Å; P49-R52 HydrophobicContact CG-CB 4.44Å; P49-R52 PolarHBondContact O-N 3.36Å; P49-G53 PolarHBondContact O-N 3.5Å
50	E	75.2	Confident	87.2	Confident	204 Å²	204	67.2 Å²	67.2	95%	0.953	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	136.5	177.4	-65.9	-163.6	152.3	0	0	111.7	R52	E50-R52 VanDerWaalsContact C-N 3.27Å; E50-R52 PolarHBondContact O-N 3.44Å
51	G	77.3	Confident	87.5	Confident	49 Å²	49	61.8 Å²	61.8	51%	0.505	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	-7.9	-172.7	0	0	0	0	0	115.5	P49 R56	P49-G51 PolarHBondContact O-N 2.95Å; G51-R56 WeakPolarHBondContact O-CG 3.15Å
52	R	84.6	Confident	87.4	Confident	94 Å²	94	62.7 Å²	62.7	36%	0.355	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	0.7	174.9	-63.2	-168.3	176.1	155.5	0.7	115	A48 P49 E50 M113 E114 H115	A48-R52 HydrophobicContact CB-CB 4.14Å; A48-R52 VanDerWaalsContact CB-O 3.28Å; A48-R52 WeakPolarHBondContact CB-O 3.47Å; P49-R52 HydrophobicContact CG-CB 4.44Å; P49-R52 PolarHBondContact O-N 3.36Å; E50-R52 VanDerWaalsContact C-N 3.27Å; E50-R52 PolarHBondContact O-N 3.44Å; R52-M113 VanDerWaalsContact C-CE 3.4Å; R52-M113 WeakPolarHBondContact CG-O 2.97Å; R52-M113 PolarHBondContact NE-O 3.23Å; R52-M113 WeakPolarHBondContact O-CE 3.16Å; R52-E114 IonicContact CZ-OE2 3.07Å; R52-E114 IonicContact NH2-OE2 3.41Å; R52-E114 PolarHBondContact NH2-OE2 2.69Å; R52-H115 PolarHBondContact O-CD2 2.67Å
53	G	88.8	Confident	87.1	Confident	15 Å²	15	67 Å²	67	16%	0.155	35%	0.345	C	S	.	.	S	Bend	trans	-82	174.2	174.1	0	0	0	0	0	115.8	L45 P49 R55 R56 L57	L45-G53 WeakPolarHBondContact O-CA 3.47Å; P49-G53 PolarHBondContact O-N 3.5Å; G53-R55 PolarHBondContact O-N 3.19Å; G53-R55 VanDerWaalsContact O-N 3.07Å; G53-R56 WeakPolarHBondContact O-CB 3.47Å; G53-R56 PolarHBondContact O-N 3.05Å; G53-L57 PolarHBondContact O-N 3.15Å
54	W	91.5	Very high	86.7	Confident	27 Å²	27	67 Å²	67	10%	0.102	34%	0.342	C	S	.	.	H	α-helix	trans	-52.7	-30.8	-177.9	69	-88.4	0	0	0	115.6	L45 R56 L57 A58 C77 P88 S89 L92	L45-W54 PolarHBondContact O-N 3.42Å; L45-W54 VanDerWaalsContact O-N 3.17Å; W54-R56 VanDerWaalsContact C-N 3.32Å; W54-R56 PolarHBondContact O-N 3.04Å; W54-L57 WeakPolarHBondContact O-CB 3.46Å; W54-L57 PolarHBondContact O-N 3.03Å; W54-A58 WeakPolarHBondContact O-CB 3.36Å; W54-A58 PolarHBondContact O-N 3.41Å; W54-C77 HydrophobicContact CH2-CB 4.06Å; W54-C77 HydrophobicContact CZ3-CB 3.79Å; W54-P88 HydrophobicContact CD2-CB 4.01Å; W54-P88 VanDerWaalsContact CE2-CB 3.45Å; W54-P88 HydrophobicContact CG-CB 4.43Å; W54-P88 HydrophobicContact CH2-CB 4.27Å; W54-P88 HydrophobicContact CZ2-CB 3.61Å; W54-P88 HydrophobicContact CZ2-CG 4.46Å; W54-S89 WeakPolarHBondContact CB-OG 3.47Å; W54-L92 HydrophobicContact CB-CD2 3.92Å; W54-L92 HydrophobicContact CE3-CB 4.47Å; W54-L92 HydrophobicContact CE3-CD2 4.25Å; W54-L92 VanDerWaalsContact O-CD2 3.27Å; W54-L92 WeakPolarHBondContact O-CD2 3.25Å
55	R	91.1	Very high	86.2	Confident	169 Å²	169	67 Å²	67	64%	0.638	36%	0.358	S	S	*	.	H	α-helix	trans	-62.8	-38.5	176.4	-68.7	-174.8	173.5	-177	-2.4	112.1	G53 A58 E59 S78	G53-R55 PolarHBondContact O-N 3.19Å; G53-R55 VanDerWaalsContact O-N 3.07Å; R55-A58 PolarHBondContact O-N 2.71Å; R55-E59 PolarHBondContact O-N 2.72Å; R55-E59 VanDerWaalsContact O-N 3.11Å; R55-S78 PolarHBondContact NH2-OG 3.39Å; R55-S78 VanDerWaalsContact NH2-OG 3.13Å
56	R	91.3	Very high	86	Confident	92 Å²	92	72.1 Å²	72.1	35%	0.347	38%	0.377	S	S	.	.	H	α-helix	trans	-70.4	-39	173.9	-176.9	61	168.9	173.6	1.5	111.4	G51 G53 W54 A58 E59 L60 M113	G51-R56 WeakPolarHBondContact O-CG 3.15Å; G53-R56 WeakPolarHBondContact O-CB 3.47Å; G53-R56 PolarHBondContact O-N 3.05Å; W54-R56 VanDerWaalsContact C-N 3.32Å; W54-R56 PolarHBondContact O-N 3.04Å; R56-A58 VanDerWaalsContact C-N 3.32Å; R56-A58 PolarHBondContact O-N 2.82Å; R56-E59 VanDerWaalsContact CD-OE2 3.27Å; R56-E59 WeakPolarHBondContact CD-OE2 3.41Å; R56-E59 IonicContact CZ-OE2 3.69Å; R56-E59 IonicContact NE-OE2 3.8Å; R56-E59 IonicContact NH1-OE1 3.34Å; R56-E59 PolarHBondContact NH1-OE1 2.68Å; R56-E59 IonicContact NH1-OE2 3.9Å; R56-E59 PolarHBondContact NH1-OE2 2.88Å; R56-E59 PolarHBondContact O-N 2.85Å; R56-L60 HydrophobicContact CG-CD1 4.12Å; R56-L60 HydrophobicContact CG-CG 4.44Å; R56-L60 WeakPolarHBondContact O-CB 3.5Å; R56-L60 WeakPolarHBondContact O-CG 3.37Å; R56-L60 PolarHBondContact O-N 2.9Å; R56-M113 HydrophobicContact CB-CE 4.46Å; R56-M113 HydrophobicContact CG-CB 4.45Å
57	L	91.9	Very high	85.9	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-60.1	-42.4	174.2	179.1	59.1	0	0	0	111.5	L45 G53 W54 L60 A61 L92 L93 M96 L106 F109 M113	L45-L57 HydrophobicContact CD1-CD2 3.7Å; L45-L57 HydrophobicContact CD2-CD2 4.25Å; G53-L57 PolarHBondContact O-N 3.15Å; W54-L57 WeakPolarHBondContact O-CB 3.46Å; W54-L57 PolarHBondContact O-N 3.03Å; L57-L60 PolarHBondContact O-N 3.36Å; L57-A61 VanDerWaalsContact O-CB 3.23Å; L57-A61 WeakPolarHBondContact O-CB 3.49Å; L57-A61 PolarHBondContact O-N 3.02Å; L57-L92 HydrophobicContact CB-CD2 4.25Å; L57-L92 HydrophobicContact CD2-CD2 4.18Å; L57-L92 HydrophobicContact CG-CD2 4.19Å; L57-L93 HydrophobicContact CD2-CD2 4.22Å; L57-M96 HydrophobicContact CD1-CE 4.39Å; L57-M96 HydrophobicContact CG-CE 4.44Å; L57-M96 HydrophobicContact CG-SD 4.3Å; L57-L106 HydrophobicContact CD1-CD1 4.02Å; L57-L106 HydrophobicContact CD2-CD1 3.95Å; L57-F109 HydrophobicContact CD1-CB 3.51Å; L57-F109 HydrophobicContact CD1-CD2 4.28Å; L57-F109 HydrophobicContact CD1-CG 4.24Å; L57-M113 HydrophobicContact CB-CE 4.28Å; L57-M113 HydrophobicContact CB-SD 4.12Å; L57-M113 HydrophobicContact CD1-SD 4.16Å
58	A	91.1	Very high	85.9	Confident	11 Å²	11	70.6 Å²	70.6	9%	0.091	36%	0.36	C	S	.	.	H	α-helix	trans	-65	-40.7	176.6	0	0	0	0	0	112.9	W54 R55 R56 G62 L74 L92	W54-A58 WeakPolarHBondContact O-CB 3.36Å; W54-A58 PolarHBondContact O-N 3.41Å; R55-A58 PolarHBondContact O-N 2.71Å; R56-A58 VanDerWaalsContact C-N 3.32Å; R56-A58 PolarHBondContact O-N 2.82Å; A58-G62 PolarHBondContact O-N 3.31Å; A58-L74 HydrophobicContact CB-CD2 3.79Å; A58-L92 HydrophobicContact CB-CD1 3.68Å; A58-L92 HydrophobicContact CB-CD2 3.95Å; A58-L92 HydrophobicContact CB-CG 4.49Å
59	E	89.9	Confident	86	Confident	120 Å²	120	70.7 Å²	70.7	56%	0.561	36%	0.358	S	S	*	.	H	α-helix	trans	-62	-49.9	174.6	-171.4	-163	164.1	0	0	111.4	R55 R56 G62 S63	R55-E59 PolarHBondContact O-N 2.72Å; R55-E59 VanDerWaalsContact O-N 3.11Å; R56-E59 VanDerWaalsContact CD-OE2 3.27Å; R56-E59 WeakPolarHBondContact CD-OE2 3.41Å; R56-E59 IonicContact CZ-OE2 3.69Å; R56-E59 IonicContact NE-OE2 3.8Å; R56-E59 IonicContact NH1-OE1 3.34Å; R56-E59 PolarHBondContact NH1-OE1 2.68Å; R56-E59 IonicContact NH1-OE2 3.9Å; R56-E59 PolarHBondContact NH1-OE2 2.88Å; R56-E59 PolarHBondContact O-N 2.85Å; E59-G62 PolarHBondContact O-N 2.93Å; E59-S63 PolarHBondContact O-N 2.84Å
60	L	89.8	Confident	86.5	Confident	31 Å²	31	69 Å²	69	16%	0.162	35%	0.348	C	S	.	.	H	α-helix	trans	-63.3	-43.2	177.9	-71.3	174.3	0	0	0	111.9	R56 L57 G62 S63 F109 A112 M113	R56-L60 HydrophobicContact CG-CD1 4.12Å; R56-L60 HydrophobicContact CG-CG 4.44Å; R56-L60 WeakPolarHBondContact O-CB 3.5Å; R56-L60 WeakPolarHBondContact O-CG 3.37Å; R56-L60 PolarHBondContact O-N 2.9Å; L57-L60 PolarHBondContact O-N 3.36Å; L60-G62 VanDerWaalsContact C-N 3.3Å; L60-G62 PolarHBondContact O-N 3.48Å; L60-S63 WeakPolarHBondContact O-CB 3.42Å; L60-S63 PolarHBondContact O-N 2.92Å; L60-S63 PolarHBondContact O-OG 3.06Å; L60-F109 HydrophobicContact CB-CD1 4.25Å; L60-A112 HydrophobicContact CD1-CB 4.37Å; L60-M113 HydrophobicContact CD1-CB 3.93Å
61	A	89.1	Confident	87	Confident	1 Å²	1	64 Å²	64	1%	0.008	33%	0.334	C	S	.	.	H	α-helix	trans	-60.2	-41.4	173.6	0	0	0	0	0	111.4	L57 S63 R64 L67 M96 F109	L57-A61 VanDerWaalsContact O-CB 3.23Å; L57-A61 WeakPolarHBondContact O-CB 3.49Å; L57-A61 PolarHBondContact O-N 3.02Å; A61-S63 PolarHBondContact O-N 3.15Å; A61-R64 PolarHBondContact O-N 2.96Å; A61-L67 HydrophobicContact CB-CB 4.27Å; A61-L67 HydrophobicContact CB-CD1 4.33Å; A61-M96 HydrophobicContact CB-CE 3.64Å; A61-M96 HydrophobicContact CB-SD 4.12Å; A61-F109 HydrophobicContact CB-CD2 4.37Å; A61-F109 HydrophobicContact CB-CE2 4.04Å; A61-F109 HydrophobicContact CB-CZ 4.27Å
62	G	85.1	Confident	87.6	Confident	20 Å²	20	66.5 Å²	66.5	21%	0.206	34%	0.336	C	S	.	.	H	α-helix	trans	-62.2	-21	178.7	0	0	0	0	0	115.2	A58 E59 L60 R64	A58-G62 PolarHBondContact O-N 3.31Å; E59-G62 PolarHBondContact O-N 2.93Å; L60-G62 VanDerWaalsContact C-N 3.3Å; L60-G62 PolarHBondContact O-N 3.48Å; G62-R64 VanDerWaalsContact C-N 3.29Å; G62-R64 PolarHBondContact O-N 2.82Å
63	S	82.6	Confident	87.8	Confident	94 Å²	94	63.9 Å²	63.9	66%	0.657	33%	0.329	S	S	*	.	H	α-helix	trans	-63.9	-33.2	170.9	75.8	0	0	0	0	112.5	E59 L60 A61 G65	E59-S63 PolarHBondContact O-N 2.84Å; L60-S63 WeakPolarHBondContact O-CB 3.42Å; L60-S63 PolarHBondContact O-N 2.92Å; L60-S63 PolarHBondContact O-OG 3.06Å; A61-S63 PolarHBondContact O-N 3.15Å; S63-G65 PolarHBondContact O-N 2.84Å
64	R	80.9	Confident	87.9	Confident	90 Å²	90	66 Å²	66	34%	0.34	34%	0.336	S	S	.	.	S	Bend	trans	-84	91.8	169.6	-61.8	-161.3	-169.4	-178.3	4.9	108.1	A61 G62 R66 L67 E105 D108 F109	A61-R64 PolarHBondContact O-N 2.96Å; G62-R64 VanDerWaalsContact C-N 3.29Å; G62-R64 PolarHBondContact O-N 2.82Å; R64-R66 PolarHBondContact O-N 2.94Å; R64-L67 PolarHBondContact O-N 3.38Å; R64-E105 IonicContact NH1-OE1 3.99Å; R64-E105 PolarHBondContact NH1-OE1 2.88Å; R64-D108 IonicContact CZ-OD2 2.61Å; R64-D108 IonicContact NH1-OD2 3.14Å; R64-D108 PolarHBondContact NH1-OD2 3.25Å; R64-D108 IonicContact NH2-OD2 3.44Å; R64-D108 PolarHBondContact NH2-OD2 2.98Å; R64-F109 HydrophobicContact CB-CZ 4.47Å; R64-F109 HydrophobicContact CG-CE1 4.08Å; R64-F109 HydrophobicContact CG-CZ 3.98Å
65	G	78.3	Confident	87.8	Confident	60 Å²	60	70.1 Å²	70.1	62%	0.619	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-46.5	-23.2	-165.7	0	0	0	0	0	118.9	S63 R68	S63-G65 PolarHBondContact O-N 2.84Å; G65-R68 WeakPolarHBondContact O-CB 3.42Å; G65-R68 PolarHBondContact O-N 3.42Å
66	R	86.5	Confident	87.7	Confident	109 Å²	109	66.8 Å²	66.8	41%	0.411	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-69.9	-26.7	171.9	71.9	-176	176.3	75.6	27	114.5	R64 G100 E105	R64-R66 PolarHBondContact O-N 2.94Å; R66-G100 PolarHBondContact NH1-O 2.82Å; R66-G100 VanDerWaalsContact NH1-O 3.08Å; R66-E105 IonicContact CZ-OE1 2.63Å; R66-E105 IonicContact CZ-OE2 3.65Å; R66-E105 IonicContact NE-OE1 3.79Å; R66-E105 IonicContact NH1-OE2 2.74Å; R66-E105 PolarHBondContact NH1-OE2 2.87Å; R66-E105 IonicContact NH2-OE1 3.5Å; R66-E105 PolarHBondContact NH2-OE1 3.01Å; R66-E105 IonicContact NH2-OE2 2.92Å; R66-E105 PolarHBondContact NH2-OE2 2.86Å
67	L	86.8	Confident	87.7	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.005	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-95.6	5.3	177	-61.6	-173.8	0	0	0	112.4	A61 R64 L69 K99 C101 F109	A61-L67 HydrophobicContact CB-CB 4.27Å; A61-L67 HydrophobicContact CB-CD1 4.33Å; R64-L67 PolarHBondContact O-N 3.38Å; L67-L69 PolarHBondContact O-N 3.33Å; L67-K99 HydrophobicContact CD2-CB 3.63Å; L67-C101 HydrophobicContact CD1-CB 3.87Å; L67-C101 HydrophobicContact CD2-CB 3.76Å; L67-C101 HydrophobicContact CG-CB 4.5Å; L67-F109 HydrophobicContact CD1-CE2 3.65Å; L67-F109 HydrophobicContact CD1-CZ 3.88Å
68	R	88.1	Confident	87.7	Confident	186 Å²	186	64.1 Å²	64.1	70%	0.702	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-67.2	117.1	178.6	-170.8	175.3	-178.9	178	1.9	110.4	G65	G65-R68 WeakPolarHBondContact O-CB 3.42Å; G65-R68 PolarHBondContact O-N 3.42Å
69	L	87.7	Confident	87.7	Confident	23 Å²	23	68.5 Å²	68.5	12%	0.12	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-89	151.2	174.3	-61.6	176.9	0	0	0	110.2	L67 D73 L74 L92 L95 K99	L67-L69 PolarHBondContact O-N 3.33Å; L69-D73 HydrophobicContact CB-CB 4.07Å; L69-D73 HydrophobicContact CD2-CB 4.41Å; L69-L74 HydrophobicContact CB-CD2 4.12Å; L69-L74 HydrophobicContact CB-CG 4.25Å; L69-L74 HydrophobicContact CD1-CD2 3.92Å; L69-L92 HydrophobicContact CD1-CD1 3.37Å; L69-L95 HydrophobicContact CD2-CB 4.25Å; L69-K99 HydrophobicContact CD2-CG 4.45Å
70	S	88.9	Confident	87.7	Confident	54 Å²	54	65.8 Å²	65.8	38%	0.378	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-80.6	164.1	173.7	72.2	0	0	0	0	111.2	L72 D73 L74	S70-L72 PolarHBondContact O-N 2.89Å; S70-D73 VanDerWaalsContact CB-OD2 3.29Å; S70-D73 WeakPolarHBondContact CB-OD2 3.4Å; S70-D73 PolarHBondContact N-OD2 3.17Å; S70-D73 PolarHBondContact O-N 3.05Å; S70-D73 VanDerWaalsContact O-N 3.16Å; S70-D73 PolarHBondContact OG-N 3.35Å; S70-D73 PolarHBondContact OG-OD2 3.31Å; S70-L74 PolarHBondContact O-N 2.79Å
71	C	85.8	Confident	87.7	Confident	98 Å²	98	69.1 Å²	69.1	66%	0.662	37%	0.373	S	S	*	.	H	α-helix	trans	-57.4	-37.4	174	-56.5	0	0	0	0	111.6	D73 L74 E75	C71-D73 PolarHBondContact O-N 2.95Å; C71-L74 PolarHBondContact O-N 2.81Å; C71-E75 WeakPolarHBondContact O-CB 3.49Å; C71-E75 WeakPolarHBondContact O-CG 3.37Å; C71-E75 PolarHBondContact O-N 2.81Å
72	L	89.3	Confident	87.6	Confident	102 Å²	102	75.5 Å²	75.5	53%	0.534	41%	0.406	S	S	.	.	H	α-helix	trans	-64.2	-39.7	177.8	-174.2	67	0	0	0	112.3	S70 L74 E75 Q76	S70-L72 PolarHBondContact O-N 2.89Å; L72-L74 VanDerWaalsContact C-N 3.35Å; L72-E75 PolarHBondContact O-N 3.27Å; L72-Q76 WeakPolarHBondContact O-CB 3.17Å; L72-Q76 VanDerWaalsContact O-CG 3.28Å; L72-Q76 WeakPolarHBondContact O-CG 3.42Å; L72-Q76 PolarHBondContact O-N 3.28Å
73	D	89.3	Confident	87.9	Confident	39 Å²	39	79.2 Å²	79.2	21%	0.209	42%	0.418	C	S	.	.	H	α-helix	trans	-64.5	-41.2	176.4	-57.2	-48.9	0	0	0	110.9	L69 S70 C71 Q76 C77 L95	L69-D73 HydrophobicContact CB-CB 4.07Å; L69-D73 HydrophobicContact CD2-CB 4.41Å; S70-D73 VanDerWaalsContact CB-OD2 3.29Å; S70-D73 WeakPolarHBondContact CB-OD2 3.4Å; S70-D73 PolarHBondContact N-OD2 3.17Å; S70-D73 PolarHBondContact O-N 3.05Å; S70-D73 VanDerWaalsContact O-N 3.16Å; S70-D73 PolarHBondContact OG-N 3.35Å; S70-D73 PolarHBondContact OG-OD2 3.31Å; C71-D73 PolarHBondContact O-N 2.95Å; D73-Q76 PolarHBondContact O-N 2.73Å; D73-C77 PolarHBondContact O-N 3.1Å; D73-C77 PolarHBondContact O-SG 3.17Å; D73-L95 HydrophobicContact CB-CD1 4.28Å
74	L	90.1	Very high	87.7	Confident	58 Å²	58	81.1 Å²	81.1	30%	0.304	43%	0.428	S	S	.	.	H	α-helix	trans	-71.9	-35.2	179	-62.9	177.1	0	0	0	112.7	A58 L69 S70 C71 L72 C77 S78 L92	A58-L74 HydrophobicContact CB-CD2 3.79Å; L69-L74 HydrophobicContact CB-CD2 4.12Å; L69-L74 HydrophobicContact CB-CG 4.25Å; L69-L74 HydrophobicContact CD1-CD2 3.92Å; S70-L74 PolarHBondContact O-N 2.79Å; C71-L74 PolarHBondContact O-N 2.81Å; L72-L74 VanDerWaalsContact C-N 3.35Å; L74-C77 PolarHBondContact O-N 3.37Å; L74-S78 WeakPolarHBondContact O-CB 3.32Å; L74-S78 PolarHBondContact O-N 3.48Å; L74-L92 HydrophobicContact CD2-CD1 4.34Å
75	E	89.4	Confident	87.7	Confident	114 Å²	114	85.8 Å²	85.8	53%	0.533	45%	0.454	S	S	.	.	H	α-helix	trans	-61.9	-45.9	169.8	-76.7	168.6	-169.1	0	0	110.7	C71 L72 C77 S78 L79	C71-E75 WeakPolarHBondContact O-CB 3.49Å; C71-E75 WeakPolarHBondContact O-CG 3.37Å; C71-E75 PolarHBondContact O-N 2.81Å; L72-E75 PolarHBondContact O-N 3.27Å; E75-C77 PolarHBondContact O-N 3.06Å; E75-S78 PolarHBondContact O-N 2.74Å; E75-S78 VanDerWaalsContact O-N 3.11Å; E75-L79 WeakPolarHBondContact O-CG 3.38Å; E75-L79 PolarHBondContact O-N 3.33Å
76	Q	90.3	Very high	88.1	Confident	100 Å²	100	84 Å²	84	47%	0.467	44%	0.435	S	S	.	.	H	α-helix	trans	-60.3	-42.1	175	-73.5	175.8	21.6	0	0	112.5	L72 D73 L79	L72-Q76 WeakPolarHBondContact O-CB 3.17Å; L72-Q76 VanDerWaalsContact O-CG 3.28Å; L72-Q76 WeakPolarHBondContact O-CG 3.42Å; L72-Q76 PolarHBondContact O-N 3.28Å; D73-Q76 PolarHBondContact O-N 2.73Å; Q76-L79 PolarHBondContact O-N 3.37Å
77	C	91.6	Very high	88.4	Confident	0 Å²	0	79.7 Å²	79.7	0%	0	42%	0.422	C	S	.	.	H	α-helix	trans	-60.5	-46	171	-64.7	0	0	0	0	111.7	W54 D73 L74 E75 L79 K80 P88 C91 L95	W54-C77 HydrophobicContact CH2-CB 4.06Å; W54-C77 HydrophobicContact CZ3-CB 3.79Å; D73-C77 PolarHBondContact O-N 3.1Å; D73-C77 PolarHBondContact O-SG 3.17Å; L74-C77 PolarHBondContact O-N 3.37Å; E75-C77 PolarHBondContact O-N 3.06Å; C77-L79 VanDerWaalsContact C-N 3.29Å; C77-L79 PolarHBondContact O-N 2.99Å; C77-K80 WeakPolarHBondContact O-CB 3.48Å; C77-K80 PolarHBondContact O-N 3.22Å; C77-K80 VanDerWaalsContact O-N 3.15Å; C77-P88 WeakPolarHBondContact O-CA 3.33Å; C77-P88 WeakPolarHBondContact O-CB 3.47Å; C77-C91 HydrophobicContact CB-CB 4.28Å; C77-L95 VanDerWaalsContact SG-CD1 3.59Å
78	S	90.9	Very high	88.7	Confident	36 Å²	36	80.2 Å²	80.2	25%	0.252	43%	0.426	S	S	.	.	H	α-helix	trans	-65.5	-31.5	-178	-157.5	0	0	0	0	112.7	R55 L74 E75 K80 V81	R55-S78 PolarHBondContact NH2-OG 3.39Å; R55-S78 VanDerWaalsContact NH2-OG 3.13Å; L74-S78 WeakPolarHBondContact O-CB 3.32Å; L74-S78 PolarHBondContact O-N 3.48Å; E75-S78 PolarHBondContact O-N 2.74Å; E75-S78 VanDerWaalsContact O-N 3.11Å; S78-K80 PolarHBondContact O-N 3.44Å; S78-V81 VanDerWaalsContact O-CG1 3.3Å; S78-V81 WeakPolarHBondContact O-CG1 3.43Å
79	L	91.4	Very high	88.9	Confident	102 Å²	102	71.4 Å²	71.4	53%	0.534	39%	0.392	S	S	.	.	H	α-helix	trans	-68.9	-17.8	176.7	-72.7	171.1	0	0	0	113.2	E75 Q76 C77 V81 L82	E75-L79 WeakPolarHBondContact O-CG 3.38Å; E75-L79 PolarHBondContact O-N 3.33Å; Q76-L79 PolarHBondContact O-N 3.37Å; C77-L79 VanDerWaalsContact C-N 3.29Å; C77-L79 PolarHBondContact O-N 2.99Å; L79-V81 PolarHBondContact O-N 3.16Å; L79-L82 HydrophobicContact CD2-CD1 3.86Å; L79-L82 WeakPolarHBondContact O-CB 3.44Å; L79-L82 WeakPolarHBondContact O-CG 3.46Å; L79-L82 PolarHBondContact O-N 3.33Å
80	K	90.4	Very high	89.1	Confident	63 Å²	63	71.4 Å²	71.4	27%	0.274	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-62.5	-21.1	177	-70.4	-55.8	-165.5	173.8	0	114.2	C77 S78 L82 E83 G86 C91	C77-K80 WeakPolarHBondContact O-CB 3.48Å; C77-K80 PolarHBondContact O-N 3.22Å; C77-K80 VanDerWaalsContact O-N 3.15Å; S78-K80 PolarHBondContact O-N 3.44Å; K80-L82 PolarHBondContact O-N 3.2Å; K80-L82 VanDerWaalsContact O-N 3.09Å; K80-E83 WeakPolarHBondContact CD-OE1 3.32Å; K80-E83 VanDerWaalsContact CD-OE2 3.32Å; K80-E83 WeakPolarHBondContact CD-OE2 3.43Å; K80-E83 IonicContact NZ-OE1 2.73Å; K80-E83 PolarHBondContact NZ-OE1 3.32Å; K80-E83 IonicContact NZ-OE2 3.9Å; K80-E83 PolarHBondContact NZ-OE2 2.95Å; K80-E83 PolarHBondContact O-N 3.48Å; K80-E83 VanDerWaalsContact O-N 3.08Å; K80-G86 CarbonylContact O-C 3.45Å; K80-G86 VanDerWaalsContact O-CA 3.28Å; K80-G86 WeakPolarHBondContact O-CA 3.36Å; K80-C91 HydrophobicContact CG-CB 3.94Å
81	V	89.1	Confident	89.2	Confident	101 Å²	101	70.1 Å²	70.1	61%	0.612	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-61.7	-15	172.6	79.6	0	0	0	0	113.6	S78 L79 P88	S78-V81 VanDerWaalsContact O-CG1 3.3Å; S78-V81 WeakPolarHBondContact O-CG1 3.43Å; L79-V81 PolarHBondContact O-N 3.16Å; V81-P88 HydrophobicContact CB-CG 4.19Å
82	L	87.9	Confident	89.6	Confident	136 Å²	136	65.5 Å²	65.5	71%	0.712	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-87.3	-8.7	177.9	-55	177.1	0	0	0	113.2	L79 K80	L79-L82 HydrophobicContact CD2-CD1 3.86Å; L79-L82 WeakPolarHBondContact O-CB 3.44Å; L79-L82 WeakPolarHBondContact O-CG 3.46Å; L79-L82 PolarHBondContact O-N 3.33Å; K80-L82 PolarHBondContact O-N 3.2Å; K80-L82 VanDerWaalsContact O-N 3.09Å
83	E	89.9	Confident	89.7	Confident	98 Å²	98	60.7 Å²	60.7	46%	0.458	33%	0.326	S	S	.	.	S	Bend	trans	-93.9	137.4	176.2	-67.2	172.2	-167.7	0	0	109.5	K80 E85 G86	K80-E83 WeakPolarHBondContact CD-OE1 3.32Å; K80-E83 VanDerWaalsContact CD-OE2 3.32Å; K80-E83 WeakPolarHBondContact CD-OE2 3.43Å; K80-E83 IonicContact NZ-OE1 2.73Å; K80-E83 PolarHBondContact NZ-OE1 3.32Å; K80-E83 IonicContact NZ-OE2 3.9Å; K80-E83 PolarHBondContact NZ-OE2 2.95Å; K80-E83 PolarHBondContact O-N 3.48Å; K80-E83 VanDerWaalsContact O-N 3.08Å; E83-E85 PolarHBondContact O-N 3.09Å; E83-G86 PolarHBondContact O-N 3.08Å
84	P	80.1	Confident	89.7	Confident	133 Å²	133	62.2 Å²	62.2	86%	0.864	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-26.7	-173.3	-28.4	35.5	0	0	0	116.1
85	E	80	Confident	89.8	Confident	188 Å²	188	61 Å²	61	88%	0.879	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.9	20.6	177.7	-61	-68.3	162.8	0	0	110.8	E83	E83-E85 PolarHBondContact O-N 3.09Å
86	G	85.7	Confident	89.9	Confident	22 Å²	22	55.7 Å²	55.7	23%	0.227	30%	0.3	C	S	.	.			trans	-89.4	126.2	-172.5	0	0	0	0	0	112.8	K80 E83	K80-G86 CarbonylContact O-C 3.45Å; K80-G86 VanDerWaalsContact O-CA 3.28Å; K80-G86 WeakPolarHBondContact O-CA 3.36Å; E83-G86 PolarHBondContact O-N 3.08Å
87	S	92.8	Very high	89.8	Confident	20 Å²	20	51 Å²	51	14%	0.14	28%	0.279	C	S	.	.			trans	-116	116.7	178.6	162.8	0	0	0	0	110.4	S42 D46 S89 L90 C91	S42-S87 WeakPolarHBondContact CB-OG 3.29Å; D46-S87 WeakPolarHBondContact OD2-CA 3.38Å; D46-S87 WeakPolarHBondContact OD2-CB 2.97Å; D46-S87 PolarHBondContact OD2-OG 2.71Å; S87-S89 VanDerWaalsContact C-N 3.29Å; S87-S89 PolarHBondContact O-N 2.94Å; S87-S89 PolarHBondContact OG-N 2.98Å; S87-L90 PolarHBondContact O-N 3.1Å; S87-L90 WeakPolarHBondContact OG-CB 3.31Å; S87-L90 PolarHBondContact OG-N 3.09Å; S87-C91 PolarHBondContact O-N 3.17Å
88	P	93.1	Very high	89.7	Confident	12 Å²	12	57.7 Å²	57.7	8%	0.078	31%	0.31	C	S	.	.	H	α-helix	trans	-56.5	-41.5	170.5	-27.2	36.5	0	0	0	112.6	W54 C77 V81 C91 L92	W54-P88 HydrophobicContact CD2-CB 4.01Å; W54-P88 VanDerWaalsContact CE2-CB 3.45Å; W54-P88 HydrophobicContact CG-CB 4.43Å; W54-P88 HydrophobicContact CH2-CB 4.27Å; W54-P88 HydrophobicContact CZ2-CB 3.61Å; W54-P88 HydrophobicContact CZ2-CG 4.46Å; C77-P88 WeakPolarHBondContact O-CA 3.33Å; C77-P88 WeakPolarHBondContact O-CB 3.47Å; V81-P88 HydrophobicContact CB-CG 4.19Å; P88-C91 WeakPolarHBondContact O-CB 3.5Å; P88-C91 PolarHBondContact O-N 3.03Å; P88-L92 WeakPolarHBondContact O-CB 3.24Å; P88-L92 PolarHBondContact O-N 3.42Å
89	S	92.9	Very high	89.6	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-60.9	-43.6	174.5	-65.2	0	0	0	0	113.1	S42 L45 D46 W54 S87 C91 L92 L93	S42-S89 WeakPolarHBondContact O-CB 3.35Å; S42-S89 PolarHBondContact O-OG 3.23Å; L45-S89 VanDerWaalsContact CB-OG 3.22Å; L45-S89 WeakPolarHBondContact CB-OG 3.26Å; L45-S89 PolarHBondContact O-OG 2.68Å; D46-S89 PolarHBondContact N-OG 3.39Å; D46-S89 VanDerWaalsContact N-OG 3.16Å; D46-S89 WeakPolarHBondContact OD1-CB 3.42Å; D46-S89 PolarHBondContact OD1-N 3.19Å; D46-S89 PolarHBondContact OD1-OG 3.06Å; W54-S89 WeakPolarHBondContact CB-OG 3.47Å; S87-S89 VanDerWaalsContact C-N 3.29Å; S87-S89 PolarHBondContact O-N 2.94Å; S87-S89 PolarHBondContact OG-N 2.98Å; S89-C91 VanDerWaalsContact C-N 3.33Å; S89-C91 PolarHBondContact O-N 3.39Å; S89-L92 PolarHBondContact O-N 3.37Å; S89-L93 WeakPolarHBondContact O-CB 3.31Å; S89-L93 VanDerWaalsContact O-CG 3.29Å; S89-L93 WeakPolarHBondContact O-CG 3.28Å; S89-L93 PolarHBondContact O-N 2.87Å
90	L	91.7	Very high	89.3	Confident	23 Å²	23	57.6 Å²	57.6	12%	0.12	31%	0.31	C	S	.	.	H	α-helix	trans	-67.3	-36.5	179.3	-172.2	61	0	0	0	111.5	L38 S87 K94	L38-L90 HydrophobicContact CB-CD1 3.97Å; S87-L90 PolarHBondContact O-N 3.1Å; S87-L90 WeakPolarHBondContact OG-CB 3.31Å; S87-L90 PolarHBondContact OG-N 3.09Å; L90-K94 HydrophobicContact CG-CD 4.3Å; L90-K94 WeakPolarHBondContact O-CB 3.24Å; L90-K94 VanDerWaalsContact O-CG 3.3Å; L90-K94 WeakPolarHBondContact O-CG 3.5Å; L90-K94 PolarHBondContact O-N 3.38Å; L90-K94 VanDerWaalsContact O-N 3.13Å
91	C	92.1	Very high	89.3	Confident	28 Å²	28	54.6 Å²	54.6	19%	0.189	30%	0.297	C	S	.	.	H	α-helix	trans	-63.5	-47.5	173.2	-168.2	0	0	0	0	111	C77 K80 S87 P88 S89 K94 L95	C77-C91 HydrophobicContact CB-CB 4.28Å; K80-C91 HydrophobicContact CG-CB 3.94Å; S87-C91 PolarHBondContact O-N 3.17Å; P88-C91 WeakPolarHBondContact O-CB 3.5Å; P88-C91 PolarHBondContact O-N 3.03Å; S89-C91 VanDerWaalsContact C-N 3.33Å; S89-C91 PolarHBondContact O-N 3.39Å; C91-K94 PolarHBondContact O-N 2.76Å; C91-L95 WeakPolarHBondContact O-CG 3.34Å; C91-L95 PolarHBondContact O-N 2.87Å
92	L	93.1	Very high	89.2	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-58.4	-49.7	175.8	179.3	72.3	0	0	0	112	W54 L57 A58 L69 L74 P88 S89 K94 L95 M96	W54-L92 HydrophobicContact CB-CD2 3.92Å; W54-L92 HydrophobicContact CE3-CB 4.47Å; W54-L92 HydrophobicContact CE3-CD2 4.25Å; W54-L92 VanDerWaalsContact O-CD2 3.27Å; W54-L92 WeakPolarHBondContact O-CD2 3.25Å; L57-L92 HydrophobicContact CB-CD2 4.25Å; L57-L92 HydrophobicContact CD2-CD2 4.18Å; L57-L92 HydrophobicContact CG-CD2 4.19Å; A58-L92 HydrophobicContact CB-CD1 3.68Å; A58-L92 HydrophobicContact CB-CD2 3.95Å; A58-L92 HydrophobicContact CB-CG 4.49Å; L69-L92 HydrophobicContact CD1-CD1 3.37Å; L74-L92 HydrophobicContact CD2-CD1 4.34Å; P88-L92 WeakPolarHBondContact O-CB 3.24Å; P88-L92 PolarHBondContact O-N 3.42Å; S89-L92 PolarHBondContact O-N 3.37Å; L92-K94 VanDerWaalsContact C-N 3.29Å; L92-K94 PolarHBondContact O-N 2.8Å; L92-L95 PolarHBondContact O-N 2.91Å; L92-M96 HydrophobicContact CD1-CG 4.32Å; L92-M96 HydrophobicContact CD1-SD 4.17Å; L92-M96 HydrophobicContact CD2-SD 4.1Å; L92-M96 HydrophobicContact CG-CG 4.33Å; L92-M96 HydrophobicContact CG-SD 3.79Å; L92-M96 WeakPolarHBondContact O-CB 3.46Å; L92-M96 WeakPolarHBondContact O-CG 3.4Å; L92-M96 PolarHBondContact O-N 2.92Å
93	L	91.8	Very high	89	Confident	1 Å²	1	45 Å²	45	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-61.5	-36.4	-178.6	-72.9	172.8	0	0	0	112.2	L30 L41 L45 L57 S89 G97 L106	L30-L93 HydrophobicContact CD1-CD2 4.25Å; L41-L93 HydrophobicContact CB-CD1 4.15Å; L45-L93 HydrophobicContact CD1-CD1 4.22Å; L45-L93 HydrophobicContact CD1-CD2 4.48Å; L57-L93 HydrophobicContact CD2-CD2 4.22Å; S89-L93 WeakPolarHBondContact O-CB 3.31Å; S89-L93 VanDerWaalsContact O-CG 3.29Å; S89-L93 WeakPolarHBondContact O-CG 3.28Å; S89-L93 PolarHBondContact O-N 2.87Å; L93-G97 PolarHBondContact O-N 2.92Å; L93-L106 HydrophobicContact CD2-CD1 3.94Å; L93-L106 HydrophobicContact CD2-CD2 4.07Å
94	K	90.1	Very high	88.5	Confident	72 Å²	72	43.2 Å²	43.2	31%	0.313	24%	0.24	S	C	.	.	H	α-helix	trans	-67.6	-47.1	174.9	-73.8	173.8	178.9	177.1	0	111.4	N31 E35 L90 C91 L92 M96 G97 E98	N31-K94 PolarHBondContact OD1-O 2.64Å; E35-K94 IonicContact OE1-NZ 2.72Å; E35-K94 PolarHBondContact OE1-NZ 2.96Å; E35-K94 IonicContact OE2-NZ 2.64Å; L90-K94 HydrophobicContact CG-CD 4.3Å; L90-K94 WeakPolarHBondContact O-CB 3.24Å; L90-K94 VanDerWaalsContact O-CG 3.3Å; L90-K94 WeakPolarHBondContact O-CG 3.5Å; L90-K94 PolarHBondContact O-N 3.38Å; L90-K94 VanDerWaalsContact O-N 3.13Å; C91-K94 PolarHBondContact O-N 2.76Å; L92-K94 VanDerWaalsContact C-N 3.29Å; L92-K94 PolarHBondContact O-N 2.8Å; K94-M96 PolarHBondContact O-N 2.86Å; K94-G97 PolarHBondContact O-N 2.88Å; K94-G97 VanDerWaalsContact O-N 3.16Å; K94-E98 WeakPolarHBondContact O-CG 3.35Å; K94-E98 PolarHBondContact O-N 2.84Å
95	L	91	Very high	88.9	Confident	33 Å²	33	38.4 Å²	38.4	17%	0.173	21%	0.206	C	C	.	.	H	α-helix	trans	-61.8	-41.9	174.7	-69.2	177.1	0	0	0	112.6	L69 D73 C77 C91 L92 G97 E98 K99	L69-L95 HydrophobicContact CD2-CB 4.25Å; D73-L95 HydrophobicContact CB-CD1 4.28Å; C77-L95 VanDerWaalsContact SG-CD1 3.59Å; C91-L95 WeakPolarHBondContact O-CG 3.34Å; C91-L95 PolarHBondContact O-N 2.87Å; L92-L95 PolarHBondContact O-N 2.91Å; L95-G97 VanDerWaalsContact C-N 3.31Å; L95-G97 PolarHBondContact O-N 3.13Å; L95-E98 PolarHBondContact O-N 2.83Å; L95-K99 WeakPolarHBondContact O-CG 3.36Å; L95-K99 PolarHBondContact O-N 3Å
96	M	91.7	Very high	89.3	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-61.5	-39.9	174.4	-74	176.2	62.4	0	0	111.5	L30 L57 A61 L92 K94 K99 G100 C101 F109	L30-M96 HydrophobicContact CD1-CB 4.13Å; L57-M96 HydrophobicContact CD1-CE 4.39Å; L57-M96 HydrophobicContact CG-CE 4.44Å; L57-M96 HydrophobicContact CG-SD 4.3Å; A61-M96 HydrophobicContact CB-CE 3.64Å; A61-M96 HydrophobicContact CB-SD 4.12Å; L92-M96 HydrophobicContact CD1-CG 4.32Å; L92-M96 HydrophobicContact CD1-SD 4.17Å; L92-M96 HydrophobicContact CD2-SD 4.1Å; L92-M96 HydrophobicContact CG-CG 4.33Å; L92-M96 HydrophobicContact CG-SD 3.79Å; L92-M96 WeakPolarHBondContact O-CB 3.46Å; L92-M96 WeakPolarHBondContact O-CG 3.4Å; L92-M96 PolarHBondContact O-N 2.92Å; K94-M96 PolarHBondContact O-N 2.86Å; M96-K99 CarbonylContact O-C 3.53Å; M96-K99 PolarHBondContact O-N 3.21Å; M96-G100 PolarHBondContact O-N 3.44Å; M96-C101 HydrophobicContact CB-CB 4.03Å; M96-C101 WeakPolarHBondContact O-CB 3.47Å; M96-C101 PolarHBondContact O-N 3.44Å; M96-F109 HydrophobicContact CE-CD2 4.06Å; M96-F109 HydrophobicContact CE-CE2 4.15Å
97	G	88.5	Confident	89.3	Confident	3 Å²	3	29.7 Å²	29.7	3%	0.031	16%	0.162	C	C	.	.	H	α-helix	trans	-67.5	-36.3	174.7	0	0	0	0	0	113.8	T29 N31 L93 K94 L95 K99 G100	T29-G97 VanDerWaalsContact CG2-O 3.27Å; T29-G97 WeakPolarHBondContact CG2-O 3.23Å; N31-G97 VanDerWaalsContact ND2-C 3.28Å; N31-G97 WeakPolarHBondContact OD1-CA 3.42Å; L93-G97 PolarHBondContact O-N 2.92Å; K94-G97 PolarHBondContact O-N 2.88Å; K94-G97 VanDerWaalsContact O-N 3.16Å; L95-G97 VanDerWaalsContact C-N 3.31Å; L95-G97 PolarHBondContact O-N 3.13Å; G97-K99 VanDerWaalsContact C-N 3.33Å; G97-G100 WeakPolarHBondContact O-CA 3.47Å; G97-G100 PolarHBondContact O-N 2.96Å
98	E	89.4	Confident	88.9	Confident	139 Å²	139	32.1 Å²	32.1	65%	0.65	17%	0.174	S	C	*	.	H	α-helix	trans	-64.7	-35.9	172	-72.4	173.3	-171.5	0	0	112.1	N31 K94 L95 G100	N31-E98 PolarHBondContact ND2-N 3.03Å; K94-E98 WeakPolarHBondContact O-CG 3.35Å; K94-E98 PolarHBondContact O-N 2.84Å; L95-E98 PolarHBondContact O-N 2.83Å; E98-G100 PolarHBondContact O-N 2.84Å
99	K	88.5	Confident	88.8	Confident	105 Å²	105	32 Å²	32	46%	0.457	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	6.7	169.9	-60.1	-72.2	-179	173	0	113.5	L67 L69 L95 M96 G97	L67-K99 HydrophobicContact CD2-CB 3.63Å; L69-K99 HydrophobicContact CD2-CG 4.45Å; L95-K99 WeakPolarHBondContact O-CG 3.36Å; L95-K99 PolarHBondContact O-N 3Å; M96-K99 CarbonylContact O-C 3.53Å; M96-K99 PolarHBondContact O-N 3.21Å; G97-K99 VanDerWaalsContact C-N 3.33Å
100	G	86.3	Confident	88.6	Confident	31 Å²	31	32 Å²	32	32%	0.32	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	24.9	174.2	0	0	0	0	0	114.9	R66 M96 G97 E98	R66-G100 PolarHBondContact NH1-O 2.82Å; R66-G100 VanDerWaalsContact NH1-O 3.08Å; M96-G100 PolarHBondContact O-N 3.44Å; G97-G100 WeakPolarHBondContact O-CA 3.47Å; G97-G100 PolarHBondContact O-N 2.96Å; E98-G100 PolarHBondContact O-N 2.84Å
101	C	89.2	Confident	88.4	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.			trans	-63.4	132.5	170.2	-171.6	0	0	0	0	110.7	T29 L30 L67 M96	T29-C101 WeakPolarHBondContact CA-O 3.36Å; L30-C101 HydrophobicContact CD1-CB 3.87Å; L30-C101 HydrophobicContact CG-CB 4.42Å; L30-C101 PolarHBondContact N-O 2.83Å; L67-C101 HydrophobicContact CD1-CB 3.87Å; L67-C101 HydrophobicContact CD2-CB 3.76Å; L67-C101 HydrophobicContact CG-CB 4.5Å; M96-C101 HydrophobicContact CB-CB 4.03Å; M96-C101 WeakPolarHBondContact O-CB 3.47Å; M96-C101 PolarHBondContact O-N 3.44Å
102	T	87.1	Confident	88.1	Confident	27 Å²	27	39 Å²	39	17%	0.166	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-91.2	166.1	174.6	70.1	0	0	0	0	112.3	A28 T104 E105 L106	A28-T102 CarbonylContact O-C 3.51Å; A28-T102 VanDerWaalsContact O-CA 3.22Å; A28-T102 WeakPolarHBondContact O-CA 3.48Å; A28-T102 WeakPolarHBondContact O-CB 3.32Å; T102-T104 VanDerWaalsContact C-N 3.26Å; T102-T104 PolarHBondContact O-N 2.84Å; T102-T104 PolarHBondContact OG1-N 2.99Å; T102-T104 PolarHBondContact OG1-OG1 2.94Å; T102-E105 PolarHBondContact N-OE2 2.92Å; T102-E105 PolarHBondContact O-N 2.97Å; T102-E105 VanDerWaalsContact OG1-CG 3.27Å; T102-E105 WeakPolarHBondContact OG1-CG 3.19Å; T102-E105 PolarHBondContact OG1-N 2.94Å; T102-E105 VanDerWaalsContact OG1-N 3.15Å; T102-L106 PolarHBondContact O-N 2.84Å
103	V	83.2	Confident	87.8	Confident	8 Å²	8	39.4 Å²	39.4	5%	0.048	22%	0.215	C	C	.	.	H	α-helix	trans	-59.6	-37.9	171.5	179.8	0	0	0	0	111.5	P24 A28 L33 L106 S107 L122	P24-V103 HydrophobicContact CB-CG2 4.4Å; P24-V103 HydrophobicContact CG-CG2 4.41Å; A28-V103 HydrophobicContact CB-CG2 4.23Å; A28-V103 PolarHBondContact O-N 3.19Å; L33-V103 HydrophobicContact CD1-CG2 4.31Å; L33-V103 HydrophobicContact CD2-CG2 3.56Å; L33-V103 HydrophobicContact CG-CG2 4.04Å; V103-L106 PolarHBondContact O-N 3.11Å; V103-S107 PolarHBondContact O-N 2.92Å; V103-S107 PolarHBondContact O-OG 2.8Å; V103-S107 VanDerWaalsContact O-OG 3.05Å; V103-L122 HydrophobicContact CG1-CD1 4.37Å; V103-L122 HydrophobicContact CG1-CD2 4.15Å
104	T	81.3	Confident	87.5	Confident	61 Å²	61	45.4 Å²	45.4	37%	0.374	24%	0.243	S	C	.	.	H	α-helix	trans	-61.3	-44.6	174.4	21.9	0	0	0	0	112.2	A26 T102 S107 D108	A26-T104 HydrophobicContact CB-CG2 4.07Å; A26-T104 WeakPolarHBondContact O-CG2 3.29Å; A26-T104 PolarHBondContact O-OG1 2.93Å; T102-T104 VanDerWaalsContact C-N 3.26Å; T102-T104 PolarHBondContact O-N 2.84Å; T102-T104 PolarHBondContact OG1-N 2.99Å; T102-T104 PolarHBondContact OG1-OG1 2.94Å; T104-S107 WeakPolarHBondContact O-CB 3.36Å; T104-S107 PolarHBondContact O-N 3.16Å; T104-S107 VanDerWaalsContact O-N 3.16Å; T104-D108 PolarHBondContact O-N 3.08Å
105	E	86.6	Confident	87.2	Confident	32 Å²	32	42.7 Å²	42.7	15%	0.15	23%	0.231	C	C	.	.	H	α-helix	trans	-72	-33.9	180	-62.1	-178.7	116.9	0	0	112.4	R64 R66 T102 S107 D108 F109	R64-E105 IonicContact NH1-OE1 3.99Å; R64-E105 PolarHBondContact NH1-OE1 2.88Å; R66-E105 IonicContact CZ-OE1 2.63Å; R66-E105 IonicContact CZ-OE2 3.65Å; R66-E105 IonicContact NE-OE1 3.79Å; R66-E105 IonicContact NH1-OE2 2.74Å; R66-E105 PolarHBondContact NH1-OE2 2.87Å; R66-E105 IonicContact NH2-OE1 3.5Å; R66-E105 PolarHBondContact NH2-OE1 3.01Å; R66-E105 IonicContact NH2-OE2 2.92Å; R66-E105 PolarHBondContact NH2-OE2 2.86Å; T102-E105 PolarHBondContact N-OE2 2.92Å; T102-E105 PolarHBondContact O-N 2.97Å; T102-E105 VanDerWaalsContact OG1-CG 3.27Å; T102-E105 WeakPolarHBondContact OG1-CG 3.19Å; T102-E105 PolarHBondContact OG1-N 2.94Å; T102-E105 VanDerWaalsContact OG1-N 3.15Å; E105-S107 VanDerWaalsContact C-N 3.33Å; E105-D108 WeakPolarHBondContact O-CB 3.32Å; E105-D108 PolarHBondContact O-N 3.21Å; E105-F109 HydrophobicContact CB-CE2 4.33Å; E105-F109 WeakPolarHBondContact O-CD2 3.32Å; E105-F109 WeakPolarHBondContact O-CE2 3.31Å; E105-F109 VanDerWaalsContact O-CG 3.29Å; E105-F109 WeakPolarHBondContact O-CG 3.41Å; E105-F109 PolarHBondContact O-N 2.94Å; E105-F109 VanDerWaalsContact O-N 3.12Å
106	L	88.5	Confident	86.5	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-59.7	-44.9	167.2	178.2	63.5	0	0	0	110.9	L30 L41 L57 L93 T102 V103 D108 F109 L110 L122	L30-L106 HydrophobicContact CD1-CB 4.42Å; L30-L106 HydrophobicContact CD1-CD2 4.5Å; L30-L106 HydrophobicContact CD2-CB 4.06Å; L30-L106 HydrophobicContact CD2-CD2 3.52Å; L30-L106 HydrophobicContact CD2-CG 4.37Å; L41-L106 HydrophobicContact CD1-CD2 4.48Å; L57-L106 HydrophobicContact CD1-CD1 4.02Å; L57-L106 HydrophobicContact CD2-CD1 3.95Å; L93-L106 HydrophobicContact CD2-CD1 3.94Å; L93-L106 HydrophobicContact CD2-CD2 4.07Å; T102-L106 PolarHBondContact O-N 2.84Å; V103-L106 PolarHBondContact O-N 3.11Å; L106-D108 PolarHBondContact O-N 3.18Å; L106-F109 PolarHBondContact O-N 3.44Å; L106-L110 HydrophobicContact CD1-CD1 4.11Å; L106-L110 HydrophobicContact CD1-CG 4.02Å; L106-L110 HydrophobicContact CD2-CD1 4.25Å; L106-L110 HydrophobicContact CG-CD1 3.77Å; L106-L110 HydrophobicContact CG-CG 4.15Å; L106-L110 WeakPolarHBondContact O-CB 3.3Å; L106-L110 VanDerWaalsContact O-CG 3.28Å; L106-L110 WeakPolarHBondContact O-CG 3.45Å; L106-L110 PolarHBondContact O-N 2.81Å; L106-L122 HydrophobicContact CD2-CD1 4.14Å; L106-L122 HydrophobicContact CG-CD1 4.39Å
107	S	85.9	Confident	85.8	Confident	27 Å²	27	51.1 Å²	51.1	19%	0.189	28%	0.276	C	S	.	.	H	α-helix	trans	-59.6	-42.9	176.4	-63.3	0	0	0	0	112.4	V103 T104 E105 F109 L110 Q111	V103-S107 PolarHBondContact O-N 2.92Å; V103-S107 PolarHBondContact O-OG 2.8Å; V103-S107 VanDerWaalsContact O-OG 3.05Å; T104-S107 WeakPolarHBondContact O-CB 3.36Å; T104-S107 PolarHBondContact O-N 3.16Å; T104-S107 VanDerWaalsContact O-N 3.16Å; E105-S107 VanDerWaalsContact C-N 3.33Å; S107-F109 VanDerWaalsContact C-N 3.33Å; S107-F109 PolarHBondContact O-N 3.44Å; S107-L110 PolarHBondContact O-N 3.46Å; S107-Q111 WeakPolarHBondContact O-CB 3.41Å; S107-Q111 PolarHBondContact O-N 3.17Å
108	D	85.6	Confident	85.3	Confident	71 Å²	71	51 Å²	51	38%	0.38	28%	0.275	S	S	.	.	H	α-helix	trans	-56.1	-46.3	174.2	-63.2	-19	0	0	0	111.4	R64 T104 E105 L106 Q111 A112	R64-D108 IonicContact CZ-OD2 2.61Å; R64-D108 IonicContact NH1-OD2 3.14Å; R64-D108 PolarHBondContact NH1-OD2 3.25Å; R64-D108 IonicContact NH2-OD2 3.44Å; R64-D108 PolarHBondContact NH2-OD2 2.98Å; T104-D108 PolarHBondContact O-N 3.08Å; E105-D108 WeakPolarHBondContact O-CB 3.32Å; E105-D108 PolarHBondContact O-N 3.21Å; L106-D108 PolarHBondContact O-N 3.18Å; D108-Q111 PolarHBondContact O-N 3.39Å; D108-A112 WeakPolarHBondContact O-CB 3.48Å; D108-A112 PolarHBondContact O-N 3.16Å
109	F	90.2	Very high	84.8	Confident	8 Å²	8	46.4 Å²	46.4	4%	0.035	25%	0.254	C	S	.	.	H	α-helix	trans	-69	-42.8	-179.5	-58.3	-46.5	0	0	0	112.3	L57 L60 A61 R64 L67 M96 E105 L106 S107 Q111 A112 M113	L57-F109 HydrophobicContact CD1-CB 3.51Å; L57-F109 HydrophobicContact CD1-CD2 4.28Å; L57-F109 HydrophobicContact CD1-CG 4.24Å; L60-F109 HydrophobicContact CB-CD1 4.25Å; A61-F109 HydrophobicContact CB-CD2 4.37Å; A61-F109 HydrophobicContact CB-CE2 4.04Å; A61-F109 HydrophobicContact CB-CZ 4.27Å; R64-F109 HydrophobicContact CB-CZ 4.47Å; R64-F109 HydrophobicContact CG-CE1 4.08Å; R64-F109 HydrophobicContact CG-CZ 3.98Å; L67-F109 HydrophobicContact CD1-CE2 3.65Å; L67-F109 HydrophobicContact CD1-CZ 3.88Å; M96-F109 HydrophobicContact CE-CD2 4.06Å; M96-F109 HydrophobicContact CE-CE2 4.15Å; E105-F109 HydrophobicContact CB-CE2 4.33Å; E105-F109 WeakPolarHBondContact O-CD2 3.32Å; E105-F109 WeakPolarHBondContact O-CE2 3.31Å; E105-F109 VanDerWaalsContact O-CG 3.29Å; E105-F109 WeakPolarHBondContact O-CG 3.41Å; E105-F109 PolarHBondContact O-N 2.94Å; E105-F109 VanDerWaalsContact O-N 3.12Å; L106-F109 PolarHBondContact O-N 3.44Å; S107-F109 VanDerWaalsContact C-N 3.33Å; S107-F109 PolarHBondContact O-N 3.44Å; F109-Q111 VanDerWaalsContact C-N 3.27Å; F109-Q111 PolarHBondContact O-N 2.79Å; F109-A112 PolarHBondContact O-N 3.34Å; F109-M113 VanDerWaalsContact O-CG 3.26Å; F109-M113 WeakPolarHBondContact O-CG 3.49Å; F109-M113 PolarHBondContact O-N 3.2Å; F109-M113 VanDerWaalsContact O-N 3.08Å
110	L	89.1	Confident	84	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62	-35.7	176.1	-70.7	172.8	0	0	0	111.9	L45 L106 S107 M113 E114 H115 V118 L119 L122	L45-L110 HydrophobicContact CD2-CD2 4.02Å; L106-L110 HydrophobicContact CD1-CD1 4.11Å; L106-L110 HydrophobicContact CD1-CG 4.02Å; L106-L110 HydrophobicContact CD2-CD1 4.25Å; L106-L110 HydrophobicContact CG-CD1 3.77Å; L106-L110 HydrophobicContact CG-CG 4.15Å; L106-L110 WeakPolarHBondContact O-CB 3.3Å; L106-L110 VanDerWaalsContact O-CG 3.28Å; L106-L110 WeakPolarHBondContact O-CG 3.45Å; L106-L110 PolarHBondContact O-N 2.81Å; S107-L110 PolarHBondContact O-N 3.46Å; L110-M113 HydrophobicContact CD2-SD 4.08Å; L110-M113 WeakPolarHBondContact O-CG 3.43Å; L110-E114 PolarHBondContact O-N 3.48Å; L110-H115 HydrophobicContact CD2-CB 4.48Å; L110-H115 PolarHBondContact O-N 2.83Å; L110-V118 HydrophobicContact CD1-CB 4.29Å; L110-V118 HydrophobicContact CD1-CG1 3.65Å; L110-V118 HydrophobicContact CD2-CB 4.13Å; L110-V118 HydrophobicContact CD2-CG1 3.75Å; L110-V118 HydrophobicContact CG-CG1 4.36Å; L110-L119 HydrophobicContact CB-CD1 4.37Å; L110-L122 HydrophobicContact CD1-CD1 3.84Å
111	Q	86.4	Confident	83.4	Confident	130 Å²	130	48.7 Å²	48.7	61%	0.607	26%	0.26	S	S	*	.	H	α-helix	trans	-70.1	-42	173.1	-174.3	170.9	-3	0	0	111.8	S107 D108 F109 M113 E114 L119	S107-Q111 WeakPolarHBondContact O-CB 3.41Å; S107-Q111 PolarHBondContact O-N 3.17Å; D108-Q111 PolarHBondContact O-N 3.39Å; F109-Q111 VanDerWaalsContact C-N 3.27Å; F109-Q111 PolarHBondContact O-N 2.79Å; Q111-M113 PolarHBondContact O-N 3.43Å; Q111-E114 PolarHBondContact O-N 3.18Å; Q111-L119 HydrophobicContact CB-CD2 4.32Å
112	A	85.8	Confident	82.6	Confident	68 Å²	68	49.4 Å²	49.4	56%	0.562	26%	0.263	S	S	*	.	H	α-helix	trans	-67	-17.6	177.7	0	0	0	0	0	114.4	L60 D108 F109	L60-A112 HydrophobicContact CD1-CB 4.37Å; D108-A112 WeakPolarHBondContact O-CB 3.48Å; D108-A112 PolarHBondContact O-N 3.16Å; F109-A112 PolarHBondContact O-N 3.34Å
113	M	88.1	Confident	81.6	Confident	10 Å²	10	51.9 Å²	51.9	5%	0.049	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	11.3	170.3	66.1	-162	-72	0	0	113.3	L45 R52 R56 L57 L60 F109 L110 Q111 H115	L45-M113 HydrophobicContact CD2-CE 4.18Å; R52-M113 VanDerWaalsContact C-CE 3.4Å; R52-M113 WeakPolarHBondContact CG-O 2.97Å; R52-M113 PolarHBondContact NE-O 3.23Å; R52-M113 WeakPolarHBondContact O-CE 3.16Å; R56-M113 HydrophobicContact CB-CE 4.46Å; R56-M113 HydrophobicContact CG-CB 4.45Å; L57-M113 HydrophobicContact CB-CE 4.28Å; L57-M113 HydrophobicContact CB-SD 4.12Å; L57-M113 HydrophobicContact CD1-SD 4.16Å; L60-M113 HydrophobicContact CD1-CB 3.93Å; F109-M113 VanDerWaalsContact O-CG 3.26Å; F109-M113 WeakPolarHBondContact O-CG 3.49Å; F109-M113 PolarHBondContact O-N 3.2Å; F109-M113 VanDerWaalsContact O-N 3.08Å; L110-M113 HydrophobicContact CD2-SD 4.08Å; L110-M113 WeakPolarHBondContact O-CG 3.43Å; Q111-M113 PolarHBondContact O-N 3.43Å; M113-H115 HydrophobicContact CG-CB 4.1Å; M113-H115 PolarHBondContact O-N 3.05Å
114	E	85.1	Confident	80.4	Confident	127 Å²	127	54.8 Å²	54.8	59%	0.593	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	27	177.1	-55	178.2	163	0	0	115.3	R52 L110 Q111 T116	R52-E114 IonicContact CZ-OE2 3.07Å; R52-E114 IonicContact NH2-OE2 3.41Å; R52-E114 PolarHBondContact NH2-OE2 2.69Å; L110-E114 PolarHBondContact O-N 3.48Å; Q111-E114 PolarHBondContact O-N 3.18Å; E114-T116 VanDerWaalsContact C-N 3.32Å; E114-T116 PolarHBondContact O-N 2.88Å
115	H	82.7	Confident	79.4	Confident	14 Å²	14	56.1 Å²	56.1	7%	0.065	31%	0.31	C	S	.	.			trans	-88.9	69.3	-176.6	-152.9	-16.8	0	0	0	111.9	A48 R52 L110 M113 E117 V118 L119	A48-H115 WeakPolarHBondContact CB-NE2 3.28Å; R52-H115 PolarHBondContact O-CD2 2.67Å; L110-H115 HydrophobicContact CD2-CB 4.48Å; L110-H115 PolarHBondContact O-N 2.83Å; M113-H115 HydrophobicContact CG-CB 4.1Å; M113-H115 PolarHBondContact O-N 3.05Å; H115-E117 VanDerWaalsContact C-N 3.34Å; H115-E117 PolarHBondContact O-N 3.1Å; H115-V118 PolarHBondContact O-N 3.4Å; H115-L119 PolarHBondContact O-N 3.44Å
116	T	77.1	Confident	78.6	Confident	90 Å²	90	57 Å²	57	55%	0.552	33%	0.329	S	S	*	.	H	α-helix	trans	-57	-37.8	-172.8	53	0	0	0	0	114.5	E114 L119 Q120	E114-T116 VanDerWaalsContact C-N 3.32Å; E114-T116 PolarHBondContact O-N 2.88Å; T116-L119 WeakPolarHBondContact O-CB 3.43Å; T116-L119 PolarHBondContact O-N 2.89Å; T116-Q120 WeakPolarHBondContact O-CG 3.48Å; T116-Q120 PolarHBondContact O-N 3.45Å
117	E	77	Confident	78.5	Confident	121 Å²	121	57.8 Å²	57.8	57%	0.565	33%	0.333	S	S	*	.	H	α-helix	trans	-60.8	-46.4	178.9	-63.6	174.9	166.9	0	0	112.5	H115 L119 Q120	H115-E117 VanDerWaalsContact C-N 3.34Å; H115-E117 PolarHBondContact O-N 3.1Å; E117-L119 VanDerWaalsContact C-N 3.33Å; E117-Q120 PolarHBondContact O-N 2.96Å
118	V	78	Confident	78.7	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-70.3	-33.8	179.4	-175.9	0	0	0	0	110.6	L41 H44 L110 H115 L121	L41-V118 HydrophobicContact CD2-CG1 3.47Å; L41-V118 VanDerWaalsContact CD2-CG1 3.47Å; H44-V118 HydrophobicContact CB-CG2 3.49Å; H44-V118 VanDerWaalsContact CB-CG2 3.49Å; L110-V118 HydrophobicContact CD1-CB 4.29Å; L110-V118 HydrophobicContact CD1-CG1 3.65Å; L110-V118 HydrophobicContact CD2-CB 4.13Å; L110-V118 HydrophobicContact CD2-CG1 3.75Å; L110-V118 HydrophobicContact CG-CG1 4.36Å; H115-V118 PolarHBondContact O-N 3.4Å; V118-L121 WeakPolarHBondContact O-CB 3.25Å; V118-L121 PolarHBondContact O-N 3.05Å
119	L	78.8	Confident	79	Confident	43 Å²	43	61.8 Å²	61.8	23%	0.225	35%	0.345	C	S	.	.	H	α-helix	trans	-65.4	-37.2	174.8	-170.6	66.6	0	0	0	112.4	L110 Q111 H115 T116 E117 L121 L122	L110-L119 HydrophobicContact CB-CD1 4.37Å; Q111-L119 HydrophobicContact CB-CD2 4.32Å; H115-L119 PolarHBondContact O-N 3.44Å; T116-L119 WeakPolarHBondContact O-CB 3.43Å; T116-L119 PolarHBondContact O-N 2.89Å; E117-L119 VanDerWaalsContact C-N 3.33Å; L119-L121 VanDerWaalsContact C-N 3.3Å; L119-L121 PolarHBondContact O-N 3.39Å; L119-L122 PolarHBondContact O-N 3.22Å
120	Q	72.3	Confident	79.1	Confident	146 Å²	146	65.3 Å²	65.3	68%	0.682	37%	0.366	S	S	*	.	H	α-helix	trans	-64.2	-32.8	176	-75.3	-178.4	7.6	0	0	112.7	T116 E117 L122 S123	T116-Q120 WeakPolarHBondContact O-CG 3.48Å; T116-Q120 PolarHBondContact O-N 3.45Å; E117-Q120 PolarHBondContact O-N 2.96Å; Q120-L122 PolarHBondContact O-N 3.09Å; Q120-L122 VanDerWaalsContact O-N 3.13Å; Q120-S123 PolarHBondContact O-N 2.47Å; Q120-S123 VanDerWaalsContact O-N 3.13Å
121	L	74.4	Confident	79.4	Confident	39 Å²	39	69.1 Å²	69.1	20%	0.204	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-17.2	176.9	-61.7	177.6	0	0	0	113.7	L37 R40 L41 V118 L119	L37-L121 HydrophobicContact CD1-CB 4.27Å; R40-L121 HydrophobicContact CB-CD1 4.32Å; L41-L121 HydrophobicContact CD2-CB 4.1Å; L41-L121 HydrophobicContact CD2-CD1 4.24Å; V118-L121 WeakPolarHBondContact O-CB 3.25Å; V118-L121 PolarHBondContact O-N 3.05Å; L119-L121 VanDerWaalsContact C-N 3.3Å; L119-L121 PolarHBondContact O-N 3.39Å
122	L	71.9	Confident	79.8	Confident	15 Å²	15	65.7 Å²	65.7	8%	0.079	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-4.2	179.3	-61.4	176.8	0	0	0	113.5	L37 L41 V103 L106 L110 L119 Q120	L37-L122 HydrophobicContact CD2-CD2 4.44Å; L41-L122 HydrophobicContact CD1-CD2 3.89Å; L41-L122 HydrophobicContact CD2-CD2 4.04Å; L41-L122 HydrophobicContact CD2-CG 4.19Å; V103-L122 HydrophobicContact CG1-CD1 4.37Å; V103-L122 HydrophobicContact CG1-CD2 4.15Å; L106-L122 HydrophobicContact CD2-CD1 4.14Å; L106-L122 HydrophobicContact CG-CD1 4.39Å; L110-L122 HydrophobicContact CD1-CD1 3.84Å; L119-L122 PolarHBondContact O-N 3.22Å; Q120-L122 PolarHBondContact O-N 3.09Å; Q120-L122 VanDerWaalsContact O-N 3.13Å
123	S	65	Low	80.3	Confident	78 Å²	78	62.9 Å²	62.9	55%	0.545	35%	0.348	S	S	.	.	S	Bend	trans	-97.5	142	-174	-63.8	0	0	0	0	113.2	Q120	Q120-S123 PolarHBondContact O-N 2.47Å; Q120-S123 VanDerWaalsContact O-N 3.13Å
124	P	58.9	Low	80.6	Confident	70 Å²	70	65.3 Å²	65.3	46%	0.455	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-74.3	156.6	178.1	30	-34.6	0	0	0	113.2	A23	A23-P124 HydrophobicContact CB-CB 3.91Å
125	P	60.8	Low	81	Confident	88 Å²	88	60.7 Å²	60.7	57%	0.571	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-66.4	136.3	176.2	27.9	-34.6	0	0	0	112.1
126	G	68.9	Low	81.6	Confident	52 Å²	52	61.4 Å²	61.4	54%	0.536	34%	0.344	S	S	.	.			trans	-72.9	-176	-176.4	0	0	0	0	0	115.6
127	I	86.8	Confident	82.4	Confident	17 Å²	17	57.1 Å²	57.1	9%	0.087	32%	0.318	C	S	.	.			trans	-73.7	142.5	178.9	-61.8	169.4	0	0	0	110	A150 V192 N194 T197 E199	I127-A150 HydrophobicContact CG2-CB 4.49Å; I127-V192 HydrophobicContact CG2-CB 4.11Å; I127-V192 HydrophobicContact CG2-CG1 3.7Å; I127-N194 HydrophobicContact CD1-CB 3.98Å; I127-N194 HydrophobicContact CG1-CB 4.04Å; I127-T197 VanDerWaalsContact CD1-O 3.31Å; I127-T197 WeakPolarHBondContact CD1-O 3.21Å; I127-E199 HydrophobicContact CB-CB 4.36Å; I127-E199 HydrophobicContact CB-CG 3.93Å; I127-E199 HydrophobicContact CG2-CB 4.02Å; I127-E199 HydrophobicContact CG2-CG 4.1Å
128	K	88.8	Confident	83.1	Confident	145 Å²	145	51.6 Å²	51.6	63%	0.63	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.7	123.1	172.8	-179.1	178.5	-179.2	178.6	0	110.6	A150 T151	K128-A150 CarbonylContact O-C 3.51Å; K128-A150 WeakPolarHBondContact O-CA 3.3Å; K128-A150 WeakPolarHBondContact O-CB 3.47Å; K128-T151 PolarHBondContact N-O 3.19Å; K128-T151 PolarHBondContact O-N 3.1Å; K128-T151 PolarHBondContact O-OG1 3.4Å
129	I	93.1	Very high	83.6	Confident	37 Å²	37	51.9 Å²	51.9	19%	0.19	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	133.8	173.2	-57.7	-178.2	0	0	0	109	R149 A150 V192 E199 F200	I129-R149 WeakPolarHBondContact CG2-O 3.49Å; I129-A150 HydrophobicContact CG1-CB 4.19Å; I129-V192 HydrophobicContact CD1-CG2 4.25Å; I129-V192 HydrophobicContact CG1-CG2 4.26Å; I129-E199 HydrophobicContact CD1-CB 4.21Å; I129-E199 HydrophobicContact CG1-CB 4.43Å; I129-F200 VanDerWaalsContact CD1-O 3.27Å; I129-F200 WeakPolarHBondContact CD1-O 3.42Å
130	T	93.1	Very high	84.1	Confident	81 Å²	81	50.3 Å²	50.3	50%	0.497	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	-22.8	-174.7	56.9	0	0	0	0	113.4	R149 T151	T130-R149 PolarHBondContact N-O 3.13Å; T130-R149 PolarHBondContact OG1-O 2.92Å; T130-T151 HydrophobicContact CG2-CG2 4.23Å
131	I	94.5	Very high	84.8	Confident	81 Å²	81	45.8 Å²	45.8	42%	0.415	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	126.3	169.4	-57.2	-173.4	0	0	0	108	C148 R149	I131-C148 WeakPolarHBondContact O-CA 3.47Å; I131-R149 HydrophobicContact CB-CB 3.98Å; I131-R149 HydrophobicContact CB-CG 4.25Å; I131-R149 HydrophobicContact CD1-CB 4.34Å; I131-R149 HydrophobicContact CD1-CG 4.15Å; I131-R149 HydrophobicContact CG1-CB 4.11Å; I131-R149 HydrophobicContact CG1-CG 4.4Å; I131-R149 PolarHBondContact N-O 3.27Å; I131-R149 VanDerWaalsContact N-O 3.08Å; I131-R149 PolarHBondContact O-N 3.41Å
132	N	95.6	Very high	85.4	Confident	57 Å²	57	46.2 Å²	46.2	31%	0.305	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-93.5	153.4	169.6	-75.5	-57.7	0	0	0	110.8	C147 S201 Q202	N132-C147 CarbonylContact C-O 3.13Å; N132-C147 VanDerWaalsContact C-O 3.31Å; N132-S201 WeakPolarHBondContact OD1-CA 3.46Å; N132-Q202 HydrophobicContact CB-CB 4.11Å; N132-Q202 HydrophobicContact CB-CG 4.47Å; N132-Q202 PolarHBondContact ND2-OE1 3.19Å; N132-Q202 PolarHBondContact OD1-N 3.47Å
133	P	95.8	Very high	86.2	Confident	9 Å²	9	49.5 Å²	49.5	6%	0.058	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-70.5	137.3	174.2	27.8	-31.9	0	0	0	111.9	L146 C147 W160	P133-L146 HydrophobicContact CB-CB 4.19Å; P133-C147 WeakPolarHBondContact CA-O 3.44Å; P133-C147 VanDerWaalsContact N-O 3.13Å; P133-W160 HydrophobicContact CB-CH2 3.84Å; P133-W160 HydrophobicContact CB-CZ3 4.16Å; P133-W160 HydrophobicContact CG-CH2 3.94Å; P133-W160 HydrophobicContact CG-CZ3 4Å
134	E	93.1	Very high	87.5	Confident	61 Å²	61	45.9 Å²	45.9	29%	0.285	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-87.4	131.3	178.3	-167.3	178.5	129.8	0	0	110.3	K136 S204 S253 P254 R296	E134-K136 WeakPolarHBondContact O-CG 3.41Å; E134-S204 PolarHBondContact O-OG 3.25Å; E134-S253 WeakPolarHBondContact OE1-CB 3.34Å; E134-S253 PolarHBondContact OE1-OG 2.87Å; E134-P254 HydrophobicContact CG-CG 4.44Å; E134-P254 VanDerWaalsContact OE1-N 3.16Å; E134-R296 VanDerWaalsContact CD-NH2 3.3Å; E134-R296 IonicContact OE1-CZ 2.75Å; E134-R296 VanDerWaalsContact OE1-CZ 3.31Å; E134-R296 IonicContact OE1-NH1 3.71Å; E134-R296 PolarHBondContact OE1-NH1 2.95Å; E134-R296 IonicContact OE1-NH2 3.87Å; E134-R296 PolarHBondContact OE1-NH2 3.33Å; E134-R296 IonicContact OE2-CZ 2.71Å; E134-R296 IonicContact OE2-NH1 3.52Å; E134-R296 IonicContact OE2-NH2 3.91Å; E134-R296 PolarHBondContact OE2-NH2 2.92Å
135	S	95.3	Very high	89.1	Confident	30 Å²	30	45.6 Å²	45.6	21%	0.21	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-67.8	140.8	173.4	-61.6	0	0	0	0	111.4	Q205 P254 I255	S135-Q205 CarbonylContact C-O 3.55Å; S135-Q205 WeakPolarHBondContact CA-O 3.45Å; S135-Q205 WeakPolarHBondContact CB-O 3.46Å; S135-Q205 PolarHBondContact OG-N 3.47Å; S135-P254 CarbonylContact O-C 3.31Å; S135-P254 WeakPolarHBondContact O-CA 3.36Å; S135-I255 PolarHBondContact O-N 3.07Å
136	K	93.8	Very high	90.7	Very high	29 Å²	29	41.5 Å²	41.5	13%	0.126	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	148.8	-173.6	-44	-170.9	177.8	179.8	0	112.4	E134 K145 Q205 D207 G252 S253	E134-K136 WeakPolarHBondContact O-CG 3.41Å; K136-K145 PolarHBondContact NZ-O 3.01Å; K136-Q205 PolarHBondContact N-O 3Å; K136-D207 PolarHBondContact O-N 3.05Å; K136-G252 WeakPolarHBondContact CA-O 2.99Å; K136-S253 WeakPolarHBondContact CD-OG 3.49Å; K136-S253 WeakPolarHBondContact CE-OG 3.47Å; K136-S253 WeakPolarHBondContact CG-OG 2.99Å
137	A	93.5	Very high	92	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.008	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	134.2	162.7	0	0	0	0	0	110.2	D207 V251 G252 I255 P256	A137-D207 CarbonylContact C-O 3.38Å; A137-D207 WeakPolarHBondContact CA-O 3.42Å; A137-D207 HydrophobicContact CB-CB 4.07Å; A137-V251 CarbonylContact O-C 3.48Å; A137-V251 WeakPolarHBondContact O-CA 3.19Å; A137-V251 WeakPolarHBondContact O-CB 3.41Å; A137-G252 PolarHBondContact N-O 3.19Å; A137-G252 PolarHBondContact O-N 3.1Å; A137-I255 HydrophobicContact CB-CG1 4.22Å; A137-P256 VanDerWaalsContact CB-CD 3.45Å; A137-P256 HydrophobicContact CB-CG 4.16Å
138	V	91.9	Very high	92.5	Very high	5 Å²	5	39.7 Å²	39.7	3%	0.03	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	162.1	-173.1	-67.2	0	0	0	0	111.3	V144 V180 L206 D207 V208 C209	V138-V144 HydrophobicContact CB-CG2 4.38Å; V138-V144 HydrophobicContact CG1-CG2 4.24Å; V138-V144 HydrophobicContact CG2-CG2 3.81Å; V138-V180 HydrophobicContact CG2-CG1 3.83Å; V138-L206 HydrophobicContact CG2-CD1 3.81Å; V138-D207 WeakPolarHBondContact CG2-O 3.13Å; V138-D207 PolarHBondContact N-O 3.03Å; V138-V208 HydrophobicContact CG2-CG2 4.3Å; V138-V208 WeakPolarHBondContact O-CA 3.22Å; V138-C209 PolarHBondContact O-N 2.95Å
139	L	89.6	Confident	92.8	Very high	6 Å²	6	38 Å²	38	3%	0.031	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	140.8	172.6	-59.5	-175.2	0	0	0	111.2	G141 Q142 V180 C209 V211 V219 C230 V251	L139-G141 PolarHBondContact O-N 2.85Å; L139-Q142 HydrophobicContact CB-CG 4.14Å; L139-Q142 WeakPolarHBondContact O-CB 3.22Å; L139-Q142 WeakPolarHBondContact O-CG 3.45Å; L139-Q142 PolarHBondContact O-N 3.38Å; L139-Q142 VanDerWaalsContact O-N 3.08Å; L139-V180 WeakPolarHBondContact O-CG1 3.47Å; L139-C209 WeakPolarHBondContact CA-O 3.4Å; L139-C209 HydrophobicContact CD2-CB 4.01Å; L139-V211 HydrophobicContact CD1-CG2 4.08Å; L139-V211 HydrophobicContact CD2-CG1 3.88Å; L139-V211 HydrophobicContact CD2-CG2 3.8Å; L139-V211 HydrophobicContact CG-CG2 4.48Å; L139-V219 HydrophobicContact CD1-CB 4.48Å; L139-V219 HydrophobicContact CD1-CG1 4.09Å; L139-V219 HydrophobicContact CD1-CG2 4.37Å; L139-C230 HydrophobicContact CD2-CB 4.38Å; L139-V251 HydrophobicContact CD2-CG1 3.64Å; L139-V251 HydrophobicContact CG-CG1 3.94Å
140	A	89.9	Confident	92.8	Very high	10 Å²	10	36.8 Å²	36.8	8%	0.083	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	128.8	169.9	0	0	0	0	0	110.7	V180 V182 V208 C209 R216	A140-V180 CarbonylContact C-O 3.54Å; A140-V180 WeakPolarHBondContact CA-O 3.49Å; A140-V182 HydrophobicContact CB-CG2 4.44Å; A140-V208 HydrophobicContact CB-CG1 3.83Å; A140-C209 PolarHBondContact N-O 2.61Å; A140-R216 PolarHBondContact O-NE 3.31Å; A140-R216 PolarHBondContact O-NH2 3.28Å
141	G	86.8	Confident	92.5	Very high	51 Å²	51	36.9 Å²	36.9	53%	0.526	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	106.3	-19.4	-171.2	0	0	0	0	0	114.5	L139 V180	L139-G141 PolarHBondContact O-N 2.85Å; G141-V180 PolarHBondContact N-O 3.32Å
142	Q	86.3	Confident	91.7	Very high	48 Å²	48	34.2 Å²	34.2	22%	0.224	19%	0.192	C	C	.	.			trans	-74.8	155.7	-177.7	-70.6	-176.7	-44.5	0	0	113.6	L139 A179 V180	L139-Q142 HydrophobicContact CB-CG 4.14Å; L139-Q142 WeakPolarHBondContact O-CB 3.22Å; L139-Q142 WeakPolarHBondContact O-CG 3.45Å; L139-Q142 PolarHBondContact O-N 3.38Å; L139-Q142 VanDerWaalsContact O-N 3.08Å; Q142-A179 WeakPolarHBondContact O-CA 3.2Å; Q142-V180 WeakPolarHBondContact O-CG1 3.45Å; Q142-V180 PolarHBondContact O-N 3.11Å
143	F	88.7	Confident	90.5	Very high	84 Å²	84	36.1 Å²	36.1	37%	0.368	20%	0.199	S	C	.	.			trans	-68.8	141.9	164.7	179.7	-91.7	0	0	0	109.7	K145 I176 F177 E224	F143-K145 HydrophobicContact CE1-CB 4.05Å; F143-I176 HydrophobicContact CD2-CG2 4.38Å; F143-I176 HydrophobicContact CE2-CG2 3.45Å; F143-I176 VanDerWaalsContact CE2-CG2 3.45Å; F143-I176 HydrophobicContact CZ-CG2 3.7Å; F143-F177 CarbonylContact C-O 3.53Å; F143-F177 WeakPolarHBondContact CA-O 3.41Å; F143-E224 WeakPolarHBondContact CD1-OE1 3.36Å
144	V	91.4	Very high	88.6	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	134.5	177.3	-176.8	0	0	0	0	109.9	V138 L146 I176 F177 V180 L206	V138-V144 HydrophobicContact CB-CG2 4.38Å; V138-V144 HydrophobicContact CG1-CG2 4.24Å; V138-V144 HydrophobicContact CG2-CG2 3.81Å; V144-L146 HydrophobicContact CG1-CD2 4.49Å; V144-I176 WeakPolarHBondContact O-CA 3.35Å; V144-F177 HydrophobicContact CB-CB 4.18Å; V144-F177 HydrophobicContact CB-CD2 4.07Å; V144-F177 HydrophobicContact CG1-CD2 4.29Å; V144-F177 PolarHBondContact N-O 3.03Å; V144-F177 PolarHBondContact O-N 2.85Å; V144-V180 HydrophobicContact CG2-CB 3.79Å; V144-V180 HydrophobicContact CG2-CG1 3.84Å; V144-V180 HydrophobicContact CG2-CG2 4.15Å; V144-L206 HydrophobicContact CG1-CD1 3.79Å; V144-L206 HydrophobicContact CG1-CD2 4.23Å; V144-L206 HydrophobicContact CG2-CD1 4.37Å
145	K	92.9	Very high	88	Confident	65 Å²	65	41.6 Å²	41.6	28%	0.283	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	126.4	169.6	-169.1	168.2	75.8	152.3	0	112.8	K136 F143 E174 L175 I176	K136-K145 PolarHBondContact NZ-O 3.01Å; F143-K145 HydrophobicContact CE1-CB 4.05Å; K145-E174 HydrophobicContact CD-CB 4.09Å; K145-E174 HydrophobicContact CD-CG 4.38Å; K145-E174 WeakPolarHBondContact CD-OE2 3.43Å; K145-E174 HydrophobicContact CG-CB 4.24Å; K145-E174 IonicContact NZ-OE1 2.75Å; K145-E174 PolarHBondContact NZ-OE1 3.3Å; K145-E174 IonicContact NZ-OE2 2.92Å; K145-E174 PolarHBondContact NZ-OE2 3.5Å; K145-L175 WeakPolarHBondContact CA-O 3.22Å; K145-I176 HydrophobicContact CD-CD1 4.43Å; K145-I176 HydrophobicContact CD-CG1 4.14Å; K145-I176 HydrophobicContact CG-CG1 4.07Å
146	L	95	Very high	87.8	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	134.5	166.8	-54.3	-176.2	0	0	0	109	P133 V144 W160 E174 L175 Y188	P133-L146 HydrophobicContact CB-CB 4.19Å; V144-L146 HydrophobicContact CG1-CD2 4.49Å; L146-W160 HydrophobicContact CB-CH2 3.98Å; L146-W160 HydrophobicContact CB-CZ3 4.25Å; L146-E174 CarbonylContact O-C 3.47Å; L146-E174 VanDerWaalsContact O-CA 3.29Å; L146-E174 WeakPolarHBondContact O-CA 3.45Å; L146-L175 HydrophobicContact CB-CB 4.42Å; L146-L175 HydrophobicContact CD1-CD2 4.48Å; L146-L175 PolarHBondContact N-O 3.01Å; L146-L175 PolarHBondContact O-N 3.28Å; L146-Y188 HydrophobicContact CD1-CD1 4.44Å; L146-Y188 HydrophobicContact CD1-CD2 4.14Å; L146-Y188 HydrophobicContact CD1-CG 3.85Å
147	C	95.8	Very high	87.8	Confident	31 Å²	31	44.7 Å²	44.7	21%	0.209	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	130.5	-175.2	-65	0	0	0	0	111.2	N132 P133 E174	N132-C147 CarbonylContact C-O 3.13Å; N132-C147 VanDerWaalsContact C-O 3.31Å; P133-C147 WeakPolarHBondContact CA-O 3.44Å; P133-C147 VanDerWaalsContact N-O 3.13Å; C147-E174 PolarHBondContact SG-OE1 3.03Å
148	C	96.9	Very high	87.9	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.249	C	C	.	.			trans	-128.6	126.8	168.9	175.9	0	0	0	0	108.9	I131 Y158 W160 S173 C190	I131-C148 WeakPolarHBondContact O-CA 3.47Å; C148-Y158 WeakPolarHBondContact O-CE1 3.33Å; C148-W160 HydrophobicContact CB-CH2 3.77Å; C148-W160 HydrophobicContact CB-CZ2 3.64Å; C148-S173 PolarHBondContact N-O 2.88Å; C148-S173 CarbonylContact O-C 3.54Å; C148-S173 WeakPolarHBondContact O-CA 3.43Å; C148-S173 WeakPolarHBondContact O-CB 3.29Å; C148-C190 HydrophobicContact CB-CB 3.55Å
149	R	95.9	Very high	88.2	Confident	109 Å²	109	46.9 Å²	46.9	41%	0.411	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	145.7	177.8	-56.6	-165.1	-178	-133.9	-7.2	110.6	I129 T130 I131 E174	I129-R149 WeakPolarHBondContact CG2-O 3.49Å; T130-R149 PolarHBondContact N-O 3.13Å; T130-R149 PolarHBondContact OG1-O 2.92Å; I131-R149 HydrophobicContact CB-CB 3.98Å; I131-R149 HydrophobicContact CB-CG 4.25Å; I131-R149 HydrophobicContact CD1-CB 4.34Å; I131-R149 HydrophobicContact CD1-CG 4.15Å; I131-R149 HydrophobicContact CG1-CB 4.11Å; I131-R149 HydrophobicContact CG1-CG 4.4Å; I131-R149 PolarHBondContact N-O 3.27Å; I131-R149 VanDerWaalsContact N-O 3.08Å; I131-R149 PolarHBondContact O-N 3.41Å; R149-E174 IonicContact CZ-OE1 2.73Å; R149-E174 IonicContact NH2-OE1 2.9Å; R149-E174 PolarHBondContact NH2-OE1 2.91Å
150	A	93.4	Very high	88.6	Confident	13 Å²	13	46.6 Å²	46.6	11%	0.107	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	165	-176	0	0	0	0	0	112.4	I127 K128 I129 Y158 V192	I127-A150 HydrophobicContact CG2-CB 4.49Å; K128-A150 CarbonylContact O-C 3.51Å; K128-A150 WeakPolarHBondContact O-CA 3.3Å; K128-A150 WeakPolarHBondContact O-CB 3.47Å; I129-A150 HydrophobicContact CG1-CB 4.19Å; A150-Y158 HydrophobicContact CB-CE1 4.39Å; A150-Y158 PolarHBondContact N-OH 2.89Å; A150-Y158 PolarHBondContact O-OH 2.96Å; A150-V192 HydrophobicContact CB-CB 4.24Å; A150-V192 HydrophobicContact CB-CG1 3.6Å; A150-V192 HydrophobicContact CB-CG2 3.88Å
151	T	86.8	Confident	88.9	Confident	82 Å²	82	47.3 Å²	47.3	50%	0.503	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	140.7	175.2	55.9	0	0	0	0	110	K128 T130	K128-T151 PolarHBondContact N-O 3.19Å; K128-T151 PolarHBondContact O-N 3.1Å; K128-T151 PolarHBondContact O-OG1 3.4Å; T130-T151 HydrophobicContact CG2-CG2 4.23Å
152	G	77.9	Confident	89.3	Confident	25 Å²	25	47 Å²	47	26%	0.258	24%	0.235	S	C	.	.			trans	-175.5	154	178	0	0	0	0	0	111
153	H	69.2	Low	89.3	Confident	98 Å²	98	49.8 Å²	49.8	45%	0.454	25%	0.25	S	C	.	.	S	Bend	trans	-102.1	143.4	-177.5	-170.6	80.4	0	0	0	110.9	N194	H153-N194 PolarHBondContact O-ND2 3.07Å
154	P	56.5	Low	89	Confident	74 Å²	74	53.2 Å²	53.2	48%	0.481	27%	0.272	S	S	.	.	S	Bend	cis	-75.7	-25.5	-3.7	31	-34.7	0	0	0	113.9
155	F	80.7	Confident	89	Confident	111 Å²	111	60.7 Å²	60.7	49%	0.487	30%	0.304	S	S	.	.			trans	-158	164.4	173	44.9	-97.9	0	0	0	108.8	Q157 N194	F155-Q157 HydrophobicContact CD2-CG 4.49Å; F155-N194 WeakPolarHBondContact O-CA 3.43Å; F155-N194 VanDerWaalsContact O-CB 3.32Å; F155-N194 WeakPolarHBondContact O-CB 3.23Å
156	V	90.7	Very high	89.1	Confident	33 Å²	33	62.3 Å²	62.3	20%	0.2	31%	0.313	C	S	.	.			trans	-110.5	143.7	176.4	-67.8	0	0	0	0	111.9	Y158 V192 N193	V156-Y158 HydrophobicContact CG2-CE2 3.99Å; V156-V192 HydrophobicContact CB-CG1 3.72Å; V156-V192 HydrophobicContact CG1-CG1 3.84Å; V156-V192 HydrophobicContact CG2-CG1 4.44Å; V156-N193 CarbonylContact C-O 3.58Å; V156-N193 WeakPolarHBondContact CA-O 3.38Å
157	Q	93.6	Very high	89.1	Confident	91 Å²	91	63.8 Å²	63.8	43%	0.425	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	146.1	172.8	-65.2	179.9	-10.6	0	0	109.3	F155 V192 N193	F155-Q157 HydrophobicContact CD2-CG 4.49Å; Q157-V192 CarbonylContact O-C 3.59Å; Q157-V192 WeakPolarHBondContact O-CA 3.44Å; Q157-N193 PolarHBondContact N-O 3.26Å; Q157-N193 PolarHBondContact O-N 3.15Å
158	Y	96.9	Very high	88.9	Confident	34 Å²	34	67.4 Å²	67.4	13%	0.133	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	150.8	-177.8	-59.7	-95.5	0	0	0	109.6	C148 A150 V156 N171 T172 R191 V192	C148-Y158 WeakPolarHBondContact O-CE1 3.33Å; A150-Y158 HydrophobicContact CB-CE1 4.39Å; A150-Y158 PolarHBondContact N-OH 2.89Å; A150-Y158 PolarHBondContact O-OH 2.96Å; V156-Y158 HydrophobicContact CG2-CE2 3.99Å; Y158-N171 CarbonylContact O-C 3.55Å; Y158-N171 VanDerWaalsContact O-CA 3.24Å; Y158-N171 WeakPolarHBondContact O-CA 3.27Å; Y158-T172 WeakPolarHBondContact CB-O 3.41Å; Y158-R191 CarbonylContact C-O 3.54Å; Y158-R191 WeakPolarHBondContact CA-O 3.43Å; Y158-V192 HydrophobicContact CD1-CG2 3.86Å; Y158-V192 HydrophobicContact CE1-CG1 4.5Å; Y158-V192 HydrophobicContact CE1-CG2 3.86Å
159	Q	97.1	Very high	88.5	Confident	17 Å²	17	74.1 Å²	74.1	8%	0.079	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	121.7	165.1	-176.2	51.1	54.1	0	0	109.9	F161 E166 I167 G170 R191	Q159-F161 HydrophobicContact CB-CE2 4.03Å; Q159-F161 HydrophobicContact CG-CE2 3.69Å; Q159-F161 HydrophobicContact CG-CZ 3.89Å; Q159-F161 WeakPolarHBondContact O-CD2 3.35Å; Q159-F161 WeakPolarHBondContact O-CE2 3.36Å; Q159-E166 HydrophobicContact CG-CG 3.71Å; Q159-E166 WeakPolarHBondContact CG-OE1 3.47Å; Q159-E166 VanDerWaalsContact NE2-CG 3.29Å; Q159-E166 PolarHBondContact OE1-OE1 3.37Å; Q159-I167 PolarHBondContact NE2-O 2.85Å; Q159-G170 CarbonylContact C-O 3.51Å; Q159-G170 VanDerWaalsContact CA-O 3.27Å; Q159-G170 WeakPolarHBondContact CA-O 3.2Å; Q159-G170 PolarHBondContact NE2-O 3.4Å; Q159-R191 PolarHBondContact N-O 3.33Å; Q159-R191 PolarHBondContact O-N 2.7Å
160	W	98	Very high	88.3	Confident	0 Å²	0	69 Å²	69	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	144.3	178.5	-70.4	91.1	0	0	0	112.2	P133 L146 C148 I167 G170 T172 L175 C190	P133-W160 HydrophobicContact CB-CH2 3.84Å; P133-W160 HydrophobicContact CB-CZ3 4.16Å; P133-W160 HydrophobicContact CG-CH2 3.94Å; P133-W160 HydrophobicContact CG-CZ3 4Å; L146-W160 HydrophobicContact CB-CH2 3.98Å; L146-W160 HydrophobicContact CB-CZ3 4.25Å; C148-W160 HydrophobicContact CB-CH2 3.77Å; C148-W160 HydrophobicContact CB-CZ2 3.64Å; W160-I167 HydrophobicContact CB-CB 4.43Å; W160-I167 HydrophobicContact CB-CD1 3.99Å; W160-I167 PolarHBondContact O-N 2.69Å; W160-G170 VanDerWaalsContact CD1-O 3.22Å; W160-G170 PolarHBondContact N-O 2.96Å; W160-T172 PolarHBondContact NE1-O 3.06Å; W160-L175 HydrophobicContact CB-CD1 4.41Å; W160-L175 HydrophobicContact CB-CD2 4.2Å; W160-L175 HydrophobicContact CD2-CB 3.71Å; W160-L175 HydrophobicContact CD2-CD2 4.09Å; W160-L175 HydrophobicContact CD2-CG 4.45Å; W160-L175 HydrophobicContact CE3-CB 4.26Å; W160-L175 HydrophobicContact CE3-CD2 4.09Å; W160-L175 HydrophobicContact CG-CB 3.9Å; W160-L175 HydrophobicContact CG-CD1 4.35Å; W160-L175 HydrophobicContact CG-CD2 4.14Å; W160-L175 HydrophobicContact CG-CG 4.36Å; W160-L175 HydrophobicContact CZ2-CB 4.19Å; W160-C190 HydrophobicContact CD2-CB 3.81Å; W160-C190 HydrophobicContact CE3-CB 3.78Å; W160-C190 HydrophobicContact CH2-CB 3.84Å; W160-C190 HydrophobicContact CZ2-CB 3.87Å; W160-C190 HydrophobicContact CZ3-CB 3.81Å
161	F	96.8	Very high	88.3	Confident	26 Å²	26	73 Å²	73	11%	0.114	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	142.8	175.9	-64.3	-99	0	0	0	109.1	Q159 K165 E166 Y188 V189 R191 F200	Q159-F161 HydrophobicContact CB-CE2 4.03Å; Q159-F161 HydrophobicContact CG-CE2 3.69Å; Q159-F161 HydrophobicContact CG-CZ 3.89Å; Q159-F161 WeakPolarHBondContact O-CD2 3.35Å; Q159-F161 WeakPolarHBondContact O-CE2 3.36Å; F161-K165 CarbonylContact C-O 3.55Å; F161-K165 VanDerWaalsContact CA-O 3.31Å; F161-K165 WeakPolarHBondContact CA-O 3.4Å; F161-E166 HydrophobicContact CD1-CB 3.98Å; F161-E166 HydrophobicContact CD1-CG 4.43Å; F161-E166 HydrophobicContact CE1-CB 3.65Å; F161-E166 HydrophobicContact CE1-CG 3.92Å; F161-E166 HydrophobicContact CZ-CB 4.34Å; F161-E166 HydrophobicContact CZ-CG 4.1Å; F161-Y188 WeakPolarHBondContact O-CA 3.34Å; F161-V189 HydrophobicContact CB-CG1 3.91Å; F161-V189 PolarHBondContact N-O 3.09Å; F161-V189 PolarHBondContact O-N 2.67Å; F161-R191 HydrophobicContact CD2-CB 4.32Å; F161-R191 HydrophobicContact CE2-CB 3.74Å; F161-F200 HydrophobicContact CD2-CE1 4.43Å; F161-F200 HydrophobicContact CE2-CE1 4.47Å
162	K	94.3	Very high	88.7	Confident	45 Å²	45	72.4 Å²	72.4	20%	0.196	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	115.3	164.4	-176.9	-179.8	-175.7	154.9	0	107.1	N164 K165 I167 K183 D184 A185 F187 Y188	K162-N164 PolarHBondContact O-N 2.9Å; K162-K165 PolarHBondContact N-O 3.33Å; K162-K165 PolarHBondContact O-N 3.46Å; K162-I167 HydrophobicContact CB-CD1 4.12Å; K162-I167 HydrophobicContact CB-CG1 4.22Å; K162-K183 PolarHBondContact NZ-O 2.81Å; K162-D184 VanDerWaalsContact NZ-CA 3.35Å; K162-D184 PolarHBondContact NZ-O 2.73Å; K162-A185 WeakPolarHBondContact CE-O 3.38Å; K162-A185 PolarHBondContact NZ-O 2.54Å; K162-F187 WeakPolarHBondContact CA-O 3.13Å; K162-Y188 HydrophobicContact CB-CD1 4.2Å; K162-Y188 HydrophobicContact CB-CE1 3.85Å; K162-Y188 HydrophobicContact CD-CE1 4.2Å; K162-Y188 HydrophobicContact CD-CE2 4.44Å; K162-Y188 WeakPolarHBondContact CD-OH 3.29Å; K162-Y188 HydrophobicContact CG-CE1 4.02Å; K162-Y188 HydrophobicContact CG-CE2 4.35Å; K162-Y188 PolarHBondContact NZ-OH 3.05Å
163	M	85.9	Confident	89.5	Confident	106 Å²	106	72.9 Å²	72.9	52%	0.522	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	-122.4	-167.3	-59.1	164.4	169.7	0	0	109.8	F187 W203	M163-F187 PolarHBondContact N-O 2.83Å; M163-W203 WeakPolarHBondContact O-CH2 3.44Å
164	N	82.8	Confident	90.8	Very high	156 Å²	156	70 Å²	70	83%	0.834	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	1.7	177.8	64.7	-8.4	0	0	0	114.6	K162	K162-N164 PolarHBondContact O-N 2.9Å
165	K	93	Very high	92.7	Very high	157 Å²	157	67.1 Å²	67.1	68%	0.683	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.9	127.2	-174.2	-170.9	172.4	-178.6	175.5	0	112.1	F161 K162	F161-K165 CarbonylContact C-O 3.55Å; F161-K165 VanDerWaalsContact CA-O 3.31Å; F161-K165 WeakPolarHBondContact CA-O 3.4Å; K162-K165 PolarHBondContact N-O 3.33Å; K162-K165 PolarHBondContact O-N 3.46Å
166	E	94	Very high	93.3	Very high	99 Å²	99	65.8 Å²	65.8	46%	0.463	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	136.2	174	-166.4	168.5	150.7	0	0	111.3	Q159 F161 P168	Q159-E166 HydrophobicContact CG-CG 3.71Å; Q159-E166 WeakPolarHBondContact CG-OE1 3.47Å; Q159-E166 VanDerWaalsContact NE2-CG 3.29Å; Q159-E166 PolarHBondContact OE1-OE1 3.37Å; F161-E166 HydrophobicContact CD1-CB 3.98Å; F161-E166 HydrophobicContact CD1-CG 4.43Å; F161-E166 HydrophobicContact CE1-CB 3.65Å; F161-E166 HydrophobicContact CE1-CG 3.92Å; F161-E166 HydrophobicContact CZ-CB 4.34Å; F161-E166 HydrophobicContact CZ-CG 4.1Å; E166-P168 WeakPolarHBondContact O-CD 3.48Å
167	I	95.1	Very high	93.4	Very high	33 Å²	33	65.7 Å²	65.7	17%	0.169	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-90.6	118	178.2	-56.9	178.5	0	0	0	109	Q159 W160 K162 N169 G170 L175 Y188	Q159-I167 PolarHBondContact NE2-O 2.85Å; W160-I167 HydrophobicContact CB-CB 4.43Å; W160-I167 HydrophobicContact CB-CD1 3.99Å; W160-I167 PolarHBondContact O-N 2.69Å; K162-I167 HydrophobicContact CB-CD1 4.12Å; K162-I167 HydrophobicContact CB-CG1 4.22Å; I167-N169 PolarHBondContact O-N 3.07Å; I167-G170 PolarHBondContact O-N 3Å; I167-L175 HydrophobicContact CD1-CD1 4.32Å; I167-L175 HydrophobicContact CD1-CD2 3.67Å; I167-L175 HydrophobicContact CG2-CD1 4.25Å; I167-Y188 HydrophobicContact CD1-CD1 3.64Å; I167-Y188 HydrophobicContact CD1-CE1 3.48Å; I167-Y188 VanDerWaalsContact CD1-CE1 3.48Å
168	P	91	Very high	93.1	Very high	106 Å²	106	67.8 Å²	67.8	69%	0.688	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	132.6	176.5	-24.4	34.5	0	0	0	111.2	E166 G170	E166-P168 WeakPolarHBondContact O-CD 3.48Å; P168-G170 PolarHBondContact O-N 3.32Å; P168-G170 VanDerWaalsContact O-N 3.15Å
169	N	88.2	Confident	92.8	Very high	142 Å²	142	68.4 Å²	68.4	76%	0.759	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	10	-176.7	-46.1	-52.6	0	0	0	115.3	I167 N171	I167-N169 PolarHBondContact O-N 3.07Å; N169-N171 PolarHBondContact O-N 2.91Å
170	G	91.7	Very high	92.5	Very high	2 Å²	2	67.6 Å²	67.6	2%	0.021	36%	0.36	C	S	.	.			trans	-76.3	47.3	170.4	0	0	0	0	0	112.7	Q159 W160 I167 P168	Q159-G170 CarbonylContact C-O 3.51Å; Q159-G170 VanDerWaalsContact CA-O 3.27Å; Q159-G170 WeakPolarHBondContact CA-O 3.2Å; Q159-G170 PolarHBondContact NE2-O 3.4Å; W160-G170 VanDerWaalsContact CD1-O 3.22Å; W160-G170 PolarHBondContact N-O 2.96Å; I167-G170 PolarHBondContact O-N 3Å; P168-G170 PolarHBondContact O-N 3.32Å; P168-G170 VanDerWaalsContact O-N 3.15Å
171	N	94.5	Very high	92.2	Very high	97 Å²	97	72.3 Å²	72.3	52%	0.519	38%	0.381	S	S	.	.			trans	-100.8	9.2	-172.3	61.7	10	0	0	0	114.4	Y158 N169	Y158-N171 CarbonylContact O-C 3.55Å; Y158-N171 VanDerWaalsContact O-CA 3.24Å; Y158-N171 WeakPolarHBondContact O-CA 3.27Å; N169-N171 PolarHBondContact O-N 2.91Å
172	T	95.8	Very high	91.8	Very high	69 Å²	69	74.8 Å²	74.8	42%	0.423	40%	0.398	S	S	.	.	S	Bend	trans	-104.1	159.9	-177.1	42.3	0	0	0	0	112.4	Y158 W160 E174	Y158-T172 WeakPolarHBondContact CB-O 3.41Å; W160-T172 PolarHBondContact NE1-O 3.06Å; T172-E174 PolarHBondContact O-N 2.85Å; T172-E174 VanDerWaalsContact O-N 3.1Å; T172-E174 PolarHBondContact OG1-O 2.9Å
173	S	94.6	Very high	91.7	Very high	34 Å²	34	80.1 Å²	80.1	24%	0.238	42%	0.422	C	S	.	.	S	Bend	trans	-64.7	-8.3	172.4	51.7	0	0	0	0	114.1	C148	C148-S173 PolarHBondContact N-O 2.88Å; C148-S173 CarbonylContact O-C 3.54Å; C148-S173 WeakPolarHBondContact O-CA 3.43Å; C148-S173 WeakPolarHBondContact O-CB 3.29Å
174	E	95.9	Very high	92	Very high	38 Å²	38	76.4 Å²	76.4	18%	0.178	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	130	177.7	-52.7	-168.4	148.3	0	0	108.7	K145 L146 C147 R149 T172 I176	K145-E174 HydrophobicContact CD-CB 4.09Å; K145-E174 HydrophobicContact CD-CG 4.38Å; K145-E174 WeakPolarHBondContact CD-OE2 3.43Å; K145-E174 HydrophobicContact CG-CB 4.24Å; K145-E174 IonicContact NZ-OE1 2.75Å; K145-E174 PolarHBondContact NZ-OE1 3.3Å; K145-E174 IonicContact NZ-OE2 2.92Å; K145-E174 PolarHBondContact NZ-OE2 3.5Å; L146-E174 CarbonylContact O-C 3.47Å; L146-E174 VanDerWaalsContact O-CA 3.29Å; L146-E174 WeakPolarHBondContact O-CA 3.45Å; C147-E174 PolarHBondContact SG-OE1 3.03Å; R149-E174 IonicContact CZ-OE1 2.73Å; R149-E174 IonicContact NH2-OE1 2.9Å; R149-E174 PolarHBondContact NH2-OE1 2.91Å; T172-E174 PolarHBondContact O-N 2.85Å; T172-E174 VanDerWaalsContact O-N 3.1Å; T172-E174 PolarHBondContact OG1-O 2.9Å; E174-I176 HydrophobicContact CB-CG1 4.46Å
175	L	96.1	Very high	92.5	Very high	13 Å²	13	70.6 Å²	70.6	7%	0.068	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	122.3	170.4	-179.9	66.5	0	0	0	108.1	K145 L146 W160 I167 F177 Y188	K145-L175 WeakPolarHBondContact CA-O 3.22Å; L146-L175 HydrophobicContact CB-CB 4.42Å; L146-L175 HydrophobicContact CD1-CD2 4.48Å; L146-L175 PolarHBondContact N-O 3.01Å; L146-L175 PolarHBondContact O-N 3.28Å; W160-L175 HydrophobicContact CB-CD1 4.41Å; W160-L175 HydrophobicContact CB-CD2 4.2Å; W160-L175 HydrophobicContact CD2-CB 3.71Å; W160-L175 HydrophobicContact CD2-CD2 4.09Å; W160-L175 HydrophobicContact CD2-CG 4.45Å; W160-L175 HydrophobicContact CE3-CB 4.26Å; W160-L175 HydrophobicContact CE3-CD2 4.09Å; W160-L175 HydrophobicContact CG-CB 3.9Å; W160-L175 HydrophobicContact CG-CD1 4.35Å; W160-L175 HydrophobicContact CG-CD2 4.14Å; W160-L175 HydrophobicContact CG-CG 4.36Å; W160-L175 HydrophobicContact CZ2-CB 4.19Å; I167-L175 HydrophobicContact CD1-CD1 4.32Å; I167-L175 HydrophobicContact CD1-CD2 3.67Å; I167-L175 HydrophobicContact CG2-CD1 4.25Å; L175-F177 HydrophobicContact CD2-CE2 3.84Å; L175-F177 HydrophobicContact CD2-CZ 3.84Å; L175-F177 HydrophobicContact CG-CE2 3.83Å; L175-F177 HydrophobicContact CG-CZ 4.09Å; L175-Y188 HydrophobicContact CD2-CD1 3.5Å; L175-Y188 HydrophobicContact CD2-CE1 3.75Å; L175-Y188 HydrophobicContact CD2-CG 4.43Å
176	I	93.9	Very high	92.6	Very high	83 Å²	83	63.7 Å²	63.7	43%	0.426	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129.6	-169.6	-60.9	172	0	0	0	109.8	F143 V144 K145 E174	F143-I176 HydrophobicContact CD2-CG2 4.38Å; F143-I176 HydrophobicContact CE2-CG2 3.45Å; F143-I176 VanDerWaalsContact CE2-CG2 3.45Å; F143-I176 HydrophobicContact CZ-CG2 3.7Å; V144-I176 WeakPolarHBondContact O-CA 3.35Å; K145-I176 HydrophobicContact CD-CD1 4.43Å; K145-I176 HydrophobicContact CD-CG1 4.14Å; K145-I176 HydrophobicContact CG-CG1 4.07Å; E174-I176 HydrophobicContact CB-CG1 4.46Å
177	F	92.6	Very high	92.6	Very high	31 Å²	31	63.5 Å²	63.5	14%	0.136	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	117.5	168.3	-55.4	-96.3	0	0	0	107.9	F143 V144 L175 V180 D184 Y188 L206	F143-F177 CarbonylContact C-O 3.53Å; F143-F177 WeakPolarHBondContact CA-O 3.41Å; V144-F177 HydrophobicContact CB-CB 4.18Å; V144-F177 HydrophobicContact CB-CD2 4.07Å; V144-F177 HydrophobicContact CG1-CD2 4.29Å; V144-F177 PolarHBondContact N-O 3.03Å; V144-F177 PolarHBondContact O-N 2.85Å; L175-F177 HydrophobicContact CD2-CE2 3.84Å; L175-F177 HydrophobicContact CD2-CZ 3.84Å; L175-F177 HydrophobicContact CG-CE2 3.83Å; L175-F177 HydrophobicContact CG-CZ 4.09Å; F177-V180 HydrophobicContact CB-CB 4.37Å; F177-D184 HydrophobicContact CD1-CB 4.37Å; F177-D184 HydrophobicContact CE1-CB 4.2Å; F177-Y188 HydrophobicContact CE2-CE1 4.49Å; F177-Y188 AromaticContact CZ-CE1 3.72Å; F177-Y188 HydrophobicContact CZ-CE1 3.72Å; F177-Y188 AromaticContact CZ-CZ 3.73Å; F177-L206 HydrophobicContact CD2-CD2 4.28Å; F177-L206 HydrophobicContact CE2-CD2 3.99Å; F177-L206 HydrophobicContact CZ-CD2 4.36Å
178	N	87.4	Confident	92.7	Very high	135 Å²	135	62.1 Å²	62.1	72%	0.722	34%	0.341	S	S	*	.	S	Bend	trans	-71.4	-34.9	179.3	-69.3	-23.4	0	0	0	112.4
179	A	89.5	Confident	93	Very high	47 Å²	47	57.3 Å²	57.3	39%	0.388	31%	0.31	S	S	.	.	S	Bend	trans	-146.3	110.9	171.3	0	0	0	0	0	107.9	Q142 H181	Q142-A179 WeakPolarHBondContact O-CA 3.2Å; A179-H181 PolarHBondContact O-CE1 2.78Å; A179-H181 VanDerWaalsContact O-CE1 3.25Å; A179-H181 PolarHBondContact O-ND1 3Å; A179-H181 VanDerWaalsContact O-ND1 3.09Å
180	V	91.3	Very high	93.5	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.006	27%	0.274	C	S	.	.			trans	-79.8	140.1	-176.2	72.1	0	0	0	0	111.8	V138 L139 A140 G141 Q142 V144 F177 D184 L206 V208	V138-V180 HydrophobicContact CG2-CG1 3.83Å; L139-V180 WeakPolarHBondContact O-CG1 3.47Å; A140-V180 CarbonylContact C-O 3.54Å; A140-V180 WeakPolarHBondContact CA-O 3.49Å; G141-V180 PolarHBondContact N-O 3.32Å; Q142-V180 WeakPolarHBondContact O-CG1 3.45Å; Q142-V180 PolarHBondContact O-N 3.11Å; V144-V180 HydrophobicContact CG2-CB 3.79Å; V144-V180 HydrophobicContact CG2-CG1 3.84Å; V144-V180 HydrophobicContact CG2-CG2 4.15Å; F177-V180 HydrophobicContact CB-CB 4.37Å; V180-D184 HydrophobicContact CG2-CB 3.79Å; V180-L206 HydrophobicContact CG2-CD2 4.04Å; V180-V208 HydrophobicContact CG1-CG1 4Å; V180-V208 HydrophobicContact CG2-CG1 4.2Å; V180-V208 HydrophobicContact CG2-CG2 3.54Å
181	H	92	Very high	93.7	Very high	98 Å²	98	54.1 Å²	54.1	45%	0.454	29%	0.287	S	S	.	.			trans	-115.6	162.2	178	-58.8	73.2	0	0	0	110.8	A179 K183 D184	A179-H181 PolarHBondContact O-CE1 2.78Å; A179-H181 VanDerWaalsContact O-CE1 3.25Å; A179-H181 PolarHBondContact O-ND1 3Å; A179-H181 VanDerWaalsContact O-ND1 3.09Å; H181-K183 HydrophobicContact CB-CD 4.42Å; H181-K183 HydrophobicContact CB-CG 3.83Å; H181-K183 PolarHBondContact O-N 2.87Å; H181-D184 WeakPolarHBondContact CB-OD2 3.34Å; H181-D184 IonicContact CG-OD2 3.27Å; H181-D184 PolarHBondContact N-OD2 2.95Å; H181-D184 IonicContact ND1-OD2 3.43Å; H181-D184 PolarHBondContact ND1-OD2 2.9Å; H181-D184 WeakPolarHBondContact O-CA 3.32Å; H181-D184 VanDerWaalsContact O-CB 3.25Å; H181-D184 WeakPolarHBondContact O-CB 3.47Å; H181-D184 PolarHBondContact O-N 3.24Å
182	V	89.3	Confident	93.7	Very high	78 Å²	78	49.5 Å²	49.5	47%	0.473	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-55	-38.3	178.6	-175.5	0	0	0	0	112.4	A140 D184 A185 D210	A140-V182 HydrophobicContact CB-CG2 4.44Å; V182-D184 PolarHBondContact O-N 2.94Å; V182-D184 VanDerWaalsContact O-N 3.15Å; V182-A185 VanDerWaalsContact O-CB 3.29Å; V182-A185 WeakPolarHBondContact O-CB 3.47Å; V182-A185 PolarHBondContact O-N 2.73Å; V182-D210 HydrophobicContact CG2-CB 3.77Å
183	K	91.1	Very high	93.5	Very high	157 Å²	157	47.5 Å²	47.5	68%	0.683	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-60.8	-19.1	173.6	65.8	176.5	-174.5	-176.1	0	114.4	K162 H181	K162-K183 PolarHBondContact NZ-O 2.81Å; H181-K183 HydrophobicContact CB-CD 4.42Å; H181-K183 HydrophobicContact CB-CG 3.83Å; H181-K183 PolarHBondContact O-N 2.87Å
184	D	92.8	Very high	93.1	Very high	29 Å²	29	46.2 Å²	46.2	16%	0.155	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-85.7	-11.6	179.1	-53.9	-38.2	0	0	0	111.1	K162 F177 V180 H181 V182 Y188	K162-D184 VanDerWaalsContact NZ-CA 3.35Å; K162-D184 PolarHBondContact NZ-O 2.73Å; F177-D184 HydrophobicContact CD1-CB 4.37Å; F177-D184 HydrophobicContact CE1-CB 4.2Å; V180-D184 HydrophobicContact CG2-CB 3.79Å; H181-D184 WeakPolarHBondContact CB-OD2 3.34Å; H181-D184 IonicContact CG-OD2 3.27Å; H181-D184 PolarHBondContact N-OD2 2.95Å; H181-D184 IonicContact ND1-OD2 3.43Å; H181-D184 PolarHBondContact ND1-OD2 2.9Å; H181-D184 WeakPolarHBondContact O-CA 3.32Å; H181-D184 VanDerWaalsContact O-CB 3.25Å; H181-D184 WeakPolarHBondContact O-CB 3.47Å; H181-D184 PolarHBondContact O-N 3.24Å; V182-D184 PolarHBondContact O-N 2.94Å; V182-D184 VanDerWaalsContact O-N 3.15Å; D184-Y188 WeakPolarHBondContact O-CE2 3.23Å; D184-Y188 PolarHBondContact O-OH 2.82Å
185	A	93.9	Very high	92.1	Very high	33 Å²	33	49.6 Å²	49.6	27%	0.273	26%	0.259	S	S	.	.			trans	-60	144	170.7	0	0	0	0	0	112.8	K162 V182 L206 V208	K162-A185 WeakPolarHBondContact CE-O 3.38Å; K162-A185 PolarHBondContact NZ-O 2.54Å; V182-A185 VanDerWaalsContact O-CB 3.29Å; V182-A185 WeakPolarHBondContact O-CB 3.47Å; V182-A185 PolarHBondContact O-N 2.73Å; A185-L206 CarbonylContact C-O 3.57Å; A185-L206 VanDerWaalsContact CA-O 3.23Å; A185-L206 WeakPolarHBondContact CA-O 3.19Å; A185-V208 HydrophobicContact CB-CB 4.06Å; A185-V208 HydrophobicContact CB-CG2 3.89Å
186	G	93.2	Very high	90.9	Very high	13 Å²	13	54.3 Å²	54.3	13%	0.134	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	146.7	-169.5	178.1	0	0	0	0	0	113.7	Y188 L206	G186-Y188 WeakPolarHBondContact O-CD2 2.99Å; G186-L206 PolarHBondContact N-O 3.33Å; G186-L206 PolarHBondContact O-N 2.96Å
187	F	95.9	Very high	90.2	Very high	94 Å²	94	53.4 Å²	53.4	41%	0.412	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	132.4	-178.4	-62	-83.9	0	0	0	111.7	K162 M163 W203 Q205	K162-F187 WeakPolarHBondContact CA-O 3.13Å; M163-F187 PolarHBondContact N-O 2.83Å; F187-W203 HydrophobicContact CB-CE3 3.74Å; F187-W203 HydrophobicContact CB-CZ3 4.1Å; F187-Q205 HydrophobicContact CD1-CB 3.89Å; F187-Q205 HydrophobicContact CD1-CG 4.18Å; F187-Q205 HydrophobicContact CE1-CB 3.7Å; F187-Q205 HydrophobicContact CE1-CG 3.75Å; F187-Q205 HydrophobicContact CZ-CG 4.14Å
188	Y	96.8	Very high	90.1	Very high	4 Å²	4	57.8 Å²	57.8	2%	0.016	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	137.8	-176.5	-71	-92.9	0	0	0	110.9	L146 F161 K162 I167 L175 F177 D184 G186 W203 S204 L206	L146-Y188 HydrophobicContact CD1-CD1 4.44Å; L146-Y188 HydrophobicContact CD1-CD2 4.14Å; L146-Y188 HydrophobicContact CD1-CG 3.85Å; F161-Y188 WeakPolarHBondContact O-CA 3.34Å; K162-Y188 HydrophobicContact CB-CD1 4.2Å; K162-Y188 HydrophobicContact CB-CE1 3.85Å; K162-Y188 HydrophobicContact CD-CE1 4.2Å; K162-Y188 HydrophobicContact CD-CE2 4.44Å; K162-Y188 WeakPolarHBondContact CD-OH 3.29Å; K162-Y188 HydrophobicContact CG-CE1 4.02Å; K162-Y188 HydrophobicContact CG-CE2 4.35Å; K162-Y188 PolarHBondContact NZ-OH 3.05Å; I167-Y188 HydrophobicContact CD1-CD1 3.64Å; I167-Y188 HydrophobicContact CD1-CE1 3.48Å; I167-Y188 VanDerWaalsContact CD1-CE1 3.48Å; L175-Y188 HydrophobicContact CD2-CD1 3.5Å; L175-Y188 HydrophobicContact CD2-CE1 3.75Å; L175-Y188 HydrophobicContact CD2-CG 4.43Å; F177-Y188 HydrophobicContact CE2-CE1 4.49Å; F177-Y188 AromaticContact CZ-CE1 3.72Å; F177-Y188 HydrophobicContact CZ-CE1 3.72Å; F177-Y188 AromaticContact CZ-CZ 3.73Å; D184-Y188 WeakPolarHBondContact O-CE2 3.23Å; D184-Y188 PolarHBondContact O-OH 2.82Å; G186-Y188 WeakPolarHBondContact O-CD2 2.99Å; Y188-W203 WeakPolarHBondContact O-CA 3.32Å; Y188-S204 PolarHBondContact N-O 3.3Å; Y188-S204 PolarHBondContact O-N 2.88Å; Y188-L206 HydrophobicContact CD2-CB 3.97Å; Y188-L206 HydrophobicContact CE2-CB 3.83Å; Y188-L206 HydrophobicContact CE2-CD2 4.1Å
189	V	97.3	Very high	90.2	Very high	6 Å²	6	56 Å²	56	4%	0.036	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	146.3	173.8	68.2	0	0	0	0	110.1	F161 F200 S201 W203	F161-V189 HydrophobicContact CB-CG1 3.91Å; F161-V189 PolarHBondContact N-O 3.09Å; F161-V189 PolarHBondContact O-N 2.67Å; V189-F200 HydrophobicContact CG1-CD1 4.29Å; V189-F200 HydrophobicContact CG2-CB 4.11Å; V189-F200 HydrophobicContact CG2-CD1 3.99Å; V189-S201 VanDerWaalsContact CG2-O 3.26Å; V189-S201 WeakPolarHBondContact CG2-O 3.24Å; V189-W203 HydrophobicContact CB-CD2 3.92Å; V189-W203 HydrophobicContact CB-CE3 3.65Å; V189-W203 HydrophobicContact CB-CH2 3.98Å; V189-W203 HydrophobicContact CB-CZ2 4.21Å; V189-W203 HydrophobicContact CB-CZ3 3.69Å; V189-W203 HydrophobicContact CG1-CD2 4.46Å; V189-W203 HydrophobicContact CG1-CE3 4.07Å; V189-W203 HydrophobicContact CG1-CH2 3.45Å; V189-W203 VanDerWaalsContact CG1-CH2 3.45Å; V189-W203 HydrophobicContact CG1-CZ2 3.89Å; V189-W203 HydrophobicContact CG1-CZ3 3.55Å; V189-W203 HydrophobicContact CG2-CD2 4.49Å
190	C	97.3	Very high	90.5	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	123.1	174.5	-169.9	0	0	0	0	110.3	C148 W160 F200 S201	C148-C190 HydrophobicContact CB-CB 3.55Å; W160-C190 HydrophobicContact CD2-CB 3.81Å; W160-C190 HydrophobicContact CE3-CB 3.78Å; W160-C190 HydrophobicContact CH2-CB 3.84Å; W160-C190 HydrophobicContact CZ2-CB 3.87Å; W160-C190 HydrophobicContact CZ3-CB 3.81Å; C190-F200 WeakPolarHBondContact O-CA 3.25Å; C190-S201 PolarHBondContact N-OG 2.89Å; C190-S201 PolarHBondContact O-N 3.5Å
191	R	96	Very high	90.7	Very high	76 Å²	76	58.9 Å²	58.9	29%	0.287	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	127.7	165.8	-170.4	-179.3	63.1	-168.5	-5.6	108.9	Y158 Q159 F161 F198 E199 F200	Y158-R191 CarbonylContact C-O 3.54Å; Y158-R191 WeakPolarHBondContact CA-O 3.43Å; Q159-R191 PolarHBondContact N-O 3.33Å; Q159-R191 PolarHBondContact O-N 2.7Å; F161-R191 HydrophobicContact CD2-CB 4.32Å; F161-R191 HydrophobicContact CE2-CB 3.74Å; R191-F198 HydrophobicContact CG-CB 4.1Å; R191-F198 HydrophobicContact CG-CD2 4.38Å; R191-F198 HydrophobicContact CG-CG 4.5Å; R191-E199 CarbonylContact C-O 3.54Å; R191-E199 WeakPolarHBondContact CA-O 3.23Å; R191-F200 HydrophobicContact CB-CD1 3.83Å; R191-F200 HydrophobicContact CB-CE1 3.56Å; R191-F200 HydrophobicContact CB-CZ 4.2Å; R191-F200 HydrophobicContact CG-CD1 4.21Å; R191-F200 HydrophobicContact CG-CE1 3.84Å; R191-F200 HydrophobicContact CG-CE2 4.45Å; R191-F200 HydrophobicContact CG-CZ 3.97Å
192	V	95.9	Very high	90.9	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	131.3	170.2	-175.1	0	0	0	0	107.8	I127 I129 A150 V156 Q157 Y158 F198 E199	I127-V192 HydrophobicContact CG2-CB 4.11Å; I127-V192 HydrophobicContact CG2-CG1 3.7Å; I129-V192 HydrophobicContact CD1-CG2 4.25Å; I129-V192 HydrophobicContact CG1-CG2 4.26Å; A150-V192 HydrophobicContact CB-CB 4.24Å; A150-V192 HydrophobicContact CB-CG1 3.6Å; A150-V192 HydrophobicContact CB-CG2 3.88Å; V156-V192 HydrophobicContact CB-CG1 3.72Å; V156-V192 HydrophobicContact CG1-CG1 3.84Å; V156-V192 HydrophobicContact CG2-CG1 4.44Å; Q157-V192 CarbonylContact O-C 3.59Å; Q157-V192 WeakPolarHBondContact O-CA 3.44Å; Y158-V192 HydrophobicContact CD1-CG2 3.86Å; Y158-V192 HydrophobicContact CE1-CG1 4.5Å; Y158-V192 HydrophobicContact CE1-CG2 3.86Å; V192-F198 CarbonylContact O-C 3.46Å; V192-F198 WeakPolarHBondContact O-CA 3.31Å; V192-F198 WeakPolarHBondContact O-CB 3.42Å; V192-E199 PolarHBondContact N-O 3.25Å; V192-E199 PolarHBondContact O-N 3.05Å
193	N	90.9	Very high	91.1	Very high	27 Å²	27	63.2 Å²	63.2	14%	0.144	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	158.9	177	83.1	88.5	0	0	0	111.9	V156 Q157 N195 T197 F198	V156-N193 CarbonylContact C-O 3.58Å; V156-N193 WeakPolarHBondContact CA-O 3.38Å; Q157-N193 PolarHBondContact N-O 3.26Å; Q157-N193 PolarHBondContact O-N 3.15Å; N193-N195 PolarHBondContact OD1-N 3.18Å; N193-T197 WeakPolarHBondContact CA-O 3.35Å; N193-F198 HydrophobicContact CB-CB 3.78Å
194	N	85.4	Confident	91.4	Very high	8 Å²	8	55.8 Å²	55.8	4%	0.043	28%	0.275	C	S	.	.			trans	-129.5	26.8	179.6	71.6	-16.8	0	0	0	112.8	I127 H153 F155 V196 T197	I127-N194 HydrophobicContact CD1-CB 3.98Å; I127-N194 HydrophobicContact CG1-CB 4.04Å; H153-N194 PolarHBondContact O-ND2 3.07Å; F155-N194 WeakPolarHBondContact O-CA 3.43Å; F155-N194 VanDerWaalsContact O-CB 3.32Å; F155-N194 WeakPolarHBondContact O-CB 3.23Å; N194-V196 PolarHBondContact O-N 2.96Å; N194-V196 VanDerWaalsContact O-N 3.14Å; N194-V196 PolarHBondContact OD1-N 3.1Å; N194-V196 VanDerWaalsContact OD1-N 3.11Å; N194-T197 PolarHBondContact N-O 3.48Å; N194-T197 PolarHBondContact OD1-N 3.31Å; N194-T197 PolarHBondContact OD1-O 3.02Å; N194-T197 VanDerWaalsContact OD1-O 3.14Å; N194-T197 PolarHBondContact OD1-OG1 2.68Å
195	N	76.7	Confident	91.5	Very high	108 Å²	108	57.6 Å²	57.6	58%	0.578	28%	0.283	S	S	*	.	S	Bend	trans	62.5	0.8	-170.5	-52.9	-34.4	0	0	0	116.4	N193	N193-N195 PolarHBondContact OD1-N 3.18Å
196	V	70.8	Confident	91.6	Very high	113 Å²	113	56.1 Å²	56.1	69%	0.685	27%	0.27	S	S	*	.	S	Bend	trans	-121.5	-46.2	177.3	-175.1	0	0	0	0	111	N194	N194-V196 PolarHBondContact O-N 2.96Å; N194-V196 VanDerWaalsContact O-N 3.14Å; N194-V196 PolarHBondContact OD1-N 3.1Å; N194-V196 VanDerWaalsContact OD1-N 3.11Å
197	T	78.8	Confident	91.6	Very high	64 Å²	64	57.2 Å²	57.2	39%	0.393	27%	0.273	S	S	.	.			trans	-130.2	173.1	173.8	65.3	0	0	0	0	110.6	I127 N193 N194	I127-T197 VanDerWaalsContact CD1-O 3.31Å; I127-T197 WeakPolarHBondContact CD1-O 3.21Å; N193-T197 WeakPolarHBondContact CA-O 3.35Å; N194-T197 PolarHBondContact N-O 3.48Å; N194-T197 PolarHBondContact OD1-N 3.31Å; N194-T197 PolarHBondContact OD1-O 3.02Å; N194-T197 VanDerWaalsContact OD1-O 3.14Å; N194-T197 PolarHBondContact OD1-OG1 2.68Å
198	F	89.3	Confident	91.4	Very high	123 Å²	123	53.1 Å²	53.1	54%	0.539	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	155.5	168.7	63.5	-95.4	0	0	0	110.3	R191 V192 N193 F200	R191-F198 HydrophobicContact CG-CB 4.1Å; R191-F198 HydrophobicContact CG-CD2 4.38Å; R191-F198 HydrophobicContact CG-CG 4.5Å; V192-F198 CarbonylContact O-C 3.46Å; V192-F198 WeakPolarHBondContact O-CA 3.31Å; V192-F198 WeakPolarHBondContact O-CB 3.42Å; N193-F198 HydrophobicContact CB-CB 3.78Å; F198-F200 HydrophobicContact CD2-CD2 4.16Å; F198-F200 AromaticContact CD2-CE2 3.79Å; F198-F200 HydrophobicContact CD2-CE2 3.79Å; F198-F200 HydrophobicContact CE2-CD2 4.21Å; F198-F200 AromaticContact CE2-CE2 3.64Å; F198-F200 HydrophobicContact CE2-CE2 3.64Å
199	E	91.1	Very high	91	Very high	97 Å²	97	53.3 Å²	53.3	45%	0.453	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	153.9	174.7	-77.1	-63.2	165.1	0	0	109.3	I127 I129 R191 V192	I127-E199 HydrophobicContact CB-CB 4.36Å; I127-E199 HydrophobicContact CB-CG 3.93Å; I127-E199 HydrophobicContact CG2-CB 4.02Å; I127-E199 HydrophobicContact CG2-CG 4.1Å; I129-E199 HydrophobicContact CD1-CB 4.21Å; I129-E199 HydrophobicContact CG1-CB 4.43Å; R191-E199 CarbonylContact C-O 3.54Å; R191-E199 WeakPolarHBondContact CA-O 3.23Å; V192-E199 PolarHBondContact N-O 3.25Å; V192-E199 PolarHBondContact O-N 3.05Å
200	F	95.1	Very high	90.4	Very high	100 Å²	100	58.1 Å²	58.1	44%	0.439	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	140.5	176.3	-75.3	-84	0	0	0	111.1	I129 F161 V189 C190 R191 F198	I129-F200 VanDerWaalsContact CD1-O 3.27Å; I129-F200 WeakPolarHBondContact CD1-O 3.42Å; F161-F200 HydrophobicContact CD2-CE1 4.43Å; F161-F200 HydrophobicContact CE2-CE1 4.47Å; V189-F200 HydrophobicContact CG1-CD1 4.29Å; V189-F200 HydrophobicContact CG2-CB 4.11Å; V189-F200 HydrophobicContact CG2-CD1 3.99Å; C190-F200 WeakPolarHBondContact O-CA 3.25Å; R191-F200 HydrophobicContact CB-CD1 3.83Å; R191-F200 HydrophobicContact CB-CE1 3.56Å; R191-F200 HydrophobicContact CB-CZ 4.2Å; R191-F200 HydrophobicContact CG-CD1 4.21Å; R191-F200 HydrophobicContact CG-CE1 3.84Å; R191-F200 HydrophobicContact CG-CE2 4.45Å; R191-F200 HydrophobicContact CG-CZ 3.97Å; F198-F200 HydrophobicContact CD2-CD2 4.16Å; F198-F200 AromaticContact CD2-CE2 3.79Å; F198-F200 HydrophobicContact CD2-CE2 3.79Å; F198-F200 HydrophobicContact CE2-CD2 4.21Å; F198-F200 AromaticContact CE2-CE2 3.64Å; F198-F200 HydrophobicContact CE2-CE2 3.64Å
201	S	96.3	Very high	89.4	Confident	8 Å²	8	58.4 Å²	58.4	6%	0.056	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-65.1	168.5	171.2	74.3	0	0	0	0	111.4	N132 V189 C190	N132-S201 WeakPolarHBondContact OD1-CA 3.46Å; V189-S201 VanDerWaalsContact CG2-O 3.26Å; V189-S201 WeakPolarHBondContact CG2-O 3.24Å; C190-S201 PolarHBondContact N-OG 2.89Å; C190-S201 PolarHBondContact O-N 3.5Å
202	Q	94.3	Very high	88.2	Confident	130 Å²	130	58.8 Å²	58.8	61%	0.607	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-59.4	153.1	158.9	-68.5	173.3	-33.9	0	0	110.3	N132	N132-Q202 HydrophobicContact CB-CB 4.11Å; N132-Q202 HydrophobicContact CB-CG 4.47Å; N132-Q202 PolarHBondContact ND2-OE1 3.19Å; N132-Q202 PolarHBondContact OD1-N 3.47Å
203	W	95.3	Very high	86.7	Confident	138 Å²	138	65 Å²	65	52%	0.523	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-72.3	135.4	173.9	-72.4	98.3	0	0	0	110.7	M163 F187 Y188 V189	M163-W203 WeakPolarHBondContact O-CH2 3.44Å; F187-W203 HydrophobicContact CB-CE3 3.74Å; F187-W203 HydrophobicContact CB-CZ3 4.1Å; Y188-W203 WeakPolarHBondContact O-CA 3.32Å; V189-W203 HydrophobicContact CB-CD2 3.92Å; V189-W203 HydrophobicContact CB-CE3 3.65Å; V189-W203 HydrophobicContact CB-CH2 3.98Å; V189-W203 HydrophobicContact CB-CZ2 4.21Å; V189-W203 HydrophobicContact CB-CZ3 3.69Å; V189-W203 HydrophobicContact CG1-CD2 4.46Å; V189-W203 HydrophobicContact CG1-CE3 4.07Å; V189-W203 HydrophobicContact CG1-CH2 3.45Å; V189-W203 VanDerWaalsContact CG1-CH2 3.45Å; V189-W203 HydrophobicContact CG1-CZ2 3.89Å; V189-W203 HydrophobicContact CG1-CZ3 3.55Å; V189-W203 HydrophobicContact CG2-CD2 4.49Å
204	S	95.8	Very high	85.2	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	125	171.9	165.5	0	0	0	0	109.6	E134 Y188	E134-S204 PolarHBondContact O-OG 3.25Å; Y188-S204 PolarHBondContact N-O 3.3Å; Y188-S204 PolarHBondContact O-N 2.88Å
205	Q	95.8	Very high	83.9	Confident	68 Å²	68	71.7 Å²	71.7	32%	0.318	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	124	172.1	-173.9	175.4	-16.8	0	0	109.7	S135 K136 F187 I255	S135-Q205 CarbonylContact C-O 3.55Å; S135-Q205 WeakPolarHBondContact CA-O 3.45Å; S135-Q205 WeakPolarHBondContact CB-O 3.46Å; S135-Q205 PolarHBondContact OG-N 3.47Å; K136-Q205 PolarHBondContact N-O 3Å; F187-Q205 HydrophobicContact CD1-CB 3.89Å; F187-Q205 HydrophobicContact CD1-CG 4.18Å; F187-Q205 HydrophobicContact CE1-CB 3.7Å; F187-Q205 HydrophobicContact CE1-CG 3.75Å; F187-Q205 HydrophobicContact CZ-CG 4.14Å; Q205-I255 HydrophobicContact CB-CD1 4.13Å; Q205-I255 HydrophobicContact CG-CD1 3.81Å
206	L	95.3	Very high	83.1	Confident	1 Å²	1	70.7 Å²	70.7	1%	0.005	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	118.5	166.3	179.6	58	0	0	0	108.3	V138 V144 F177 V180 A185 G186 Y188 V208	V138-L206 HydrophobicContact CG2-CD1 3.81Å; V144-L206 HydrophobicContact CG1-CD1 3.79Å; V144-L206 HydrophobicContact CG1-CD2 4.23Å; V144-L206 HydrophobicContact CG2-CD1 4.37Å; F177-L206 HydrophobicContact CD2-CD2 4.28Å; F177-L206 HydrophobicContact CE2-CD2 3.99Å; F177-L206 HydrophobicContact CZ-CD2 4.36Å; V180-L206 HydrophobicContact CG2-CD2 4.04Å; A185-L206 CarbonylContact C-O 3.57Å; A185-L206 VanDerWaalsContact CA-O 3.23Å; A185-L206 WeakPolarHBondContact CA-O 3.19Å; G186-L206 PolarHBondContact N-O 3.33Å; G186-L206 PolarHBondContact O-N 2.96Å; Y188-L206 HydrophobicContact CD2-CB 3.97Å; Y188-L206 HydrophobicContact CE2-CB 3.83Å; Y188-L206 HydrophobicContact CE2-CD2 4.1Å; L206-V208 HydrophobicContact CG-CG2 4.05Å
207	D	93.5	Very high	82.2	Confident	37 Å²	37	74.9 Å²	74.9	20%	0.198	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	131.6	178.1	-175.7	-1.4	0	0	0	109	K136 A137 V138 I255 K273	K136-D207 PolarHBondContact O-N 3.05Å; A137-D207 CarbonylContact C-O 3.38Å; A137-D207 WeakPolarHBondContact CA-O 3.42Å; A137-D207 HydrophobicContact CB-CB 4.07Å; V138-D207 WeakPolarHBondContact CG2-O 3.13Å; V138-D207 PolarHBondContact N-O 3.03Å; D207-I255 HydrophobicContact CB-CD1 3.91Å; D207-K273 IonicContact OD1-NZ 3.91Å; D207-K273 PolarHBondContact OD1-NZ 3.37Å; D207-K273 WeakPolarHBondContact OD2-CE 3.07Å; D207-K273 IonicContact OD2-NZ 3.6Å; D207-K273 PolarHBondContact OD2-NZ 3.31Å
208	V	92.8	Very high	81.1	Confident	8 Å²	8	75.7 Å²	75.7	5%	0.048	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	102.7	-168.2	-173.1	0	0	0	0	109.5	V138 A140 V180 A185 L206	V138-V208 HydrophobicContact CG2-CG2 4.3Å; V138-V208 WeakPolarHBondContact O-CA 3.22Å; A140-V208 HydrophobicContact CB-CG1 3.83Å; V180-V208 HydrophobicContact CG1-CG1 4Å; V180-V208 HydrophobicContact CG2-CG1 4.2Å; V180-V208 HydrophobicContact CG2-CG2 3.54Å; A185-V208 HydrophobicContact CB-CB 4.06Å; A185-V208 HydrophobicContact CB-CG2 3.89Å; L206-V208 HydrophobicContact CG-CG2 4.05Å
209	C	88.5	Confident	79.5	Confident	8 Å²	8	70.5 Å²	70.5	5%	0.054	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	121.5	-178.1	-59.2	0	0	0	0	110.1	V138 L139 A140 V211 V249 K273	V138-C209 PolarHBondContact O-N 2.95Å; L139-C209 WeakPolarHBondContact CA-O 3.4Å; L139-C209 HydrophobicContact CD2-CB 4.01Å; A140-C209 PolarHBondContact N-O 2.61Å; C209-V211 HydrophobicContact CB-CG1 4.48Å; C209-V249 HydrophobicContact CB-CG1 3.83Å; C209-V249 WeakPolarHBondContact SG-CG1 3.25Å; C209-K273 PolarHBondContact SG-NZ 3.36Å
210	D	84.1	Confident	77.4	Confident	106 Å²	106	73.5 Å²	73.5	57%	0.567	36%	0.363	S	S	*	.			trans	-92.1	122.7	166.6	-156.3	16.2	0	0	0	108.8	V182 R216	V182-D210 HydrophobicContact CG2-CB 3.77Å; D210-R216 IonicContact OD1-CZ 2.81Å; D210-R216 IonicContact OD1-NH1 2.92Å; D210-R216 PolarHBondContact OD1-NH1 3.15Å; D210-R216 IonicContact OD1-NH2 3.53Å; D210-R216 PolarHBondContact OD1-NH2 3.17Å
211	V	76.6	Confident	75.4	Confident	6 Å²	6	72.7 Å²	72.7	4%	0.036	38%	0.382	C	S	.	.			trans	-128	150.3	-176.5	-61.2	0	0	0	0	109.9	L139 C209 F215 R216 C230 V231	L139-V211 HydrophobicContact CD1-CG2 4.08Å; L139-V211 HydrophobicContact CD2-CG1 3.88Å; L139-V211 HydrophobicContact CD2-CG2 3.8Å; L139-V211 HydrophobicContact CG-CG2 4.48Å; C209-V211 HydrophobicContact CB-CG1 4.48Å; V211-F215 HydrophobicContact CG2-CB 4.42Å; V211-R216 HydrophobicContact CG2-CG 4.3Å; V211-C230 HydrophobicContact CG1-CB 4.41Å; V211-V231 HydrophobicContact CG1-CG2 3.96Å
212	P	71	Confident	73.3	Confident	85 Å²	85	74.6 Å²	74.6	55%	0.552	39%	0.394	S	S	*	.			trans	-54.7	146.3	-179.7	-26.9	35.6	0	0	0	113.4	S214 F215	P212-S214 PolarHBondContact O-N 3.21Å; P212-F215 PolarHBondContact O-N 3.35Å
213	E	62.4	Low	71.7	Confident	131 Å²	131	72.1 Å²	72.1	61%	0.612	39%	0.391	S	S	*	.	H	α-helix	trans	-56.6	-23.4	-177.6	-75.1	-168.6	146.2	0	0	114.6	F215 R216	E213-F215 VanDerWaalsContact C-N 3.28Å; E213-F215 PolarHBondContact O-N 2.65Å; E213-R216 PolarHBondContact O-N 2.72Å
214	S	59.5	Low	70.1	Confident	94 Å²	94	69.2 Å²	69.2	66%	0.657	38%	0.383	S	S	*	.	H	α-helix	trans	-60.2	-34.7	174.5	48.5	0	0	0	0	112.9	P212	P212-S214 PolarHBondContact O-N 3.21Å
215	F	59.2	Low	68.8	Low	81 Å²	81	72.4 Å²	72.4	36%	0.355	41%	0.405	S	S	.	.	H	α-helix	trans	-86.3	-27	175.9	-106	-89.4	0	0	0	113.1	V211 P212 E213 R217 S218 V219 C230	V211-F215 HydrophobicContact CG2-CB 4.42Å; P212-F215 PolarHBondContact O-N 3.35Å; E213-F215 VanDerWaalsContact C-N 3.28Å; E213-F215 PolarHBondContact O-N 2.65Å; F215-R217 PolarHBondContact O-N 3.36Å; F215-S218 PolarHBondContact O-N 3.03Å; F215-S218 PolarHBondContact O-OG 3.12Å; F215-V219 WeakPolarHBondContact O-CG2 3.44Å; F215-C230 WeakPolarHBondContact CE1-O 3.36Å
216	R	59.4	Low	68.2	Low	87 Å²	87	75 Å²	75	33%	0.328	42%	0.415	S	S	.	.	H	α-helix	trans	-58.6	-35.2	177.9	-76.9	-172.1	162.4	119	7.2	112.6	A140 D210 V211 E213 S218	A140-R216 PolarHBondContact O-NE 3.31Å; A140-R216 PolarHBondContact O-NH2 3.28Å; D210-R216 IonicContact OD1-CZ 2.81Å; D210-R216 IonicContact OD1-NH1 2.92Å; D210-R216 PolarHBondContact OD1-NH1 3.15Å; D210-R216 IonicContact OD1-NH2 3.53Å; D210-R216 PolarHBondContact OD1-NH2 3.17Å; V211-R216 HydrophobicContact CG2-CG 4.3Å; E213-R216 PolarHBondContact O-N 2.72Å; R216-S218 VanDerWaalsContact C-N 3.33Å; R216-S218 PolarHBondContact O-N 3.46Å
217	R	53.2	Low	68	Low	201 Å²	201	75 Å²	75	76%	0.758	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-11.5	-178.6	-59.4	-176.4	-162.3	168.5	7.6	114.9	F215	F215-R217 PolarHBondContact O-N 3.36Å
218	S	54.6	Low	67.8	Low	80 Å²	80	75.8 Å²	75.8	56%	0.559	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	4.9	176.6	53.5	0	0	0	0	113.7	F215 R216	F215-S218 PolarHBondContact O-N 3.03Å; F215-S218 PolarHBondContact O-OG 3.12Å; R216-S218 VanDerWaalsContact C-N 3.33Å; R216-S218 PolarHBondContact O-N 3.46Å
219	V	54.9	Low	67.7	Low	14 Å²	14	76 Å²	76	9%	0.085	42%	0.418	C	S	.	.			trans	-117.6	5.8	-170.8	-177	0	0	0	0	112.6	L139 F215 G221 V222	L139-V219 HydrophobicContact CD1-CB 4.48Å; L139-V219 HydrophobicContact CD1-CG1 4.09Å; L139-V219 HydrophobicContact CD1-CG2 4.37Å; F215-V219 WeakPolarHBondContact O-CG2 3.44Å; V219-G221 PolarHBondContact O-N 2.83Å; V219-V222 HydrophobicContact CB-CG2 4.47Å; V219-V222 HydrophobicContact CG1-CB 4.05Å; V219-V222 HydrophobicContact CG1-CG2 3.88Å; V219-V222 PolarHBondContact O-N 3.12Å
220	D	47.8	Very low	67.7	Low	161 Å²	161	75.6 Å²	75.6	86%	0.861	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	95.1	168.7	-83	-30	0	0	0	110.5
221	G	52.6	Low	68	Low	82 Å²	82	72 Å²	72	85%	0.845	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	127.6	1.4	177.1	0	0	0	0	0	116.1	V219	V219-G221 PolarHBondContact O-N 2.83Å
222	V	53.6	Low	68.8	Low	49 Å²	49	74.1 Å²	74.1	30%	0.297	41%	0.407	S	S	.	.			trans	-78.8	130.8	177.8	-178.5	0	0	0	0	111	V219	V219-V222 HydrophobicContact CB-CG2 4.47Å; V219-V222 HydrophobicContact CG1-CB 4.05Å; V219-V222 HydrophobicContact CG1-CG2 3.88Å; V219-V222 PolarHBondContact O-N 3.12Å
223	S	59.5	Low	70	Confident	78 Å²	78	70.5 Å²	70.5	55%	0.545	38%	0.384	S	S	.	.			trans	-69	129.2	175.3	-179.6	0	0	0	0	111.3	S225 K226	S223-S225 PolarHBondContact O-N 2.69Å; S223-K226 PolarHBondContact O-N 3.46Å; S223-K226 VanDerWaalsContact O-N 3.08Å
224	E	61.8	Low	71.5	Confident	76 Å²	76	68.8 Å²	68.8	36%	0.355	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-21.5	178.4	-68.9	174.8	-150.5	0	0	114.4	F143	F143-E224 WeakPolarHBondContact CD1-OE1 3.36Å
225	S	68	Low	73.2	Confident	67 Å²	67	67.4 Å²	67.4	47%	0.469	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-8.2	-176	-51.2	0	0	0	0	115	S223	S223-S225 PolarHBondContact O-N 2.69Å
226	K	83.6	Confident	74.7	Confident	122 Å²	122	66 Å²	66	53%	0.53	37%	0.367	S	S	.	.	S	Bend	trans	-94.8	140.5	-176.3	-165.4	179.6	175.6	-179.3	0	111.6	S223 D297	S223-K226 PolarHBondContact O-N 3.46Å; S223-K226 VanDerWaalsContact O-N 3.08Å; K226-D297 WeakPolarHBondContact CE-OD2 3.35Å; K226-D297 WeakPolarHBondContact CG-OD2 3.41Å
227	L	90.6	Very high	76.2	Confident	3 Å²	3	70 Å²	70	2%	0.016	39%	0.387	C	S	.	.			trans	-69.3	132.4	169.3	-175.1	68.6	0	0	0	110.7	A250 V251 P256 V292 D297 Q299	L227-A250 HydrophobicContact CD1-CB 4.28Å; L227-V251 WeakPolarHBondContact CA-O 3.43Å; L227-P256 HydrophobicContact CD1-CB 3.68Å; L227-P256 HydrophobicContact CD1-CG 3.56Å; L227-V292 HydrophobicContact CD1-CG1 3.94Å; L227-V292 HydrophobicContact CD2-CG1 4.33Å; L227-V292 WeakPolarHBondContact CD2-O 3.4Å; L227-D297 HydrophobicContact CB-CB 3.77Å; L227-D297 HydrophobicContact CD2-CB 4.47Å; L227-D297 WeakPolarHBondContact CD2-O 3.45Å; L227-Q299 HydrophobicContact CD2-CB 4.29Å
228	Q	89.9	Confident	77.9	Confident	52 Å²	52	61.8 Å²	61.8	24%	0.243	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	129.1	173.2	179.4	172.1	-5.8	0	0	112	A250 V251	Q228-A250 CarbonylContact O-C 3.58Å; Q228-A250 WeakPolarHBondContact O-CA 3.26Å; Q228-A250 VanDerWaalsContact O-CB 3.32Å; Q228-A250 WeakPolarHBondContact O-CB 3.16Å; Q228-V251 HydrophobicContact CB-CG2 4.28Å; Q228-V251 PolarHBondContact N-O 3.26Å; Q228-V251 PolarHBondContact O-N 3.04Å
229	I	91.8	Very high	79.3	Confident	12 Å²	12	62 Å²	62	6%	0.062	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	125.9	167.1	-60.8	177.2	0	0	0	109.4	V231 E232 A250 V292 Q299	I229-V231 VanDerWaalsContact CG2-O 3.26Å; I229-V231 WeakPolarHBondContact CG2-O 3.35Å; I229-E232 HydrophobicContact CG2-CG 4.37Å; I229-A250 HydrophobicContact CG1-CB 4.23Å; I229-V292 HydrophobicContact CD1-CB 4.37Å; I229-V292 HydrophobicContact CD1-CG2 3.81Å; I229-V292 HydrophobicContact CG1-CB 4.35Å; I229-V292 HydrophobicContact CG1-CG2 3.96Å; I229-Q299 HydrophobicContact CD1-CB 4.37Å; I229-Q299 HydrophobicContact CD1-CG 3.88Å; I229-Q299 HydrophobicContact CG1-CG 4.16Å
230	C	88.5	Confident	80.7	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.007	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	-22.4	179.1	-57.5	0	0	0	0	113.2	L139 V211 F215 V249	L139-C230 HydrophobicContact CD2-CB 4.38Å; V211-C230 HydrophobicContact CG1-CB 4.41Å; F215-C230 WeakPolarHBondContact CE1-O 3.36Å; C230-V249 PolarHBondContact N-O 2.94Å
231	V	89.9	Confident	81.9	Confident	30 Å²	30	59 Å²	59	18%	0.182	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	127.6	173.6	-177	0	0	0	0	108.2	V211 I229 Q247 C248 V249	V211-V231 HydrophobicContact CG1-CG2 3.96Å; I229-V231 VanDerWaalsContact CG2-O 3.26Å; I229-V231 WeakPolarHBondContact CG2-O 3.35Å; V231-Q247 HydrophobicContact CG1-CB 4.36Å; V231-Q247 HydrophobicContact CG1-CG 3.97Å; V231-C248 WeakPolarHBondContact O-CA 3.39Å; V231-V249 HydrophobicContact CB-CB 3.82Å; V231-V249 HydrophobicContact CB-CG2 3.99Å; V231-V249 HydrophobicContact CG2-CB 3.89Å; V231-V249 HydrophobicContact CG2-CG2 4.1Å; V231-V249 PolarHBondContact N-O 3.19Å; V231-V249 PolarHBondContact O-N 2.73Å
232	E	93.3	Very high	83.3	Confident	50 Å²	50	56.9 Å²	56.9	23%	0.234	32%	0.322	C	S	.	.			trans	-103.1	147.3	-176.9	-63.6	-90.6	-144.2	0	0	110.2	I229 Q247 S301 K302	I229-E232 HydrophobicContact CG2-CG 4.37Å; E232-Q247 CarbonylContact C-O 3.51Å; E232-Q247 VanDerWaalsContact C-O 3.24Å; E232-S301 WeakPolarHBondContact OE2-CA 3.17Å; E232-S301 WeakPolarHBondContact OE2-CB 3.36Å; E232-K302 HydrophobicContact CB-CD 4.48Å; E232-K302 HydrophobicContact CG-CD 4.13Å; E232-K302 WeakPolarHBondContact OE1-CD 3.37Å; E232-K302 WeakPolarHBondContact OE1-CE 3.43Å; E232-K302 WeakPolarHBondContact OE1-CG 3.35Å; E232-K302 IonicContact OE1-NZ 2.71Å; E232-K302 PolarHBondContact OE1-NZ 2.81Å; E232-K302 PolarHBondContact OE2-N 3.02Å
233	P	95.4	Very high	84.9	Confident	9 Å²	9	58 Å²	58	6%	0.058	33%	0.329	C	S	.	.			trans	-64	147.1	172.8	28.6	-34.7	0	0	0	110.8	L246 Q247 W260 S301 K302 A304	P233-L246 HydrophobicContact CB-CB 4.5Å; P233-L246 HydrophobicContact CB-CD2 4.01Å; P233-Q247 WeakPolarHBondContact CA-O 3.3Å; P233-Q247 VanDerWaalsContact N-O 3.13Å; P233-W260 HydrophobicContact CB-CH2 3.93Å; P233-W260 HydrophobicContact CB-CZ3 3.87Å; P233-W260 HydrophobicContact CG-CH2 4.44Å; P233-W260 HydrophobicContact CG-CZ3 4.22Å; P233-S301 WeakPolarHBondContact CG-OG 3.36Å; P233-K302 WeakPolarHBondContact CG-O 3.5Å; P233-A304 HydrophobicContact CB-CB 3.83Å; P233-A304 HydrophobicContact CG-CB 4.25Å
234	T	93.5	Very high	86.3	Confident	96 Å²	96	54.2 Å²	54.2	59%	0.589	30%	0.303	S	S	*	.			trans	-119.9	129.1	-174.6	-57.4	0	0	0	0	110.5	Q236 L246	T234-Q236 PolarHBondContact O-NE2 3.35Å; T234-Q236 VanDerWaalsContact O-NE2 3.1Å; T234-L246 WeakPolarHBondContact O-CD2 3.38Å
235	S	95.1	Very high	87.9	Confident	65 Å²	65	53.6 Å²	53.6	46%	0.455	30%	0.304	S	S	.	.			trans	-56.7	139.4	175.3	-54	0	0	0	0	111.9	E305	S235-E305 CarbonylContact C-O 3.48Å; S235-E305 WeakPolarHBondContact CA-O 3.47Å; S235-E305 WeakPolarHBondContact CB-O 3.48Å; S235-E305 PolarHBondContact OG-N 2.93Å
236	Q	91.9	Very high	89.1	Confident	50 Å²	50	50.4 Å²	50.4	23%	0.234	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	142.7	-175.6	-73.7	161	67.2	0	0	111.1	T234 L238 V245 E305 I306 I307	T234-Q236 PolarHBondContact O-NE2 3.35Å; T234-Q236 VanDerWaalsContact O-NE2 3.1Å; Q236-L238 HydrophobicContact CB-CD1 4.41Å; Q236-L238 HydrophobicContact CB-CD2 4.4Å; Q236-L238 HydrophobicContact CB-CG 4.15Å; Q236-V245 PolarHBondContact NE2-O 2.97Å; Q236-E305 PolarHBondContact N-O 2.97Å; Q236-I306 HydrophobicContact CB-CD1 3.96Å; Q236-I306 WeakPolarHBondContact O-CA 3.41Å; Q236-I307 PolarHBondContact O-N 3.07Å
237	K	91.4	Very high	89.6	Confident	172 Å²	172	48.7 Å²	48.7	75%	0.748	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105	121.8	166.8	-62	-165.9	174.3	-175	0	108	I307	K237-I307 WeakPolarHBondContact CA-O 3.38Å; K237-I307 HydrophobicContact CG-CB 4.27Å; K237-I307 HydrophobicContact CG-CD1 4.48Å
238	L	87.7	Confident	89.8	Confident	28 Å²	28	48.6 Å²	48.6	15%	0.147	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	146.5	-171.5	-63.1	175.2	0	0	0	111	Q236 L244 V280 I307 I308 G309	Q236-L238 HydrophobicContact CB-CD1 4.41Å; Q236-L238 HydrophobicContact CB-CD2 4.4Å; Q236-L238 HydrophobicContact CB-CG 4.15Å; L238-L244 HydrophobicContact CD1-CB 3.64Å; L238-L244 HydrophobicContact CD1-CD1 3.85Å; L238-L244 HydrophobicContact CD1-CG 4.35Å; L238-V280 HydrophobicContact CB-CG2 3.91Å; L238-V280 HydrophobicContact CD1-CG1 4.18Å; L238-V280 HydrophobicContact CD1-CG2 4.18Å; L238-I307 PolarHBondContact N-O 3.29Å; L238-I308 HydrophobicContact CB-CG1 4.45Å; L238-I308 WeakPolarHBondContact O-CA 3.42Å; L238-G309 PolarHBondContact O-N 2.7Å
239	M	83.8	Confident	89.9	Confident	84 Å²	84	46.5 Å²	46.5	41%	0.414	27%	0.265	S	S	.	.			trans	-83.5	148.6	169	-61.5	-64.6	-64.1	0	0	109.2	G241 S242	M239-G241 PolarHBondContact O-N 3.06Å; M239-S242 PolarHBondContact N-OG 2.96Å; M239-S242 WeakPolarHBondContact O-CB 3.33Å; M239-S242 PolarHBondContact O-N 3.11Å; M239-S242 PolarHBondContact O-OG 3.49Å
240	P	84.1	Confident	90	Very high	66 Å²	66	45.9 Å²	45.9	43%	0.429	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	135	169.3	-26.7	35	0	0	0	111.9	V280 I308	P240-V280 CarbonylContact C-O 3.57Å; P240-V280 VanDerWaalsContact CA-O 3.28Å; P240-V280 WeakPolarHBondContact CA-O 3.41Å; P240-I308 HydrophobicContact CG-CG2 3.98Å
241	G	74.1	Confident	90.1	Very high	47 Å²	47	46.3 Å²	46.3	49%	0.485	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	-1.1	-172.2	0	0	0	0	0	115.6	M239 V280	M239-G241 PolarHBondContact O-N 3.06Å; G241-V280 PolarHBondContact N-O 2.82Å
242	S	81.6	Confident	90.2	Very high	38 Å²	38	45 Å²	45	27%	0.266	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-79.6	157.6	174.4	-51.9	0	0	0	0	112	M239 P278 Y279 V280	M239-S242 PolarHBondContact N-OG 2.96Å; M239-S242 WeakPolarHBondContact O-CB 3.33Å; M239-S242 PolarHBondContact O-N 3.11Å; M239-S242 PolarHBondContact O-OG 3.49Å; S242-P278 CarbonylContact C-O 3.5Å; S242-Y279 WeakPolarHBondContact O-CA 3.38Å; S242-V280 WeakPolarHBondContact O-CG2 3.29Å; S242-V280 PolarHBondContact O-N 3.11Å
243	T	86.4	Confident	90.1	Very high	71 Å²	71	42.7 Å²	42.7	44%	0.436	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-81.6	122.6	169.2	-49.7	0	0	0	0	110.9	V245 M276 V277 P278	T243-V245 HydrophobicContact CG2-CG2 3.81Å; T243-M276 HydrophobicContact CG2-CG 3.89Å; T243-M276 HydrophobicContact CG2-SD 4.16Å; T243-V277 CarbonylContact C-O 3.55Å; T243-V277 VanDerWaalsContact CA-O 3.29Å; T243-V277 WeakPolarHBondContact CA-O 3.48Å; T243-P278 VanDerWaalsContact CA-O 3.27Å; T243-P278 WeakPolarHBondContact CA-O 3.25Å; T243-P278 PolarHBondContact N-O 3.28Å; T243-P278 PolarHBondContact OG1-O 2.92Å
244	L	90.7	Very high	89.9	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	131.7	162.8	169.8	66.2	0	0	0	109.3	L238 L246 Y275 M276 V277 V280 I306	L238-L244 HydrophobicContact CD1-CB 3.64Å; L238-L244 HydrophobicContact CD1-CD1 3.85Å; L238-L244 HydrophobicContact CD1-CG 4.35Å; L244-L246 HydrophobicContact CD1-CD2 4.33Å; L244-L246 HydrophobicContact CD1-CG 4Å; L244-L246 HydrophobicContact CG-CG 4.37Å; L244-Y275 HydrophobicContact CD2-CD1 4.45Å; L244-Y275 HydrophobicContact CD2-CE1 3.91Å; L244-M276 VanDerWaalsContact O-CA 3.29Å; L244-M276 WeakPolarHBondContact O-CA 3.33Å; L244-V277 HydrophobicContact CB-CB 4.22Å; L244-V277 HydrophobicContact CD2-CG2 4.35Å; L244-V277 PolarHBondContact N-O 2.91Å; L244-V277 PolarHBondContact O-N 2.86Å; L244-V280 HydrophobicContact CB-CG1 3.42Å; L244-V280 VanDerWaalsContact CB-CG1 3.42Å; L244-I306 HydrophobicContact CD1-CD1 3.45Å; L244-I306 VanDerWaalsContact CD1-CD1 3.45Å; L244-I306 HydrophobicContact CD1-CG1 3.97Å; L244-I306 HydrophobicContact CD1-CG2 4.29Å; L244-I306 HydrophobicContact CD2-CG1 4.18Å; L244-I306 HydrophobicContact CD2-CG2 4.24Å
245	V	93.8	Very high	89.9	Confident	63 Å²	63	39.6 Å²	39.6	38%	0.382	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	115.5	170.6	-175	0	0	0	0	108.9	Q236 T243 L274 M276	Q236-V245 PolarHBondContact NE2-O 2.97Å; T243-V245 HydrophobicContact CG2-CG2 3.81Å; V245-L274 HydrophobicContact CG1-CD2 3.96Å; V245-M276 HydrophobicContact CG2-CG 4.14Å; V245-M276 HydrophobicContact CG2-SD 4.41Å
246	L	94.3	Very high	89.9	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	132.9	170.3	-70.5	-179.8	0	0	0	109.8	P233 T234 L244 W260 L274 Y275 Y288 A304 I306	P233-L246 HydrophobicContact CB-CB 4.5Å; P233-L246 HydrophobicContact CB-CD2 4.01Å; T234-L246 WeakPolarHBondContact O-CD2 3.38Å; L244-L246 HydrophobicContact CD1-CD2 4.33Å; L244-L246 HydrophobicContact CD1-CG 4Å; L244-L246 HydrophobicContact CG-CG 4.37Å; L246-W260 HydrophobicContact CB-CH2 3.68Å; L246-W260 HydrophobicContact CB-CZ2 4.37Å; L246-W260 HydrophobicContact CB-CZ3 3.81Å; L246-W260 HydrophobicContact CD1-CZ3 4.15Å; L246-L274 WeakPolarHBondContact O-CA 3.38Å; L246-Y275 HydrophobicContact CB-CD1 4.25Å; L246-Y275 HydrophobicContact CD1-CD1 4.09Å; L246-Y275 HydrophobicContact CG-CD1 4.43Å; L246-Y275 PolarHBondContact N-O 3.36Å; L246-Y275 PolarHBondContact O-N 2.86Å; L246-Y288 HydrophobicContact CD1-CD1 3.84Å; L246-Y288 HydrophobicContact CD1-CD2 4.3Å; L246-Y288 HydrophobicContact CD1-CG 3.6Å; L246-A304 HydrophobicContact CD2-CB 4.1Å; L246-I306 HydrophobicContact CD1-CG1 4.48Å; L246-I306 HydrophobicContact CD2-CD1 4.14Å
247	Q	94	Very high	90	Very high	86 Å²	86	38.8 Å²	38.8	40%	0.402	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	129.2	-178.1	-172.7	171.5	27.6	0	0	110.4	V231 E232 P233 V249 K273 L274	V231-Q247 HydrophobicContact CG1-CB 4.36Å; V231-Q247 HydrophobicContact CG1-CG 3.97Å; E232-Q247 CarbonylContact C-O 3.51Å; E232-Q247 VanDerWaalsContact C-O 3.24Å; P233-Q247 WeakPolarHBondContact CA-O 3.3Å; P233-Q247 VanDerWaalsContact N-O 3.13Å; Q247-V249 HydrophobicContact CG-CG2 3.8Å; Q247-K273 WeakPolarHBondContact CA-O 3.47Å; Q247-L274 HydrophobicContact CB-CD2 3.66Å; Q247-L274 HydrophobicContact CG-CD2 3.69Å; Q247-L274 HydrophobicContact CG-CG 4.41Å
248	C	94.6	Very high	90.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.183	C	C	.	.			trans	-128	123.7	166.9	-178	0	0	0	0	107.5	V231 Y258 W260 K273 C290 V292	V231-C248 WeakPolarHBondContact O-CA 3.39Å; C248-Y258 HydrophobicContact CB-CD1 4.41Å; C248-Y258 WeakPolarHBondContact O-CE1 3.29Å; C248-W260 HydrophobicContact CB-CH2 3.7Å; C248-W260 HydrophobicContact CB-CZ2 3.57Å; C248-K273 PolarHBondContact N-O 3.39Å; C248-K273 CarbonylContact O-C 3.59Å; C248-K273 WeakPolarHBondContact O-CA 3.29Å; C248-K273 VanDerWaalsContact O-CB 3.31Å; C248-K273 WeakPolarHBondContact O-CB 3.47Å; C248-C290 HydrophobicContact CB-CB 3.66Å; C248-V292 VanDerWaalsContact SG-CG2 3.56Å
249	V	92.9	Very high	90.7	Very high	8 Å²	8	31.6 Å²	31.6	5%	0.048	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	127.9	179	-177.3	0	0	0	0	109	C209 C230 V231 Q247 K273	C209-V249 HydrophobicContact CB-CG1 3.83Å; C209-V249 WeakPolarHBondContact SG-CG1 3.25Å; C230-V249 PolarHBondContact N-O 2.94Å; V231-V249 HydrophobicContact CB-CB 3.82Å; V231-V249 HydrophobicContact CB-CG2 3.99Å; V231-V249 HydrophobicContact CG2-CB 3.89Å; V231-V249 HydrophobicContact CG2-CG2 4.1Å; V231-V249 PolarHBondContact N-O 3.19Å; V231-V249 PolarHBondContact O-N 2.73Å; Q247-V249 HydrophobicContact CG-CG2 3.8Å; V249-K273 HydrophobicContact CG1-CD 4.35Å; V249-K273 HydrophobicContact CG2-CB 4.49Å; V249-K273 HydrophobicContact CG2-CD 4.38Å
250	A	92.1	Very high	91.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	159.7	175.9	0	0	0	0	0	112.4	L227 Q228 I229 P256 Y258 V292	L227-A250 HydrophobicContact CD1-CB 4.28Å; Q228-A250 CarbonylContact O-C 3.58Å; Q228-A250 WeakPolarHBondContact O-CA 3.26Å; Q228-A250 VanDerWaalsContact O-CB 3.32Å; Q228-A250 WeakPolarHBondContact O-CB 3.16Å; I229-A250 HydrophobicContact CG1-CB 4.23Å; A250-P256 HydrophobicContact CB-CB 4.21Å; A250-P256 HydrophobicContact CB-CG 4.21Å; A250-Y258 HydrophobicContact CB-CE1 4.26Å; A250-Y258 PolarHBondContact N-OH 3.48Å; A250-Y258 PolarHBondContact O-OH 2.89Å; A250-V292 HydrophobicContact CB-CG1 3.65Å
251	V	92.4	Very high	91.9	Very high	9 Å²	9	26.2 Å²	26.2	6%	0.055	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	155.5	171.4	-64.4	0	0	0	0	110.2	A137 L139 L227 Q228	A137-V251 CarbonylContact O-C 3.48Å; A137-V251 WeakPolarHBondContact O-CA 3.19Å; A137-V251 WeakPolarHBondContact O-CB 3.41Å; L139-V251 HydrophobicContact CD2-CG1 3.64Å; L139-V251 HydrophobicContact CG-CG1 3.94Å; L227-V251 WeakPolarHBondContact CA-O 3.43Å; Q228-V251 HydrophobicContact CB-CG2 4.28Å; Q228-V251 PolarHBondContact N-O 3.26Å; Q228-V251 PolarHBondContact O-N 3.04Å
252	G	91.1	Very high	93	Very high	2 Å²	2	25.7 Å²	25.7	2%	0.021	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	165	165.4	179	0	0	0	0	0	114.5	K136 A137 P254	K136-G252 WeakPolarHBondContact CA-O 2.99Å; A137-G252 PolarHBondContact N-O 3.19Å; A137-G252 PolarHBondContact O-N 3.1Å; G252-P254 CarbonylContact C-O 3.45Å
253	S	90.4	Very high	93.5	Very high	2 Å²	2	28 Å²	28	1%	0.014	15%	0.146	C	C	.	.	S	Bend	trans	-135.5	110.8	173.5	-168.7	0	0	0	0	108.3	E134 K136 R296	E134-S253 WeakPolarHBondContact OE1-CB 3.34Å; E134-S253 PolarHBondContact OE1-OG 2.87Å; K136-S253 WeakPolarHBondContact CD-OG 3.49Å; K136-S253 WeakPolarHBondContact CE-OG 3.47Å; K136-S253 WeakPolarHBondContact CG-OG 2.99Å; S253-R296 PolarHBondContact O-NH1 2.94Å
254	P	92.3	Very high	93.7	Very high	19 Å²	19	29.5 Å²	29.5	12%	0.123	15%	0.148	C	C	.	.	S	Bend	cis	-66.9	168.2	6	-20.9	35	0	0	0	114	E134 S135 G252 N294 D295	E134-P254 HydrophobicContact CG-CG 4.44Å; E134-P254 VanDerWaalsContact OE1-N 3.16Å; S135-P254 CarbonylContact O-C 3.31Å; S135-P254 WeakPolarHBondContact O-CA 3.36Å; G252-P254 CarbonylContact C-O 3.45Å; P254-N294 HydrophobicContact CB-CB 4.45Å; P254-N294 PolarHBondContact O-ND2 3.26Å; P254-D295 HydrophobicContact CG-CB 4.38Å
255	I	93.1	Very high	93.7	Very high	21 Å²	21	35.4 Å²	35.4	11%	0.108	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-54.7	134.6	-179.1	-166.6	166.1	0	0	0	111.6	S135 A137 Q205 D207	S135-I255 PolarHBondContact O-N 3.07Å; A137-I255 HydrophobicContact CB-CG1 4.22Å; Q205-I255 HydrophobicContact CB-CD1 4.13Å; Q205-I255 HydrophobicContact CG-CD1 3.81Å; D207-I255 HydrophobicContact CB-CD1 3.91Å
256	P	94.4	Very high	93.7	Very high	9 Å²	9	35.8 Å²	35.8	6%	0.058	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-69.8	138.8	-179.9	-22.2	35.1	0	0	0	113.9	A137 L227 A250 Y258 V292	A137-P256 VanDerWaalsContact CB-CD 3.45Å; A137-P256 HydrophobicContact CB-CG 4.16Å; L227-P256 HydrophobicContact CD1-CB 3.68Å; L227-P256 HydrophobicContact CD1-CG 3.56Å; A250-P256 HydrophobicContact CB-CB 4.21Å; A250-P256 HydrophobicContact CB-CG 4.21Å; P256-Y258 HydrophobicContact CB-CE2 4.14Å; P256-Y258 WeakPolarHBondContact O-CE2 3.25Å; P256-V292 HydrophobicContact CB-CG1 3.77Å
257	H	95.2	Very high	93.4	Very high	90 Å²	90	37.3 Å²	37.3	42%	0.417	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	156.5	165.3	-60.4	-75.4	0	0	0	110.2	V292 Y293	H257-V292 CarbonylContact O-C 3.49Å; H257-V292 VanDerWaalsContact O-CA 3.29Å; H257-V292 WeakPolarHBondContact O-CA 3.44Å; H257-V292 VanDerWaalsContact O-CG1 3.3Å; H257-V292 WeakPolarHBondContact O-CG1 3.37Å; H257-Y293 HydrophobicContact CB-CD1 4.21Å; H257-Y293 HydrophobicContact CB-CD2 4.32Å; H257-Y293 HydrophobicContact CB-CE1 3.78Å; H257-Y293 HydrophobicContact CB-CE2 3.91Å; H257-Y293 HydrophobicContact CB-CG 4.46Å; H257-Y293 PolarHBondContact N-O 2.96Å; H257-Y293 PolarHBondContact O-N 3.06Å
258	Y	96.4	Very high	92.9	Very high	10 Å²	10	38.7 Å²	38.7	4%	0.039	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	152.3	-173.9	-56.5	-104.2	0	0	0	109.3	C248 A250 P256 T271 K273 H291 V292	C248-Y258 HydrophobicContact CB-CD1 4.41Å; C248-Y258 WeakPolarHBondContact O-CE1 3.29Å; A250-Y258 HydrophobicContact CB-CE1 4.26Å; A250-Y258 PolarHBondContact N-OH 3.48Å; A250-Y258 PolarHBondContact O-OH 2.89Å; P256-Y258 HydrophobicContact CB-CE2 4.14Å; P256-Y258 WeakPolarHBondContact O-CE2 3.25Å; Y258-T271 WeakPolarHBondContact O-CA 3.3Å; Y258-T271 WeakPolarHBondContact O-CB 3.25Å; Y258-T271 WeakPolarHBondContact O-CG2 3.4Å; Y258-K273 HydrophobicContact CD2-CG 4.3Å; Y258-K273 HydrophobicContact CE1-CG 3.99Å; Y258-K273 HydrophobicContact CE2-CG 3.73Å; Y258-K273 WeakPolarHBondContact OH-CE 3.46Å; Y258-H291 CarbonylContact C-O 3.57Å; Y258-H291 WeakPolarHBondContact CA-O 3.41Å; Y258-V292 HydrophobicContact CD1-CG1 4.21Å; Y258-V292 HydrophobicContact CD1-CG2 3.7Å; Y258-V292 HydrophobicContact CE1-CG1 4.05Å; Y258-V292 HydrophobicContact CE1-CG2 3.93Å
259	Q	96.9	Very high	92.1	Very high	39 Å²	39	46.6 Å²	46.6	18%	0.182	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	117.8	169.7	174.2	56.9	68.3	0	0	108.5	F261 L267 C290 H291	Q259-F261 HydrophobicContact CB-CE2 4.25Å; Q259-F261 HydrophobicContact CG-CD2 4.36Å; Q259-F261 HydrophobicContact CG-CE2 3.64Å; Q259-F261 HydrophobicContact CG-CZ 4.07Å; Q259-F261 WeakPolarHBondContact O-CD2 3.44Å; Q259-L267 PolarHBondContact NE2-O 3.35Å; Q259-C290 WeakPolarHBondContact O-CA 3.39Å; Q259-H291 HydrophobicContact CB-CB 4.46Å; Q259-H291 PolarHBondContact N-O 3.03Å; Q259-H291 PolarHBondContact O-N 3.21Å
260	W	97.6	Very high	91.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	150.6	177	-70.5	90.6	0	0	0	112.5	P233 L246 C248 L267 E270 K272 W289 C290	P233-W260 HydrophobicContact CB-CH2 3.93Å; P233-W260 HydrophobicContact CB-CZ3 3.87Å; P233-W260 HydrophobicContact CG-CH2 4.44Å; P233-W260 HydrophobicContact CG-CZ3 4.22Å; L246-W260 HydrophobicContact CB-CH2 3.68Å; L246-W260 HydrophobicContact CB-CZ2 4.37Å; L246-W260 HydrophobicContact CB-CZ3 3.81Å; L246-W260 HydrophobicContact CD1-CZ3 4.15Å; C248-W260 HydrophobicContact CB-CH2 3.7Å; C248-W260 HydrophobicContact CB-CZ2 3.57Å; W260-L267 HydrophobicContact CB-CB 4.35Å; W260-L267 HydrophobicContact CB-CD1 3.97Å; W260-L267 PolarHBondContact O-N 3.03Å; W260-E270 HydrophobicContact CB-CB 4.01Å; W260-E270 HydrophobicContact CG-CB 4.43Å; W260-E270 PolarHBondContact N-O 2.9Å; W260-K272 PolarHBondContact NE1-O 2.8Å; W260-W289 CarbonylContact C-O 3.52Å; W260-W289 WeakPolarHBondContact CA-O 3.27Å; W260-C290 HydrophobicContact CD2-CB 3.88Å; W260-C290 HydrophobicContact CE3-CB 3.78Å; W260-C290 HydrophobicContact CH2-CB 4.03Å; W260-C290 HydrophobicContact CZ2-CB 4.13Å; W260-C290 HydrophobicContact CZ3-CB 3.85Å
261	F	96.7	Very high	91.9	Very high	36 Å²	36	52.6 Å²	52.6	16%	0.158	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	148.5	177.2	-71.2	-101.2	0	0	0	109.9	Q259 L265 P266 Y288 W289 H291	Q259-F261 HydrophobicContact CB-CE2 4.25Å; Q259-F261 HydrophobicContact CG-CD2 4.36Å; Q259-F261 HydrophobicContact CG-CE2 3.64Å; Q259-F261 HydrophobicContact CG-CZ 4.07Å; Q259-F261 WeakPolarHBondContact O-CD2 3.44Å; F261-L265 CarbonylContact C-O 3.49Å; F261-L265 VanDerWaalsContact CA-O 3.23Å; F261-L265 WeakPolarHBondContact CA-O 3.45Å; F261-P266 HydrophobicContact CD1-CB 4.06Å; F261-P266 HydrophobicContact CE1-CB 3.73Å; F261-P266 HydrophobicContact CE1-CG 4.33Å; F261-P266 HydrophobicContact CZ-CB 4.15Å; F261-Y288 VanDerWaalsContact O-CA 3.27Å; F261-Y288 WeakPolarHBondContact O-CA 3.45Å; F261-W289 HydrophobicContact CB-CD2 3.85Å; F261-W289 VanDerWaalsContact CB-CE2 3.49Å; F261-W289 HydrophobicContact CB-CE3 4.5Å; F261-W289 HydrophobicContact CB-CG 4.15Å; F261-W289 HydrophobicContact CB-CH2 4.47Å; F261-W289 HydrophobicContact CB-CZ2 3.84Å; F261-W289 HydrophobicContact CD1-CH2 4.08Å; F261-W289 AromaticContact CD1-CZ2 3.72Å; F261-W289 HydrophobicContact CD1-CZ2 3.72Å; F261-W289 HydrophobicContact CD2-CD2 4.21Å; F261-W289 HydrophobicContact CD2-CE3 4.01Å; F261-W289 AromaticContact CD2-CH2 3.67Å; F261-W289 HydrophobicContact CD2-CH2 3.67Å; F261-W289 AromaticContact CD2-CZ2 3.89Å; F261-W289 HydrophobicContact CD2-CZ2 3.89Å; F261-W289 AromaticContact CD2-CZ3 3.75Å; F261-W289 HydrophobicContact CD2-CZ3 3.75Å; F261-W289 HydrophobicContact CE1-CH2 4.21Å; F261-W289 HydrophobicContact CE1-CZ2 4.24Å; F261-W289 AromaticContact CE2-CH2 3.84Å; F261-W289 HydrophobicContact CE2-CH2 3.84Å; F261-W289 HydrophobicContact CE2-CZ2 4.4Å; F261-W289 HydrophobicContact CE2-CZ3 4.01Å; F261-W289 HydrophobicContact CG-CD2 4.17Å; F261-W289 AromaticContact CG-CE2 3.73Å; F261-W289 HydrophobicContact CG-CE3 4.42Å; F261-W289 AromaticContact CG-CH2 3.82Å; F261-W289 HydrophobicContact CG-CH2 3.82Å; F261-W289 AromaticContact CG-CZ2 3.54Å; F261-W289 HydrophobicContact CG-CZ2 3.54Å; F261-W289 HydrophobicContact CG-CZ3 4.26Å; F261-W289 HydrophobicContact CZ-CH2 4.11Å; F261-W289 PolarHBondContact N-O 2.85Å; F261-W289 PolarHBondContact O-N 2.87Å; F261-H291 HydrophobicContact CD2-CB 4.29Å; F261-H291 HydrophobicContact CE2-CB 3.66Å
262	K	95.9	Very high	91.8	Very high	37 Å²	37	59.1 Å²	59.1	16%	0.161	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	123.8	172.3	179.6	-170.2	-175.9	-176.1	0	108.3	E264 L265 L267 E283 T287 Y288	K262-E264 VanDerWaalsContact C-N 3.26Å; K262-E264 PolarHBondContact O-N 2.92Å; K262-L265 PolarHBondContact N-O 2.86Å; K262-L265 PolarHBondContact O-N 2.96Å; K262-L267 HydrophobicContact CB-CD1 4.2Å; K262-L267 HydrophobicContact CB-CD2 3.76Å; K262-L267 HydrophobicContact CB-CG 4.05Å; K262-L267 HydrophobicContact CD-CD2 4.27Å; K262-E283 PolarHBondContact NZ-O 2.89Å; K262-T287 CarbonylContact C-O 3.56Å; K262-T287 WeakPolarHBondContact CA-O 3.35Å; K262-Y288 HydrophobicContact CB-CD1 4.04Å; K262-Y288 HydrophobicContact CB-CE1 3.87Å; K262-Y288 HydrophobicContact CD-CE1 3.96Å; K262-Y288 HydrophobicContact CD-CE2 4.2Å; K262-Y288 WeakPolarHBondContact CD-OH 3.31Å; K262-Y288 VanDerWaalsContact CE-OH 3.27Å; K262-Y288 WeakPolarHBondContact CE-OH 3.2Å; K262-Y288 HydrophobicContact CG-CD1 4.31Å; K262-Y288 HydrophobicContact CG-CD2 4.35Å; K262-Y288 HydrophobicContact CG-CE1 3.88Å; K262-Y288 HydrophobicContact CG-CE2 3.92Å
263	N	92.2	Very high	91.8	Very high	85 Å²	85	61.1 Å²	61.1	46%	0.455	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	46.8	-178.6	-55.6	-25	0	0	0	112	L265 G286 T287	N263-L265 PolarHBondContact O-N 2.9Å; N263-L265 VanDerWaalsContact O-N 3.1Å; N263-G286 WeakPolarHBondContact OD1-CA 3.12Å; N263-T287 PolarHBondContact N-O 2.95Å; N263-T287 PolarHBondContact OD1-N 3.44Å
264	E	91.3	Very high	91.9	Very high	103 Å²	103	65.1 Å²	65.1	48%	0.481	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	0.1	-174.9	-42.9	-53.8	90.3	0	0	116.9	K262 W289 K303	K262-E264 VanDerWaalsContact C-N 3.26Å; K262-E264 PolarHBondContact O-N 2.92Å; E264-W289 PolarHBondContact OE1-NE1 3.22Å; E264-K303 IonicContact OE1-NZ 3.2Å; E264-K303 PolarHBondContact OE1-NZ 3.03Å; E264-K303 IonicContact OE2-NZ 3.98Å; E264-K303 PolarHBondContact OE2-NZ 3.11Å
265	L	90.6	Very high	92	Very high	124 Å²	124	65 Å²	65	65%	0.649	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	137.3	173.9	-64.6	173.3	0	0	0	111	F261 K262 N263	F261-L265 CarbonylContact C-O 3.49Å; F261-L265 VanDerWaalsContact CA-O 3.23Å; F261-L265 WeakPolarHBondContact CA-O 3.45Å; K262-L265 PolarHBondContact N-O 2.86Å; K262-L265 PolarHBondContact O-N 2.96Å; N263-L265 PolarHBondContact O-N 2.9Å; N263-L265 VanDerWaalsContact O-N 3.1Å
266	P	92.6	Very high	91.9	Very high	71 Å²	71	69.3 Å²	69.3	46%	0.461	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	133.9	177.4	28.3	-33.7	0	0	0	110.9	F261 T268	F261-P266 HydrophobicContact CD1-CB 4.06Å; F261-P266 HydrophobicContact CE1-CB 3.73Å; F261-P266 HydrophobicContact CE1-CG 4.33Å; F261-P266 HydrophobicContact CZ-CB 4.15Å; P266-T268 PolarHBondContact O-N 2.87Å
267	L	89.9	Confident	91.7	Very high	33 Å²	33	69.5 Å²	69.5	17%	0.173	35%	0.35	C	S	.	.			trans	-79.8	112.5	170.7	-64.9	176.4	0	0	0	108.8	Q259 W260 K262 H269 E270 Y275 Y288	Q259-L267 PolarHBondContact NE2-O 3.35Å; W260-L267 HydrophobicContact CB-CB 4.35Å; W260-L267 HydrophobicContact CB-CD1 3.97Å; W260-L267 PolarHBondContact O-N 3.03Å; K262-L267 HydrophobicContact CB-CD1 4.2Å; K262-L267 HydrophobicContact CB-CD2 3.76Å; K262-L267 HydrophobicContact CB-CG 4.05Å; K262-L267 HydrophobicContact CD-CD2 4.27Å; L267-H269 PolarHBondContact O-N 3Å; L267-E270 HydrophobicContact CB-CB 3.84Å; L267-E270 HydrophobicContact CB-CG 3.88Å; L267-E270 PolarHBondContact O-N 2.9Å; L267-Y275 HydrophobicContact CD1-CD2 4.19Å; L267-Y275 HydrophobicContact CD1-CE1 4.31Å; L267-Y275 HydrophobicContact CD1-CE2 3.72Å; L267-Y288 HydrophobicContact CD1-CD1 4.01Å; L267-Y288 HydrophobicContact CD1-CE1 3.79Å
268	T	82.7	Confident	90.7	Very high	114 Å²	114	68.1 Å²	68.1	70%	0.699	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	130.9	-173.5	45.6	0	0	0	0	111.4	P266 E270	P266-T268 PolarHBondContact O-N 2.87Å; T268-E270 PolarHBondContact O-N 3.03Å; T268-E270 VanDerWaalsContact O-N 3.13Å
269	H	78.4	Confident	89.9	Confident	167 Å²	167	76.3 Å²	76.3	77%	0.773	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	2.4	-178.4	-44.1	-78.2	0	0	0	116.6	L267 T271	L267-H269 PolarHBondContact O-N 3Å; H269-T271 VanDerWaalsContact C-N 3.33Å; H269-T271 PolarHBondContact O-N 3.06Å
270	E	88.3	Confident	89.2	Confident	61 Å²	61	74.6 Å²	74.6	29%	0.285	37%	0.373	S	S	.	.			trans	-81.9	78.8	174.3	-68.1	-59.3	157.7	0	0	111.2	W260 L267 T268 Y275	W260-E270 HydrophobicContact CB-CB 4.01Å; W260-E270 HydrophobicContact CG-CB 4.43Å; W260-E270 PolarHBondContact N-O 2.9Å; L267-E270 HydrophobicContact CB-CB 3.84Å; L267-E270 HydrophobicContact CB-CG 3.88Å; L267-E270 PolarHBondContact O-N 2.9Å; T268-E270 PolarHBondContact O-N 3.03Å; T268-E270 VanDerWaalsContact O-N 3.13Å; E270-Y275 HydrophobicContact CB-CD2 4.29Å; E270-Y275 HydrophobicContact CG-CD2 3.75Å; E270-Y275 HydrophobicContact CG-CE2 3.89Å
271	T	91.1	Very high	88.5	Confident	72 Å²	72	77.9 Å²	77.9	44%	0.442	39%	0.391	S	S	.	.			trans	-114.6	17.9	-174.6	60.1	0	0	0	0	114	Y258 H269	Y258-T271 WeakPolarHBondContact O-CA 3.3Å; Y258-T271 WeakPolarHBondContact O-CB 3.25Å; Y258-T271 WeakPolarHBondContact O-CG2 3.4Å; H269-T271 VanDerWaalsContact C-N 3.33Å; H269-T271 PolarHBondContact O-N 3.06Å
272	K	91.9	Very high	87.7	Confident	147 Å²	147	82.2 Å²	82.2	64%	0.639	42%	0.415	S	S	*	.	S	Bend	trans	-99.9	157.5	-178.5	-65.8	174.8	-175.4	166.1	0	111.8	W260 L274	W260-K272 PolarHBondContact NE1-O 2.8Å; K272-L274 PolarHBondContact O-N 2.92Å; K272-L274 VanDerWaalsContact O-N 3.12Å
273	K	91.3	Very high	87.1	Confident	44 Å²	44	86.7 Å²	86.7	19%	0.191	44%	0.436	C	S	.	.	S	Bend	trans	-57	-22.4	170.4	-66.9	-179.1	-177.9	-179.8	0	114.6	D207 C209 Q247 C248 V249 Y258	D207-K273 IonicContact OD1-NZ 3.91Å; D207-K273 PolarHBondContact OD1-NZ 3.37Å; D207-K273 WeakPolarHBondContact OD2-CE 3.07Å; D207-K273 IonicContact OD2-NZ 3.6Å; D207-K273 PolarHBondContact OD2-NZ 3.31Å; C209-K273 PolarHBondContact SG-NZ 3.36Å; Q247-K273 WeakPolarHBondContact CA-O 3.47Å; C248-K273 PolarHBondContact N-O 3.39Å; C248-K273 CarbonylContact O-C 3.59Å; C248-K273 WeakPolarHBondContact O-CA 3.29Å; C248-K273 VanDerWaalsContact O-CB 3.31Å; C248-K273 WeakPolarHBondContact O-CB 3.47Å; V249-K273 HydrophobicContact CG1-CD 4.35Å; V249-K273 HydrophobicContact CG2-CB 4.49Å; V249-K273 HydrophobicContact CG2-CD 4.38Å; Y258-K273 HydrophobicContact CD2-CG 4.3Å; Y258-K273 HydrophobicContact CE1-CG 3.99Å; Y258-K273 HydrophobicContact CE2-CG 3.73Å; Y258-K273 WeakPolarHBondContact OH-CE 3.46Å
274	L	91.9	Very high	87	Confident	86 Å²	86	84 Å²	84	45%	0.45	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	118.9	-178.9	-75.3	163.2	0	0	0	108.4	V245 L246 Q247 K272	V245-L274 HydrophobicContact CG1-CD2 3.96Å; L246-L274 WeakPolarHBondContact O-CA 3.38Å; Q247-L274 HydrophobicContact CB-CD2 3.66Å; Q247-L274 HydrophobicContact CG-CD2 3.69Å; Q247-L274 HydrophobicContact CG-CG 4.41Å; K272-L274 PolarHBondContact O-N 2.92Å; K272-L274 VanDerWaalsContact O-N 3.12Å
275	Y	93.6	Very high	87	Confident	16 Å²	16	83.3 Å²	83.3	6%	0.063	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	127.8	164.7	170.8	-107	0	0	0	107.9	L244 L246 L267 E270 V277 Y288	L244-Y275 HydrophobicContact CD2-CD1 4.45Å; L244-Y275 HydrophobicContact CD2-CE1 3.91Å; L246-Y275 HydrophobicContact CB-CD1 4.25Å; L246-Y275 HydrophobicContact CD1-CD1 4.09Å; L246-Y275 HydrophobicContact CG-CD1 4.43Å; L246-Y275 PolarHBondContact N-O 3.36Å; L246-Y275 PolarHBondContact O-N 2.86Å; L267-Y275 HydrophobicContact CD1-CD2 4.19Å; L267-Y275 HydrophobicContact CD1-CE1 4.31Å; L267-Y275 HydrophobicContact CD1-CE2 3.72Å; E270-Y275 HydrophobicContact CB-CD2 4.29Å; E270-Y275 HydrophobicContact CG-CD2 3.75Å; E270-Y275 HydrophobicContact CG-CE2 3.89Å; Y275-V277 HydrophobicContact CE1-CG2 3.82Å; Y275-V277 HydrophobicContact CE2-CG2 4.26Å; Y275-V277 VanDerWaalsContact OH-CG2 3.3Å; Y275-V277 WeakPolarHBondContact OH-CG2 3.35Å; Y275-Y288 HydrophobicContact CD1-CD1 4.24Å; Y275-Y288 HydrophobicContact CD1-CE1 4.14Å; Y275-Y288 AromaticContact CE1-CD1 3.82Å; Y275-Y288 HydrophobicContact CE1-CD1 3.82Å; Y275-Y288 AromaticContact CE1-CE1 3.28Å; Y275-Y288 HydrophobicContact CE1-CE1 3.28Å; Y275-Y288 AromaticContact CZ-CE1 3.71Å
276	M	91.4	Very high	87	Confident	111 Å²	111	78 Å²	78	55%	0.547	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	129.8	-174.8	-179.9	177.5	70.6	0	0	111.2	T243 L244 V245	T243-M276 HydrophobicContact CG2-CG 3.89Å; T243-M276 HydrophobicContact CG2-SD 4.16Å; L244-M276 VanDerWaalsContact O-CA 3.29Å; L244-M276 WeakPolarHBondContact O-CA 3.33Å; V245-M276 HydrophobicContact CG2-CG 4.14Å; V245-M276 HydrophobicContact CG2-SD 4.41Å
277	V	89.3	Confident	87.2	Confident	14 Å²	14	76.8 Å²	76.8	9%	0.085	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	108.9	172	-178.1	0	0	0	0	107.3	T243 L244 Y275 Y279 V280 H284	T243-V277 CarbonylContact C-O 3.55Å; T243-V277 VanDerWaalsContact CA-O 3.29Å; T243-V277 WeakPolarHBondContact CA-O 3.48Å; L244-V277 HydrophobicContact CB-CB 4.22Å; L244-V277 HydrophobicContact CD2-CG2 4.35Å; L244-V277 PolarHBondContact N-O 2.91Å; L244-V277 PolarHBondContact O-N 2.86Å; Y275-V277 HydrophobicContact CE1-CG2 3.82Å; Y275-V277 HydrophobicContact CE2-CG2 4.26Å; Y275-V277 VanDerWaalsContact OH-CG2 3.3Å; Y275-V277 WeakPolarHBondContact OH-CG2 3.35Å; V277-Y279 VanDerWaalsContact C-N 3.29Å; V277-Y279 PolarHBondContact O-N 2.91Å; V277-V280 HydrophobicContact CB-CG1 4.02Å; V277-V280 HydrophobicContact CG1-CG1 3.95Å; V277-H284 WeakPolarHBondContact CG1-NE2 3.32Å
278	P	74	Confident	87.6	Confident	61 Å²	61	75.2 Å²	75.2	40%	0.396	38%	0.376	S	S	.	.	S	Bend	trans	-61.5	-33.8	-174.1	-28.1	36.9	0	0	0	114.8	S242 T243	S242-P278 CarbonylContact C-O 3.5Å; T243-P278 VanDerWaalsContact CA-O 3.27Å; T243-P278 WeakPolarHBondContact CA-O 3.25Å; T243-P278 PolarHBondContact N-O 3.28Å; T243-P278 PolarHBondContact OG1-O 2.92Å
279	Y	79.9	Confident	88.3	Confident	182 Å²	182	71.1 Å²	71.1	71%	0.714	35%	0.348	S	S	*	.	S	Bend	trans	-136	101.1	-179.5	-53.1	-70.5	0	0	0	108.6	S242 V277	S242-Y279 WeakPolarHBondContact O-CA 3.38Å; V277-Y279 VanDerWaalsContact C-N 3.29Å; V277-Y279 PolarHBondContact O-N 2.91Å
280	V	82.9	Confident	89.2	Confident	2 Å²	2	63.2 Å²	63.2	1%	0.012	31%	0.311	C	S	.	.			trans	-80.7	152.9	176.8	-58.5	0	0	0	0	112.3	L238 P240 G241 S242 L244 V277 H284 I308	L238-V280 HydrophobicContact CB-CG2 3.91Å; L238-V280 HydrophobicContact CD1-CG1 4.18Å; L238-V280 HydrophobicContact CD1-CG2 4.18Å; P240-V280 CarbonylContact C-O 3.57Å; P240-V280 VanDerWaalsContact CA-O 3.28Å; P240-V280 WeakPolarHBondContact CA-O 3.41Å; G241-V280 PolarHBondContact N-O 2.82Å; S242-V280 WeakPolarHBondContact O-CG2 3.29Å; S242-V280 PolarHBondContact O-N 3.11Å; L244-V280 HydrophobicContact CB-CG1 3.42Å; L244-V280 VanDerWaalsContact CB-CG1 3.42Å; V277-V280 HydrophobicContact CB-CG1 4.02Å; V277-V280 HydrophobicContact CG1-CG1 3.95Å; V280-H284 HydrophobicContact CB-CB 4.02Å; V280-H284 HydrophobicContact CG1-CB 4.24Å; V280-I308 HydrophobicContact CB-CD1 3.66Å; V280-I308 HydrophobicContact CG1-CD1 4.38Å; V280-I308 HydrophobicContact CG2-CD1 3.74Å; V280-I308 HydrophobicContact CG2-CG1 4.23Å; V280-I308 HydrophobicContact CG2-CG2 4.43Å
281	D	82.1	Confident	89.6	Confident	70 Å²	70	62.7 Å²	62.7	37%	0.374	31%	0.308	S	S	.	.			trans	-136.7	-172.2	170.3	63.7	14.4	0	0	0	110.1	E283 H284 I308	D281-E283 PolarHBondContact O-N 3.43Å; D281-E283 VanDerWaalsContact O-N 3.16Å; D281-E283 WeakPolarHBondContact OD1-CB 3.25Å; D281-E283 VanDerWaalsContact OD1-CG 3.3Å; D281-E283 WeakPolarHBondContact OD1-CG 3.25Å; D281-E283 PolarHBondContact OD1-N 2.64Å; D281-H284 WeakPolarHBondContact O-CB 3.37Å; D281-H284 PolarHBondContact O-N 3.45Å; D281-H284 VanDerWaalsContact O-N 3.07Å; D281-H284 IonicContact OD1-CE1 2.83Å; D281-H284 IonicContact OD1-CG 2.7Å; D281-H284 PolarHBondContact OD1-N 3.4Å; D281-H284 IonicContact OD1-ND1 3.45Å; D281-H284 PolarHBondContact OD1-ND1 2.64Å; D281-I308 WeakPolarHBondContact O-CD1 3.49Å
282	L	80.6	Confident	89.9	Confident	126 Å²	126	59.2 Å²	59.2	66%	0.66	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-61.7	-23.6	-177.8	-65.8	174.3	0	0	0	113.7	H284 Q285 I308	L282-H284 VanDerWaalsContact C-N 3.26Å; L282-H284 PolarHBondContact O-N 3.3Å; L282-Q285 WeakPolarHBondContact O-CB 3.43Å; L282-Q285 PolarHBondContact O-N 3.29Å; L282-I308 HydrophobicContact CD2-CG2 4.32Å; L282-I308 WeakPolarHBondContact CD2-O 3.43Å
283	E	84.4	Confident	90	Very high	131 Å²	131	56.9 Å²	56.9	61%	0.612	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-68.9	-30.5	177.8	105.8	-173.6	149.7	0	0	110.8	K262 D281 Q285	K262-E283 PolarHBondContact NZ-O 2.89Å; D281-E283 PolarHBondContact O-N 3.43Å; D281-E283 VanDerWaalsContact O-N 3.16Å; D281-E283 WeakPolarHBondContact OD1-CB 3.25Å; D281-E283 VanDerWaalsContact OD1-CG 3.3Å; D281-E283 WeakPolarHBondContact OD1-CG 3.25Å; D281-E283 PolarHBondContact OD1-N 2.64Å; E283-Q285 PolarHBondContact O-N 3.3Å
284	H	88.2	Confident	90.1	Very high	28 Å²	28	55.3 Å²	55.3	13%	0.13	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-75.7	-1.7	-178.1	-69.5	87	0	0	0	114.1	V277 V280 D281 L282 Y288 I308	V277-H284 WeakPolarHBondContact CG1-NE2 3.32Å; V280-H284 HydrophobicContact CB-CB 4.02Å; V280-H284 HydrophobicContact CG1-CB 4.24Å; D281-H284 WeakPolarHBondContact O-CB 3.37Å; D281-H284 PolarHBondContact O-N 3.45Å; D281-H284 VanDerWaalsContact O-N 3.07Å; D281-H284 IonicContact OD1-CE1 2.83Å; D281-H284 IonicContact OD1-CG 2.7Å; D281-H284 PolarHBondContact OD1-N 3.4Å; D281-H284 IonicContact OD1-ND1 3.45Å; D281-H284 PolarHBondContact OD1-ND1 2.64Å; L282-H284 VanDerWaalsContact C-N 3.26Å; L282-H284 PolarHBondContact O-N 3.3Å; H284-Y288 WeakPolarHBondContact O-CE2 3.33Å; H284-Y288 PolarHBondContact O-OH 3.39Å; H284-I308 HydrophobicContact CB-CD1 3.59Å
285	Q	91.6	Very high	89.8	Confident	90 Å²	90	58.1 Å²	58.1	42%	0.421	28%	0.284	S	S	.	.			trans	-67.8	140.6	171.4	175.3	154.7	-67.6	0	0	110.8	L282 E283 I306 I308	L282-Q285 WeakPolarHBondContact O-CB 3.43Å; L282-Q285 PolarHBondContact O-N 3.29Å; E283-Q285 PolarHBondContact O-N 3.3Å; Q285-I306 WeakPolarHBondContact CA-O 3.39Å; Q285-I306 WeakPolarHBondContact CG-O 3.24Å; Q285-I308 PolarHBondContact OE1-O 3.29Å
286	G	91.8	Very high	89.6	Confident	11 Å²	11	64 Å²	64	11%	0.113	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.9	-177.5	177	0	0	0	0	0	114.7	N263 I306	N263-G286 WeakPolarHBondContact OD1-CA 3.12Å; G286-I306 PolarHBondContact N-O 3.27Å; G286-I306 PolarHBondContact O-N 3.24Å
287	T	96.8	Very high	89.6	Confident	46 Å²	46	61.5 Å²	61.5	28%	0.282	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	119.8	175.4	-59.4	0	0	0	0	109.9	K262 N263 K303 A304	K262-T287 CarbonylContact C-O 3.56Å; K262-T287 WeakPolarHBondContact CA-O 3.35Å; N263-T287 PolarHBondContact N-O 2.95Å; N263-T287 PolarHBondContact OD1-N 3.44Å; T287-K303 HydrophobicContact CG2-CB 3.68Å; T287-K303 HydrophobicContact CG2-CD 3.86Å; T287-K303 HydrophobicContact CG2-CG 4.15Å; T287-A304 WeakPolarHBondContact CA-O 3.16Å
288	Y	97.2	Very high	89.8	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	145.1	-177.1	-72.8	-104	0	0	0	111.6	L246 F261 K262 L267 Y275 H284 K303 A304 I306	L246-Y288 HydrophobicContact CD1-CD1 3.84Å; L246-Y288 HydrophobicContact CD1-CD2 4.3Å; L246-Y288 HydrophobicContact CD1-CG 3.6Å; F261-Y288 VanDerWaalsContact O-CA 3.27Å; F261-Y288 WeakPolarHBondContact O-CA 3.45Å; K262-Y288 HydrophobicContact CB-CD1 4.04Å; K262-Y288 HydrophobicContact CB-CE1 3.87Å; K262-Y288 HydrophobicContact CD-CE1 3.96Å; K262-Y288 HydrophobicContact CD-CE2 4.2Å; K262-Y288 WeakPolarHBondContact CD-OH 3.31Å; K262-Y288 VanDerWaalsContact CE-OH 3.27Å; K262-Y288 WeakPolarHBondContact CE-OH 3.2Å; K262-Y288 HydrophobicContact CG-CD1 4.31Å; K262-Y288 HydrophobicContact CG-CD2 4.35Å; K262-Y288 HydrophobicContact CG-CE1 3.88Å; K262-Y288 HydrophobicContact CG-CE2 3.92Å; L267-Y288 HydrophobicContact CD1-CD1 4.01Å; L267-Y288 HydrophobicContact CD1-CE1 3.79Å; Y275-Y288 HydrophobicContact CD1-CD1 4.24Å; Y275-Y288 HydrophobicContact CD1-CE1 4.14Å; Y275-Y288 AromaticContact CE1-CD1 3.82Å; Y275-Y288 HydrophobicContact CE1-CD1 3.82Å; Y275-Y288 AromaticContact CE1-CE1 3.28Å; Y275-Y288 HydrophobicContact CE1-CE1 3.28Å; Y275-Y288 AromaticContact CZ-CE1 3.71Å; H284-Y288 WeakPolarHBondContact O-CE2 3.33Å; H284-Y288 PolarHBondContact O-OH 3.39Å; Y288-K303 CarbonylContact O-C 3.52Å; Y288-K303 WeakPolarHBondContact O-CA 3.44Å; Y288-A304 PolarHBondContact N-O 3.03Å; Y288-A304 PolarHBondContact O-N 3.1Å; Y288-I306 HydrophobicContact CD2-CB 4.13Å; Y288-I306 HydrophobicContact CD2-CG1 3.52Å; Y288-I306 HydrophobicContact CE2-CB 4.03Å; Y288-I306 HydrophobicContact CE2-CG1 3.8Å; Y288-I306 HydrophobicContact CG-CG1 4.4Å
289	W	97.8	Very high	90.7	Very high	29 Å²	29	64.9 Å²	64.9	11%	0.11	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	168.5	171.1	57.2	-82.9	0	0	0	111.1	W260 F261 E264 H291 D300 K303	W260-W289 CarbonylContact C-O 3.52Å; W260-W289 WeakPolarHBondContact CA-O 3.27Å; F261-W289 HydrophobicContact CB-CD2 3.85Å; F261-W289 VanDerWaalsContact CB-CE2 3.49Å; F261-W289 HydrophobicContact CB-CE3 4.5Å; F261-W289 HydrophobicContact CB-CG 4.15Å; F261-W289 HydrophobicContact CB-CH2 4.47Å; F261-W289 HydrophobicContact CB-CZ2 3.84Å; F261-W289 HydrophobicContact CD1-CH2 4.08Å; F261-W289 AromaticContact CD1-CZ2 3.72Å; F261-W289 HydrophobicContact CD1-CZ2 3.72Å; F261-W289 HydrophobicContact CD2-CD2 4.21Å; F261-W289 HydrophobicContact CD2-CE3 4.01Å; F261-W289 AromaticContact CD2-CH2 3.67Å; F261-W289 HydrophobicContact CD2-CH2 3.67Å; F261-W289 AromaticContact CD2-CZ2 3.89Å; F261-W289 HydrophobicContact CD2-CZ2 3.89Å; F261-W289 AromaticContact CD2-CZ3 3.75Å; F261-W289 HydrophobicContact CD2-CZ3 3.75Å; F261-W289 HydrophobicContact CE1-CH2 4.21Å; F261-W289 HydrophobicContact CE1-CZ2 4.24Å; F261-W289 AromaticContact CE2-CH2 3.84Å; F261-W289 HydrophobicContact CE2-CH2 3.84Å; F261-W289 HydrophobicContact CE2-CZ2 4.4Å; F261-W289 HydrophobicContact CE2-CZ3 4.01Å; F261-W289 HydrophobicContact CG-CD2 4.17Å; F261-W289 AromaticContact CG-CE2 3.73Å; F261-W289 HydrophobicContact CG-CE3 4.42Å; F261-W289 AromaticContact CG-CH2 3.82Å; F261-W289 HydrophobicContact CG-CH2 3.82Å; F261-W289 AromaticContact CG-CZ2 3.54Å; F261-W289 HydrophobicContact CG-CZ2 3.54Å; F261-W289 HydrophobicContact CG-CZ3 4.26Å; F261-W289 HydrophobicContact CZ-CH2 4.11Å; F261-W289 PolarHBondContact N-O 2.85Å; F261-W289 PolarHBondContact O-N 2.87Å; E264-W289 PolarHBondContact OE1-NE1 3.22Å; W289-H291 HydrophobicContact CZ3-CB 3.93Å; W289-D300 HydrophobicContact CE3-CB 4.25Å; W289-D300 HydrophobicContact CZ3-CB 4.21Å; W289-D300 WeakPolarHBondContact CZ3-OD1 3.38Å; W289-K303 HydrophobicContact CB-CG 4.04Å; W289-K303 HydrophobicContact CG-CG 4.18Å
290	C	97.4	Very high	91.5	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	123.9	-177.7	-168	0	0	0	0	110	C248 Q259 W260 S301	C248-C290 HydrophobicContact CB-CB 3.66Å; Q259-C290 WeakPolarHBondContact O-CA 3.39Å; W260-C290 HydrophobicContact CD2-CB 3.88Å; W260-C290 HydrophobicContact CE3-CB 3.78Å; W260-C290 HydrophobicContact CH2-CB 4.03Å; W260-C290 HydrophobicContact CZ2-CB 4.13Å; W260-C290 HydrophobicContact CZ3-CB 3.85Å; C290-S301 PolarHBondContact N-OG 3.3Å; C290-S301 WeakPolarHBondContact O-CB 3.44Å; C290-S301 PolarHBondContact O-N 2.98Å
291	H	96.7	Very high	92.2	Very high	50 Å²	50	61.1 Å²	61.1	23%	0.231	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	128.5	165.4	-174.6	66.4	0	0	0	108.7	Y258 Q259 F261 W289 Y293 D300	Y258-H291 CarbonylContact C-O 3.57Å; Y258-H291 WeakPolarHBondContact CA-O 3.41Å; Q259-H291 HydrophobicContact CB-CB 4.46Å; Q259-H291 PolarHBondContact N-O 3.03Å; Q259-H291 PolarHBondContact O-N 3.21Å; F261-H291 HydrophobicContact CD2-CB 4.29Å; F261-H291 HydrophobicContact CE2-CB 3.66Å; W289-H291 HydrophobicContact CZ3-CB 3.93Å; H291-Y293 AromaticContact CD2-CD1 3.65Å; H291-D300 IonicContact CE1-OD1 2.72Å; H291-D300 IonicContact CG-OD1 2.81Å; H291-D300 IonicContact ND1-OD1 2.77Å; H291-D300 PolarHBondContact ND1-OD1 2.86Å
292	V	96.5	Very high	92.8	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.4	176.9	-170.6	0	0	0	0	109	L227 I229 C248 A250 P256 H257 Y258 S298 Q299	L227-V292 HydrophobicContact CD1-CG1 3.94Å; L227-V292 HydrophobicContact CD2-CG1 4.33Å; L227-V292 WeakPolarHBondContact CD2-O 3.4Å; I229-V292 HydrophobicContact CD1-CB 4.37Å; I229-V292 HydrophobicContact CD1-CG2 3.81Å; I229-V292 HydrophobicContact CG1-CB 4.35Å; I229-V292 HydrophobicContact CG1-CG2 3.96Å; C248-V292 VanDerWaalsContact SG-CG2 3.56Å; A250-V292 HydrophobicContact CB-CG1 3.65Å; P256-V292 HydrophobicContact CB-CG1 3.77Å; H257-V292 CarbonylContact O-C 3.49Å; H257-V292 VanDerWaalsContact O-CA 3.29Å; H257-V292 WeakPolarHBondContact O-CA 3.44Å; H257-V292 VanDerWaalsContact O-CG1 3.3Å; H257-V292 WeakPolarHBondContact O-CG1 3.37Å; Y258-V292 HydrophobicContact CD1-CG1 4.21Å; Y258-V292 HydrophobicContact CD1-CG2 3.7Å; Y258-V292 HydrophobicContact CE1-CG1 4.05Å; Y258-V292 HydrophobicContact CE1-CG2 3.93Å; V292-S298 CarbonylContact O-C 3.47Å; V292-S298 WeakPolarHBondContact O-CA 3.39Å; V292-Q299 PolarHBondContact N-O 2.83Å; V292-Q299 PolarHBondContact O-N 3.45Å
293	Y	94.8	Very high	93.5	Very high	97 Å²	97	63.3 Å²	63.3	38%	0.38	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	159	-176.4	67.1	-80.8	0	0	0	112.9	H257 H291 D297	H257-Y293 HydrophobicContact CB-CD1 4.21Å; H257-Y293 HydrophobicContact CB-CD2 4.32Å; H257-Y293 HydrophobicContact CB-CE1 3.78Å; H257-Y293 HydrophobicContact CB-CE2 3.91Å; H257-Y293 HydrophobicContact CB-CG 4.46Å; H257-Y293 PolarHBondContact N-O 2.96Å; H257-Y293 PolarHBondContact O-N 3.06Å; H291-Y293 AromaticContact CD2-CD1 3.65Å; Y293-D297 WeakPolarHBondContact CA-O 3.39Å
294	N	92.4	Very high	94.1	Very high	12 Å²	12	57 Å²	57	6%	0.064	28%	0.277	C	S	.	.			trans	-142.5	-176	162.4	67.6	17.7	0	0	0	109.2	P254 R296 D297	P254-N294 HydrophobicContact CB-CB 4.45Å; P254-N294 PolarHBondContact O-ND2 3.26Å; N294-R296 PolarHBondContact O-N 3.36Å; N294-R296 WeakPolarHBondContact OD1-CA 2.91Å; N294-R296 PolarHBondContact OD1-N 3.17Å; N294-D297 PolarHBondContact N-O 3.18Å; N294-D297 PolarHBondContact OD1-N 3.26Å; N294-D297 PolarHBondContact OD1-O 2.69Å
295	D	87.3	Confident	94.4	Very high	144 Å²	144	61 Å²	61	77%	0.77	30%	0.295	S	S	*	.	S	Bend	trans	-64.8	2.2	-178.5	-54.4	-23.8	0	0	0	115	P254	P254-D295 HydrophobicContact CG-CB 4.38Å
296	R	88.8	Confident	94.6	Very high	141 Å²	141	56.8 Å²	56.8	53%	0.532	28%	0.276	S	S	.	.	S	Bend	trans	-128	-30.6	-174.7	-62.1	-174.2	-178.5	141.5	6.2	114.7	E134 S253 N294	E134-R296 VanDerWaalsContact CD-NH2 3.3Å; E134-R296 IonicContact OE1-CZ 2.75Å; E134-R296 VanDerWaalsContact OE1-CZ 3.31Å; E134-R296 IonicContact OE1-NH1 3.71Å; E134-R296 PolarHBondContact OE1-NH1 2.95Å; E134-R296 IonicContact OE1-NH2 3.87Å; E134-R296 PolarHBondContact OE1-NH2 3.33Å; E134-R296 IonicContact OE2-CZ 2.71Å; E134-R296 IonicContact OE2-NH1 3.52Å; E134-R296 IonicContact OE2-NH2 3.91Å; E134-R296 PolarHBondContact OE2-NH2 2.92Å; S253-R296 PolarHBondContact O-NH1 2.94Å; N294-R296 PolarHBondContact O-N 3.36Å; N294-R296 WeakPolarHBondContact OD1-CA 2.91Å; N294-R296 PolarHBondContact OD1-N 3.17Å
297	D	90.3	Very high	94.5	Very high	58 Å²	58	59.1 Å²	59.1	31%	0.31	29%	0.285	S	S	.	.			trans	-154.6	158.6	-169.3	-158	-5.8	0	0	0	110.6	K226 L227 Y293 N294	K226-D297 WeakPolarHBondContact CE-OD2 3.35Å; K226-D297 WeakPolarHBondContact CG-OD2 3.41Å; L227-D297 HydrophobicContact CB-CB 3.77Å; L227-D297 HydrophobicContact CD2-CB 4.47Å; L227-D297 WeakPolarHBondContact CD2-O 3.45Å; Y293-D297 WeakPolarHBondContact CA-O 3.39Å; N294-D297 PolarHBondContact N-O 3.18Å; N294-D297 PolarHBondContact OD1-N 3.26Å; N294-D297 PolarHBondContact OD1-O 2.69Å
298	S	94.1	Very high	94	Very high	70 Å²	70	57.1 Å²	57.1	49%	0.49	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	144.6	177.3	65.1	0	0	0	0	112.2	V292	V292-S298 CarbonylContact O-C 3.47Å; V292-S298 WeakPolarHBondContact O-CA 3.39Å
299	Q	93.9	Very high	92.8	Very high	76 Å²	76	58.7 Å²	58.7	36%	0.355	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	133	-175	-177	165.6	69.6	0	0	111.1	L227 I229 V292	L227-Q299 HydrophobicContact CD2-CB 4.29Å; I229-Q299 HydrophobicContact CD1-CB 4.37Å; I229-Q299 HydrophobicContact CD1-CG 3.88Å; I229-Q299 HydrophobicContact CG1-CG 4.16Å; V292-Q299 PolarHBondContact N-O 2.83Å; V292-Q299 PolarHBondContact O-N 3.45Å
300	D	96.4	Very high	90.8	Very high	94 Å²	94	67.1 Å²	67.1	50%	0.503	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	140.6	172.4	-58.8	-33.2	0	0	0	110.7	W289 H291	W289-D300 HydrophobicContact CE3-CB 4.25Å; W289-D300 HydrophobicContact CZ3-CB 4.21Å; W289-D300 WeakPolarHBondContact CZ3-OD1 3.38Å; H291-D300 IonicContact CE1-OD1 2.72Å; H291-D300 IonicContact CG-OD1 2.81Å; H291-D300 IonicContact ND1-OD1 2.77Å; H291-D300 PolarHBondContact ND1-OD1 2.86Å
301	S	96.7	Very high	88.1	Confident	11 Å²	11	72.8 Å²	72.8	8%	0.077	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-72.1	167.1	169.7	83	0	0	0	0	111.6	E232 P233 C290	E232-S301 WeakPolarHBondContact OE2-CA 3.17Å; E232-S301 WeakPolarHBondContact OE2-CB 3.36Å; P233-S301 WeakPolarHBondContact CG-OG 3.36Å; C290-S301 PolarHBondContact N-OG 3.3Å; C290-S301 WeakPolarHBondContact O-CB 3.44Å; C290-S301 PolarHBondContact O-N 2.98Å
302	K	95.4	Very high	85.4	Confident	133 Å²	133	77.2 Å²	77.2	58%	0.578	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-59.7	155.8	162.8	-71.1	167.9	-168.4	160.5	0	111	E232 P233	E232-K302 HydrophobicContact CB-CD 4.48Å; E232-K302 HydrophobicContact CG-CD 4.13Å; E232-K302 WeakPolarHBondContact OE1-CD 3.37Å; E232-K302 WeakPolarHBondContact OE1-CE 3.43Å; E232-K302 WeakPolarHBondContact OE1-CG 3.35Å; E232-K302 IonicContact OE1-NZ 2.71Å; E232-K302 PolarHBondContact OE1-NZ 2.81Å; E232-K302 PolarHBondContact OE2-N 3.02Å; P233-K302 WeakPolarHBondContact CG-O 3.5Å
303	K	96.1	Very high	82.6	Confident	108 Å²	108	86.3 Å²	86.3	47%	0.47	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-84.7	129.5	173.5	-64.5	-167.1	176.5	-164.4	0	110.1	E264 T287 Y288 W289	E264-K303 IonicContact OE1-NZ 3.2Å; E264-K303 PolarHBondContact OE1-NZ 3.03Å; E264-K303 IonicContact OE2-NZ 3.98Å; E264-K303 PolarHBondContact OE2-NZ 3.11Å; T287-K303 HydrophobicContact CG2-CB 3.68Å; T287-K303 HydrophobicContact CG2-CD 3.86Å; T287-K303 HydrophobicContact CG2-CG 4.15Å; Y288-K303 CarbonylContact O-C 3.52Å; Y288-K303 WeakPolarHBondContact O-CA 3.44Å; W289-K303 HydrophobicContact CB-CG 4.04Å; W289-K303 HydrophobicContact CG-CG 4.18Å
304	A	95.9	Very high	79.7	Confident	0 Å²	0	85.6 Å²	85.6	0%	0	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	129.6	176.4	0	0	0	0	0	109.9	P233 L246 T287 Y288	P233-A304 HydrophobicContact CB-CB 3.83Å; P233-A304 HydrophobicContact CG-CB 4.25Å; L246-A304 HydrophobicContact CD2-CB 4.1Å; T287-A304 WeakPolarHBondContact CA-O 3.16Å; Y288-A304 PolarHBondContact N-O 3.03Å; Y288-A304 PolarHBondContact O-N 3.1Å
305	E	95.5	Very high	77.2	Confident	111 Å²	111	91.7 Å²	91.7	52%	0.519	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	122.6	-179	-170.3	178.1	-156.1	0	0	109.9	S235 Q236 I307	S235-E305 CarbonylContact C-O 3.48Å; S235-E305 WeakPolarHBondContact CA-O 3.47Å; S235-E305 WeakPolarHBondContact CB-O 3.48Å; S235-E305 PolarHBondContact OG-N 2.93Å; Q236-E305 PolarHBondContact N-O 2.97Å; E305-I307 HydrophobicContact CG-CD1 4.35Å; E305-I307 HydrophobicContact CG-CG1 4.1Å
306	I	95.8	Very high	75	Confident	1 Å²	1	93.1 Å²	93.1	1%	0.005	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	116.1	178.3	-56.1	-51.8	0	0	0	108.3	Q236 L244 L246 Q285 G286 Y288 I308	Q236-I306 HydrophobicContact CB-CD1 3.96Å; Q236-I306 WeakPolarHBondContact O-CA 3.41Å; L244-I306 HydrophobicContact CD1-CD1 3.45Å; L244-I306 VanDerWaalsContact CD1-CD1 3.45Å; L244-I306 HydrophobicContact CD1-CG1 3.97Å; L244-I306 HydrophobicContact CD1-CG2 4.29Å; L244-I306 HydrophobicContact CD2-CG1 4.18Å; L244-I306 HydrophobicContact CD2-CG2 4.24Å; L246-I306 HydrophobicContact CD1-CG1 4.48Å; L246-I306 HydrophobicContact CD2-CD1 4.14Å; Q285-I306 WeakPolarHBondContact CA-O 3.39Å; Q285-I306 WeakPolarHBondContact CG-O 3.24Å; G286-I306 PolarHBondContact N-O 3.27Å; G286-I306 PolarHBondContact O-N 3.24Å; Y288-I306 HydrophobicContact CD2-CB 4.13Å; Y288-I306 HydrophobicContact CD2-CG1 3.52Å; Y288-I306 HydrophobicContact CE2-CB 4.03Å; Y288-I306 HydrophobicContact CE2-CG1 3.8Å; Y288-I306 HydrophobicContact CG-CG1 4.4Å; I306-I308 HydrophobicContact CG2-CD1 4.1Å; I306-I308 HydrophobicContact CG2-CG1 4.11Å
307	I	89.4	Confident	72	Confident	60 Å²	60	92.9 Å²	92.9	31%	0.308	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	129.9	-179.1	-59.4	167.9	0	0	0	108.3	Q236 K237 L238 E305	Q236-I307 PolarHBondContact O-N 3.07Å; K237-I307 WeakPolarHBondContact CA-O 3.38Å; K237-I307 HydrophobicContact CG-CB 4.27Å; K237-I307 HydrophobicContact CG-CD1 4.48Å; L238-I307 PolarHBondContact N-O 3.29Å; E305-I307 HydrophobicContact CG-CD1 4.35Å; E305-I307 HydrophobicContact CG-CG1 4.1Å
308	I	85.5	Confident	69.4	Low	5 Å²	5	96.4 Å²	96.4	3%	0.026	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	117.1	-175.9	-58.3	174.3	0	0	0	108.6	L238 P240 V280 D281 L282 H284 Q285 I306	L238-I308 HydrophobicContact CB-CG1 4.45Å; L238-I308 WeakPolarHBondContact O-CA 3.42Å; P240-I308 HydrophobicContact CG-CG2 3.98Å; V280-I308 HydrophobicContact CB-CD1 3.66Å; V280-I308 HydrophobicContact CG1-CD1 4.38Å; V280-I308 HydrophobicContact CG2-CD1 3.74Å; V280-I308 HydrophobicContact CG2-CG1 4.23Å; V280-I308 HydrophobicContact CG2-CG2 4.43Å; D281-I308 WeakPolarHBondContact O-CD1 3.49Å; L282-I308 HydrophobicContact CD2-CG2 4.32Å; L282-I308 WeakPolarHBondContact CD2-O 3.43Å; H284-I308 HydrophobicContact CB-CD1 3.59Å; Q285-I308 PolarHBondContact OE1-O 3.29Å; I306-I308 HydrophobicContact CG2-CD1 4.1Å; I306-I308 HydrophobicContact CG2-CG1 4.11Å
309	G	72.2	Confident	67.2	Low	32 Å²	32	101.6 Å²	101.6	33%	0.33	54%	0.536	S	S	.	.			trans	-161.5	172.3	-172.5	0	0	0	0	0	112.7	L238	L238-G309 PolarHBondContact O-N 2.7Å
310	R	55.7	Low	64.4	Low	206 Å²	206	105.6 Å²	105.6	78%	0.777	56%	0.559	S	S	*	*			trans	-91.7	139.1	167.9	-69.3	-179.4	177.2	174.5	0	109.1	D312	R310-D312 VanDerWaalsContact C-N 3.28Å; R310-D312 PolarHBondContact O-N 3.05Å
311	T	41.1	Very low	61.5	Low	119 Å²	119	110.7 Å²	110.7	73%	0.73	58%	0.58	S	S	*	*			trans	-74.9	83.3	165	31.1	0	0	0	0	109.9	E313	T311-E313 VanDerWaalsContact C-N 3.27Å; T311-E313 PolarHBondContact O-N 3.15Å; T311-E313 VanDerWaalsContact O-N 3.15Å
312	D	39.2	Very low	58.9	Low	143 Å²	143	117.8 Å²	117.8	77%	0.765	62%	0.616	S	S	*	*			trans	-81.6	75.7	165.6	-69	-30	0	0	0	109.6	R310 A314	R310-D312 VanDerWaalsContact C-N 3.28Å; R310-D312 PolarHBondContact O-N 3.05Å; D312-A314 PolarHBondContact O-N 3.34Å
313	E	38.6	Very low	55.9	Low	191 Å²	191	118.3 Å²	118.3	89%	0.893	63%	0.625	S	S	*	*			trans	-82.2	84.4	154.7	-79.3	-164.6	162.4	0	0	109	T311	T311-E313 VanDerWaalsContact C-N 3.27Å; T311-E313 PolarHBondContact O-N 3.15Å; T311-E313 VanDerWaalsContact O-N 3.15Å
314	A	33.8	Very low	52.7	Low	83 Å²	83	120.9 Å²	120.9	69%	0.686	64%	0.644	S	S	*	*	S	Bend	trans	-179.3	112.2	142.9	0	0	0	0	0	113.8	D312	D312-A314 PolarHBondContact O-N 3.34Å
315	V	38.9	Very low	49.8	Very low	140 Å²	140	129.2 Å²	129.2	85%	0.848	69%	0.688	S	S	*	*			trans	69	120.4	140	-172.2	0	0	0	0	119.5
316	E	42.5	Very low	46.5	Very low	173 Å²	173	127.6 Å²	127.6	81%	0.808	70%	0.702	S	S	*	*			trans	-27.8	135.1	164.4	-58.3	166.5	142.7	0	0	117.7
317	C	25.3	Very low	43.7	Very low	136 Å²	136	136.6 Å²	136.6	92%	0.919	74%	0.743	S	S	*	*			trans	-133	131.9	137.1	-86.4	0	0	0	0	107.8
318	T	36.1	Very low	41.9	Very low	133 Å²	133	138.7 Å²	138.7	82%	0.816	76%	0.761	S	S	*	*			trans	-81.6	165.4	-172.2	47.1	0	0	0	0	113.8
319	E	48	Very low	39.2	Very low	179 Å²	179	146.1 Å²	146.1	84%	0.836	80%	0.8	S	S	*	*	S	Bend	trans	-43.9	135.1	166.8	-53.9	172.6	151.9	0	0	112.2
320	D	34.5	Very low	37.7	Very low	160 Å²	160	151.9 Å²	151.9	86%	0.856	82%	0.824	S	S	*	*			trans	174.5	-4.6	137.5	-97.3	-18.8	0	0	0	116.8
321	E	35.3	Very low	36.7	Very low	200 Å²	200	151.5 Å²	151.5	94%	0.935	83%	0.828	S	S	*	*			trans	-112.1	44.1	-179	-65.4	-163.9	159.6	0	0	115.6	N323	E321-N323 PolarHBondContact O-N 3.27Å
322	L	41.4	Very low	36.4	Very low	160 Å²	160	153.9 Å²	153.9	84%	0.838	83%	0.83	S	S	*	*			trans	-83.3	97.6	152.3	-104.5	140.9	0	0	0	108.8
323	N	32.9	Very low	36.6	Very low	144 Å²	144	156.9 Å²	156.9	77%	0.77	84%	0.84	S	S	*	*			trans	155.6	107.7	140	-81.5	-45.1	0	0	0	112.5	E321	E321-N323 PolarHBondContact O-N 3.27Å
324	N	28.9	Very low	36.4	Very low	162 Å²	162	153.6 Å²	153.6	87%	0.866	83%	0.833	S	S	*	*			trans	-163.1	108.9	134	-100.8	-40.2	0	0	0	113.1
325	L	34.8	Very low	36.8	Very low	175 Å²	175	155.5 Å²	155.5	92%	0.916	84%	0.836	S	S	*	*			trans	0.6	129.7	155	-67.6	154.6	0	0	0	119.5
326	G	26.8	Very low	37.8	Very low	78 Å²	78	157.2 Å²	157.2	80%	0.804	84%	0.841	S	S	*	*			trans	173.9	64.4	164.8	0	0	0	0	0	116.8
327	H	36.8	Very low	39.2	Very low	189 Å²	189	153.4 Å²	153.4	88%	0.875	82%	0.823	S	S	*	*			trans	-84.7	158.7	150.5	-93.7	56.2	0	0	0	108.7
328	P	51.5	Low	42.1	Very low	105 Å²	105	148.7 Å²	148.7	68%	0.682	79%	0.791	S	S	*	*			cis	-127.4	167.4	10.1	41	-27.3	0	0	0	114.5
329	D	29.4	Very low	44.8	Very low	160 Å²	160	145.8 Å²	145.8	86%	0.856	77%	0.77	S	S	*	*				-161.5	143.1	118.7	-118.2	-22.5	0	0	0	112.7
330	N	40.3	Very low	47	Very low	153 Å²	153	137.2 Å²	137.2	82%	0.818	73%	0.73	S	S	*	*			trans	-76.6	122.7	-179.3	-74.7	-38.8	0	0	0	111.3
331	K	33.5	Very low	49.7	Very low	199 Å²	199	132.7 Å²	132.7	87%	0.865	70%	0.702	S	S	*	*			trans	-140.6	93.9	145.1	-74.9	-157	174.2	-174.5	0	111.9
332	E	35.3	Very low	52.5	Low	168 Å²	168	123.2 Å²	123.2	79%	0.785	66%	0.658	S	S	*	*			trans	40.1	110.8	140.3	-65.6	172.5	156.5	0	0	119	T334	E332-T334 PolarHBondContact O-N 3.13Å; E332-T334 VanDerWaalsContact O-N 3.14Å
333	Q	43.1	Very low	55	Low	207 Å²	207	115.7 Å²	115.7	97%	0.967	62%	0.619	S	S	*	*			trans	-54.1	109.6	147	-82.8	171.3	-46.8	0	0	109.7
334	T	35.6	Very low	58	Low	122 Å²	122	108.9 Å²	108.9	75%	0.748	58%	0.582	S	S	*	*			trans	-97.3	123.5	166.7	50.8	0	0	0	0	110.2	E332	E332-T334 PolarHBondContact O-N 3.13Å; E332-T334 VanDerWaalsContact O-N 3.14Å
335	T	41.6	Very low	61.3	Low	123 Å²	123	101.2 Å²	101.2	76%	0.755	54%	0.541	S	S	*	.			trans	-61.7	134.3	176	45.2	0	0	0	0	112.2	Q337	T335-Q337 PolarHBondContact O-N 2.9Å
336	D	59.4	Low	64.3	Low	176 Å²	176	93 Å²	93	94%	0.941	50%	0.498	S	S	*	.			trans	-80.4	65	-176.9	-143.6	6.6	0	0	0	111.6
337	Q	73.4	Confident	67.7	Low	93 Å²	93	89.2 Å²	89.2	44%	0.435	46%	0.46	S	S	.	.			trans	-91.5	131.8	179	-174	166.6	3.9	0	0	110.4	T335 L339	T335-Q337 PolarHBondContact O-N 2.9Å; Q337-L339 PolarHBondContact O-N 3.4Å
338	P	85.1	Confident	70.7	Confident	37 Å²	37	80.2 Å²	80.2	24%	0.24	42%	0.418	C	S	.	.			trans	-58.3	137.1	176.1	-25.1	35.3	0	0	0	112.3	R558	P338-R558 HydrophobicContact CB-CG 4.36Å
339	L	92.5	Very high	72.9	Confident	71 Å²	71	75.2 Å²	75.2	37%	0.372	39%	0.386	S	S	.	.			trans	-117.6	149.5	179.2	-54.9	179.2	0	0	0	111.1	Q337 R558 P563 Q565	Q337-L339 PolarHBondContact O-N 3.4Å; L339-R558 PolarHBondContact O-NH1 3.04Å; L339-P563 HydrophobicContact CD2-CG 3.73Å; L339-Q565 HydrophobicContact CB-CB 4.16Å; L339-Q565 HydrophobicContact CD1-CB 4.07Å; L339-Q565 HydrophobicContact CD1-CG 3.84Å
340	A	94.2	Very high	76.2	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-100.2	141.3	167.8	0	0	0	0	0	110.6	D342 K343 Y407 P563 I564 Q565	A340-D342 VanDerWaalsContact C-N 3.28Å; A340-K343 HydrophobicContact CB-CD 4.31Å; A340-K343 HydrophobicContact CB-CG 3.83Å; A340-Y407 HydrophobicContact CB-CD1 3.69Å; A340-Y407 HydrophobicContact CB-CD2 3.92Å; A340-Y407 HydrophobicContact CB-CE1 3.74Å; A340-Y407 HydrophobicContact CB-CE2 3.98Å; A340-Y407 HydrophobicContact CB-CG 3.78Å; A340-P563 PolarHBondContact N-O 2.9Å; A340-P563 VanDerWaalsContact N-O 3.11Å; A340-I564 CarbonylContact O-C 3.59Å; A340-I564 WeakPolarHBondContact O-CA 3.41Å; A340-Q565 PolarHBondContact O-N 3.14Å
341	K	91.9	Very high	78.8	Confident	64 Å²	64	60.9 Å²	60.9	28%	0.278	31%	0.309	S	S	.	.	S	Bend	trans	-67.7	-34.2	169.4	-174.9	-179.8	-178.5	-175.1	0	111	D403 K404 G405 V406 E572	K341-D403 IonicContact NZ-OD1 3.52Å; K341-D403 IonicContact NZ-OD2 2.62Å; K341-D403 PolarHBondContact NZ-OD2 2.94Å; K341-K404 WeakPolarHBondContact CD-O 3.29Å; K341-G405 PolarHBondContact N-O 2.88Å; K341-V406 HydrophobicContact CB-CG2 4.28Å; K341-E572 IonicContact NZ-OE2 3.32Å; K341-E572 PolarHBondContact NZ-OE2 3.19Å
342	D	93.2	Very high	81.7	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.011	29%	0.286	C	S	.	.			trans	-165.1	162.9	179.2	-151.9	-15.6	0	0	0	108.3	A340 K379 V406 Y407 R576	A340-D342 VanDerWaalsContact C-N 3.28Å; D342-K379 WeakPolarHBondContact OD1-CE 3.47Å; D342-K379 IonicContact OD1-NZ 2.71Å; D342-K379 PolarHBondContact OD1-NZ 2.73Å; D342-K379 IonicContact OD2-NZ 3.48Å; D342-K379 PolarHBondContact OD2-NZ 2.81Å; D342-V406 HydrophobicContact CB-CB 4.35Å; D342-V406 HydrophobicContact CB-CG1 4.01Å; D342-V406 HydrophobicContact CB-CG2 3.73Å; D342-Y407 PolarHBondContact O-N 3.04Å; D342-R576 IonicContact OD2-NE 2.68Å; D342-R576 PolarHBondContact OD2-NE 3.27Å
343	K	95.6	Very high	84.7	Confident	2 Å²	2	47 Å²	47	1%	0.009	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	115.9	177.1	-65.9	-168.5	-69.2	-171	0	109.7	A340 L376 F378 K379 Y407 L560 D562 I564	A340-K343 HydrophobicContact CB-CD 4.31Å; A340-K343 HydrophobicContact CB-CG 3.83Å; K343-L376 WeakPolarHBondContact CE-O 3.36Å; K343-L376 PolarHBondContact NZ-O 3.35Å; K343-F378 HydrophobicContact CB-CD1 3.78Å; K343-F378 HydrophobicContact CB-CD2 4.05Å; K343-F378 HydrophobicContact CB-CE1 3.88Å; K343-F378 HydrophobicContact CB-CE2 4.14Å; K343-F378 HydrophobicContact CB-CG 3.87Å; K343-F378 HydrophobicContact CB-CZ 4.05Å; K343-F378 HydrophobicContact CD-CD2 4.3Å; K343-F378 HydrophobicContact CD-CE2 3.83Å; K343-F378 HydrophobicContact CD-CZ 4.08Å; K343-F378 HydrophobicContact CG-CE2 4.42Å; K343-F378 HydrophobicContact CG-CZ 4.31Å; K343-F378 WeakPolarHBondContact O-CA 3.27Å; K343-K379 PolarHBondContact O-N 3.17Å; K343-Y407 HydrophobicContact CD-CD2 4.48Å; K343-Y407 HydrophobicContact CG-CD2 4.47Å; K343-L560 PolarHBondContact NZ-O 3.14Å; K343-L560 VanDerWaalsContact NZ-O 3.17Å; K343-D562 WeakPolarHBondContact CE-O 3.5Å; K343-D562 PolarHBondContact NZ-O 3.04Å; K343-I564 HydrophobicContact CB-CD1 4.4Å; K343-I564 HydrophobicContact CD-CG1 4.37Å; K343-I564 HydrophobicContact CG-CD1 4.32Å; K343-I564 HydrophobicContact CG-CG1 4.14Å
344	V	95.6	Very high	87.2	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.006	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	134.5	-172.3	-174.3	0	0	0	0	110.3	K379 F398 L401 L402 V406 Y407 G408 L409	V344-K379 HydrophobicContact CG2-CB 4.41Å; V344-K379 HydrophobicContact CG2-CD 4.45Å; V344-F398 HydrophobicContact CG1-CD2 3.93Å; V344-F398 HydrophobicContact CG1-CE2 4.01Å; V344-L401 HydrophobicContact CG1-CB 3.91Å; V344-L401 HydrophobicContact CG1-CD1 3.97Å; V344-L401 HydrophobicContact CG2-CB 4.36Å; V344-L402 HydrophobicContact CB-CD2 4.28Å; V344-V406 HydrophobicContact CB-CG1 4.41Å; V344-V406 HydrophobicContact CG2-CG1 3.89Å; V344-Y407 PolarHBondContact N-O 3.19Å; V344-G408 WeakPolarHBondContact O-CA 3.43Å; V344-L409 PolarHBondContact O-N 2.95Å
345	A	98	Very high	90.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	139.3	178.9	0	0	0	0	0	112.9	L347 L373 F378 K379 V380 V381 L409	A345-L347 HydrophobicContact CB-CD1 3.87Å; A345-L373 HydrophobicContact CB-CD1 3.95Å; A345-F378 HydrophobicContact CB-CD1 3.91Å; A345-K379 PolarHBondContact N-O 2.71Å; A345-V380 HydrophobicContact CB-CG1 4.46Å; A345-V380 HydrophobicContact CB-CG2 4.31Å; A345-V380 CarbonylContact O-C 3.59Å; A345-V380 WeakPolarHBondContact O-CA 3.2Å; A345-V381 PolarHBondContact O-N 2.66Å; A345-L409 CarbonylContact C-O 3.59Å; A345-L409 WeakPolarHBondContact CA-O 3.25Å; A345-L409 HydrophobicContact CB-CB 4.12Å; A345-L409 HydrophobicContact CB-CD2 4.17Å
346	L	98.1	Very high	92.6	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	122.9	167.2	174.4	61.3	0	0	0	109	I348 V381 L383 A394 V395 F398 L409 L410 Y411	L346-I348 HydrophobicContact CD1-CG1 4.2Å; L346-I348 HydrophobicContact CD2-CD1 4.16Å; L346-I348 HydrophobicContact CG-CD1 4.3Å; L346-I348 HydrophobicContact CG-CG1 4.22Å; L346-V381 HydrophobicContact CD1-CB 4.24Å; L346-V381 HydrophobicContact CD1-CG1 4.14Å; L346-L383 HydrophobicContact CD1-CD1 4.13Å; L346-A394 HydrophobicContact CD1-CB 4.33Å; L346-A394 HydrophobicContact CD2-CB 4.32Å; L346-V395 HydrophobicContact CD2-CG2 3.99Å; L346-F398 HydrophobicContact CB-CB 4.04Å; L346-F398 HydrophobicContact CB-CD1 4.33Å; L346-F398 HydrophobicContact CB-CD2 3.69Å; L346-F398 HydrophobicContact CB-CE2 4.16Å; L346-F398 HydrophobicContact CB-CG 3.77Å; L346-F398 HydrophobicContact CD2-CB 3.79Å; L346-F398 HydrophobicContact CD2-CD1 4.37Å; L346-F398 HydrophobicContact CD2-CG 4.13Å; L346-F398 HydrophobicContact CG-CB 4.47Å; L346-L409 PolarHBondContact N-O 3.45Å; L346-L410 HydrophobicContact CB-CD1 3.91Å; L346-L410 HydrophobicContact CD2-CD1 3.78Å; L346-L410 HydrophobicContact CG-CD1 3.82Å; L346-L410 WeakPolarHBondContact O-CA 3.46Å; L346-Y411 PolarHBondContact O-N 2.99Å
347	L	98.6	Very high	94.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	124.6	178.3	-81.8	50	0	0	0	109.1	A345 V366 L369 T370 L373 V380 V381 S382 L383 L409 Y411	A345-L347 HydrophobicContact CB-CD1 3.87Å; L347-V366 HydrophobicContact CB-CG1 3.91Å; L347-V366 HydrophobicContact CD2-CG1 4.32Å; L347-L369 HydrophobicContact CD1-CD2 4.33Å; L347-L369 HydrophobicContact CD2-CB 4Å; L347-L369 HydrophobicContact CD2-CD2 3.93Å; L347-L369 HydrophobicContact CD2-CG 3.91Å; L347-L369 HydrophobicContact CG-CD2 3.96Å; L347-L369 HydrophobicContact CG-CG 4.47Å; L347-T370 VanDerWaalsContact CD2-OG1 3.25Å; L347-T370 WeakPolarHBondContact CD2-OG1 3.46Å; L347-L373 HydrophobicContact CD1-CD1 3.83Å; L347-L373 HydrophobicContact CD2-CD1 4.37Å; L347-V380 HydrophobicContact CD1-CG1 4.01Å; L347-V380 HydrophobicContact CD2-CG1 3.86Å; L347-V380 HydrophobicContact CG-CG1 4.39Å; L347-V381 PolarHBondContact N-O 3.05Å; L347-S382 WeakPolarHBondContact O-CA 3.35Å; L347-L383 PolarHBondContact O-N 2.79Å; L347-L409 HydrophobicContact CD1-CD2 4.18Å; L347-Y411 WeakPolarHBondContact CA-O 3.17Å; L347-Y411 HydrophobicContact CB-CD1 4.45Å; L347-Y411 HydrophobicContact CG-CD1 4.09Å; L347-Y411 HydrophobicContact CG-CG 4.43Å
348	I	98.8	Very high	95.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	126.6	177.6	-61	170.9	0	0	0	109.8	L346 L383 L386 M391 Y411 Y412 A413	L346-I348 HydrophobicContact CD1-CG1 4.2Å; L346-I348 HydrophobicContact CD2-CD1 4.16Å; L346-I348 HydrophobicContact CG-CD1 4.3Å; L346-I348 HydrophobicContact CG-CG1 4.22Å; I348-L383 WeakPolarHBondContact CA-O 3.48Å; I348-L386 HydrophobicContact CD1-CD1 4.08Å; I348-L386 HydrophobicContact CG1-CD1 4.04Å; I348-L386 HydrophobicContact CG2-CD1 4.08Å; I348-L386 HydrophobicContact CG2-CG 4.34Å; I348-M391 HydrophobicContact CD1-CE 4.11Å; I348-M391 HydrophobicContact CD1-CG 4.5Å; I348-M391 HydrophobicContact CG2-CE 4.23Å; I348-Y411 PolarHBondContact N-O 2.97Å; I348-Y412 HydrophobicContact CB-CD2 4.06Å; I348-Y412 HydrophobicContact CG2-CD2 4Å; I348-Y412 HydrophobicContact CG2-CE2 4.16Å; I348-Y412 WeakPolarHBondContact O-CA 3.45Å; I348-A413 PolarHBondContact O-N 2.94Å
349	G	98.3	Very high	95.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	106.4	175	0	0	0	0	0	111.8	L383 L384 D385 A413	G349-L383 PolarHBondContact N-O 2.86Å; G349-L384 VanDerWaalsContact O-CA 3.3Å; G349-L384 WeakPolarHBondContact O-CA 3.25Å; G349-L384 WeakPolarHBondContact O-CD2 3.36Å; G349-D385 PolarHBondContact O-N 3.3Å; G349-A413 WeakPolarHBondContact CA-O 3.47Å
350	N	98.3	Very high	95.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.192	C	C	.	.			trans	-104.3	120.8	-179.3	-77.3	-8.1	0	0	0	110.8	Y353 L386 M391 Y412 A413 V426 V428	N350-Y353 HydrophobicContact CB-CE1 4.31Å; N350-Y353 HydrophobicContact CB-CE2 4.37Å; N350-Y353 WeakPolarHBondContact CB-OH 3.26Å; N350-Y353 WeakPolarHBondContact O-CE2 3.43Å; N350-Y353 PolarHBondContact O-OH 2.75Å; N350-L386 PolarHBondContact OD1-N 2.7Å; N350-M391 PolarHBondContact ND2-SD 3.16Å; N350-M391 VanDerWaalsContact ND2-SD 3.35Å; N350-Y412 HydrophobicContact CB-CE2 4.4Å; N350-A413 PolarHBondContact N-O 2.91Å; N350-V426 PolarHBondContact ND2-O 2.95Å; N350-V428 HydrophobicContact CB-CG1 3.79Å
351	M	94.8	Very high	95.1	Very high	12 Å²	12	41.5 Å²	41.5	6%	0.059	20%	0.195	C	C	.	.			trans	-128.9	-46.4	-171.5	-61.2	177.5	-68.9	0	0	113.7	Y353 K358 L359 P362 L363 L384 D385	M351-Y353 VanDerWaalsContact C-N 3.29Å; M351-Y353 VanDerWaalsContact O-CD2 3.29Å; M351-Y353 WeakPolarHBondContact O-CD2 3.45Å; M351-Y353 PolarHBondContact O-N 2.79Å; M351-Y353 VanDerWaalsContact O-N 3.13Å; M351-K358 VanDerWaalsContact O-CA 3.24Å; M351-K358 WeakPolarHBondContact O-CA 3.29Å; M351-L359 PolarHBondContact O-N 2.76Å; M351-L359 VanDerWaalsContact O-N 3.11Å; M351-P362 HydrophobicContact CG-CB 3.68Å; M351-P362 HydrophobicContact CG-CG 3.85Å; M351-P362 HydrophobicContact SD-CB 4.25Å; M351-L363 HydrophobicContact CE-CB 3.91Å; M351-L363 HydrophobicContact CE-CD1 4.37Å; M351-L363 HydrophobicContact SD-CB 3.51Å; M351-L363 VanDerWaalsContact SD-CB 3.51Å; M351-L363 PolarHBondContact SD-N 2.85Å; M351-L384 HydrophobicContact CE-CB 4.46Å; M351-L384 HydrophobicContact CE-CD1 3.84Å; M351-L384 HydrophobicContact CE-CD2 4.2Å; M351-L384 HydrophobicContact CE-CG 4.41Å; M351-D385 WeakPolarHBondContact CA-OD1 3.19Å; M351-D385 WeakPolarHBondContact CB-OD1 3.31Å; M351-D385 PolarHBondContact N-OD1 3.43Å
352	N	95.3	Very high	95.2	Very high	73 Å²	73	38.7 Å²	38.7	39%	0.39	18%	0.183	S	C	.	.			trans	-90.7	54.9	-170.2	-78.6	-67.2	0	0	0	112.2	K358 D385	N352-K358 PolarHBondContact OD1-NZ 2.78Å; N352-D385 PolarHBondContact N-OD1 3.37Å; N352-D385 PolarHBondContact ND2-OD2 2.8Å
353	Y	96.8	Very high	95.2	Very high	3 Å²	3	39.4 Å²	39.4	1%	0.012	19%	0.187	C	C	.	.			trans	-57.3	139.7	174.6	-57.9	-92.6	0	0	0	111.6	N350 M351 H356 L359 Y412 G414 H415 V426 P427 V428	N350-Y353 HydrophobicContact CB-CE1 4.31Å; N350-Y353 HydrophobicContact CB-CE2 4.37Å; N350-Y353 WeakPolarHBondContact CB-OH 3.26Å; N350-Y353 WeakPolarHBondContact O-CE2 3.43Å; N350-Y353 PolarHBondContact O-OH 2.75Å; M351-Y353 VanDerWaalsContact C-N 3.29Å; M351-Y353 VanDerWaalsContact O-CD2 3.29Å; M351-Y353 WeakPolarHBondContact O-CD2 3.45Å; M351-Y353 PolarHBondContact O-N 2.79Å; M351-Y353 VanDerWaalsContact O-N 3.13Å; Y353-H356 HydrophobicContact CD1-CB 4.43Å; Y353-H356 HydrophobicContact CG-CB 4.14Å; Y353-L359 HydrophobicContact CE2-CD1 4.07Å; Y353-L359 HydrophobicContact CE2-CG 4.3Å; Y353-Y412 PolarHBondContact OH-OH 3.36Å; Y353-G414 WeakPolarHBondContact OH-CA 3.44Å; Y353-H415 AromaticContact CD1-CD2 3.86Å; Y353-H415 AromaticContact CD2-CD2 3.48Å; Y353-H415 VanDerWaalsContact CD2-CD2 3.48Å; Y353-H415 WeakPolarHBondContact CD2-CD2 3.32Å; Y353-H415 AromaticContact CD2-NE2 3.87Å; Y353-H415 HydrophobicContact CE1-CB 4.01Å; Y353-H415 AromaticContact CE1-CD2 3.7Å; Y353-H415 AromaticContact CE2-CD2 3.34Å; Y353-H415 WeakPolarHBondContact CE2-CD2 3.41Å; Y353-H415 AromaticContact CE2-NE2 3.92Å; Y353-H415 AromaticContact CG-CD2 3.77Å; Y353-H415 AromaticContact CZ-CD2 3.47Å; Y353-H415 VanDerWaalsContact CZ-CD2 3.47Å; Y353-H415 AromaticContact CZ-CG 3.97Å; Y353-H415 PolarHBondContact OH-N 3.44Å; Y353-V426 HydrophobicContact CE1-CG1 4.29Å; Y353-V426 WeakPolarHBondContact CE1-O 3.19Å; Y353-P427 WeakPolarHBondContact CD1-O 3.42Å; Y353-V428 WeakPolarHBondContact CA-O 3.15Å
354	R	95.9	Very high	95.1	Very high	161 Å²	161	39.6 Å²	39.6	61%	0.608	19%	0.188	S	C	*	.	S	Bend	trans	-75.2	-50	178.5	-62.6	178	-176.7	159.3	1.2	111.8	V428	R354-V428 PolarHBondContact N-O 2.92Å
355	E	96.4	Very high	95.1	Very high	116 Å²	116	39.7 Å²	39.7	54%	0.542	19%	0.189	S	C	.	.	S	Bend	trans	-107.9	6.8	-171.4	-53.6	-57.5	142.3	0	0	114.1	N432	E355-N432 HydrophobicContact CB-CB 3.71Å; E355-N432 PolarHBondContact O-ND2 2.84Å
356	H	94.6	Very high	95	Very high	31 Å²	31	39.7 Å²	39.7	14%	0.144	19%	0.189	C	C	.	.	S	Bend	trans	-135.4	163.8	-172.6	-59.7	99.8	0	0	0	112.1	Y353 K358 A430 P431 Y434	Y353-H356 HydrophobicContact CD1-CB 4.43Å; Y353-H356 HydrophobicContact CG-CB 4.14Å; H356-K358 PolarHBondContact O-N 2.85Å; H356-A430 PolarHBondContact CE1-O 3.44Å; H356-A430 PolarHBondContact ND1-O 2.86Å; H356-P431 PolarHBondContact CE1-O 2.85Å; H356-P431 VanDerWaalsContact CE1-O 3.26Å; H356-Y434 AromaticContact CD2-CE1 3.95Å; H356-Y434 AromaticContact CE1-CD1 3.45Å; H356-Y434 VanDerWaalsContact CE1-CD1 3.45Å; H356-Y434 WeakPolarHBondContact CE1-CD1 3.36Å; H356-Y434 AromaticContact CE1-CE1 3.77Å; H356-Y434 AromaticContact NE2-CD1 3.32Å; H356-Y434 VanDerWaalsContact NE2-CD1 3.32Å; H356-Y434 WeakPolarHBondContact NE2-CD1 3.49Å; H356-Y434 AromaticContact NE2-CE1 3.35Å; H356-Y434 WeakPolarHBondContact NE2-CE1 3.48Å
357	P	92.8	Very high	94.9	Very high	94 Å²	94	41.6 Å²	41.6	61%	0.61	20%	0.196	S	C	*	.			trans	-56.7	132.5	178.5	-25.5	35.6	0	0	0	112.2	H415	P357-H415 PolarHBondContact O-NE2 3.41Å
358	K	92.6	Very high	94.7	Very high	133 Å²	133	44.2 Å²	44.2	58%	0.578	21%	0.208	S	C	*	.			trans	-73.2	146.1	175.6	-64.1	-168.4	171.8	-157.3	0	111.7	M351 N352 H356	M351-K358 VanDerWaalsContact O-CA 3.24Å; M351-K358 WeakPolarHBondContact O-CA 3.29Å; N352-K358 PolarHBondContact OD1-NZ 2.78Å; H356-K358 PolarHBondContact O-N 2.85Å
359	L	90.8	Very high	94.7	Very high	37 Å²	37	44.2 Å²	44.2	19%	0.194	21%	0.208	C	C	.	.			trans	-108	169.5	174.4	-56.4	174.9	0	0	0	110.2	M351 Y353 P362	M351-L359 PolarHBondContact O-N 2.76Å; M351-L359 VanDerWaalsContact O-N 3.11Å; Y353-L359 HydrophobicContact CE2-CD1 4.07Å; Y353-L359 HydrophobicContact CE2-CG 4.3Å; L359-P362 HydrophobicContact CB-CG 4.17Å; L359-P362 HydrophobicContact CD1-CG 4.42Å
360	K	89.6	Confident	94.6	Very high	134 Å²	134	44.4 Å²	44.4	58%	0.583	21%	0.209	S	C	*	.	S	Bend	trans	-133.8	-37.5	-179.8	-64.7	-176.1	-178.6	179.5	0	114.1	E500	K360-E500 PolarHBondContact N-OE1 2.8Å; K360-E500 PolarHBondContact N-OE2 3.06Å
361	A	90.7	Very high	94.4	Very high	7 Å²	7	46.7 Å²	46.7	6%	0.058	22%	0.222	C	C	.	.	H	α-helix	trans	-60.4	-35.3	-178.1	0	0	0	0	0	115.1	L363 V364 D365 E500	A361-L363 PolarHBondContact O-N 3.06Å; A361-V364 PolarHBondContact O-N 2.86Å; A361-D365 WeakPolarHBondContact CB-OD2 3.41Å; A361-D365 PolarHBondContact O-N 2.98Å; A361-E500 HydrophobicContact CB-CB 3.69Å; A361-E500 WeakPolarHBondContact CB-OE2 3.32Å; A361-E500 PolarHBondContact N-OE2 3.15Å
362	P	94.9	Very high	94.5	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.032	23%	0.225	C	C	.	.	H	α-helix	trans	-54.6	-29.4	-176.8	-29.4	35.5	0	0	0	115.4	M351 L359 V366 A413	M351-P362 HydrophobicContact CG-CB 3.68Å; M351-P362 HydrophobicContact CG-CG 3.85Å; M351-P362 HydrophobicContact SD-CB 4.25Å; L359-P362 HydrophobicContact CB-CG 4.17Å; L359-P362 HydrophobicContact CD1-CG 4.42Å; P362-V366 VanDerWaalsContact O-CB 3.27Å; P362-V366 WeakPolarHBondContact O-CB 3.4Å; P362-V366 VanDerWaalsContact O-CG2 3.26Å; P362-V366 WeakPolarHBondContact O-CG2 3.39Å; P362-V366 PolarHBondContact O-N 2.86Å; P362-A413 HydrophobicContact CB-CB 3.77Å; P362-A413 HydrophobicContact CG-CB 4Å
363	L	92.7	Very high	94.6	Very high	16 Å²	16	43.8 Å²	43.8	8%	0.084	21%	0.206	C	C	.	.	H	α-helix	trans	-62.7	-48.8	174.1	172.9	139.4	0	0	0	111.9	M351 A361 Y367 L384 F608 L658	M351-L363 HydrophobicContact CE-CB 3.91Å; M351-L363 HydrophobicContact CE-CD1 4.37Å; M351-L363 HydrophobicContact SD-CB 3.51Å; M351-L363 VanDerWaalsContact SD-CB 3.51Å; M351-L363 PolarHBondContact SD-N 2.85Å; A361-L363 PolarHBondContact O-N 3.06Å; L363-Y367 WeakPolarHBondContact O-CB 3.38Å; L363-Y367 PolarHBondContact O-N 2.7Å; L363-L384 HydrophobicContact CD1-CD1 4.16Å; L363-L384 HydrophobicContact CG-CD1 4.46Å; L363-F608 HydrophobicContact CD1-CE2 4.47Å; L363-F608 HydrophobicContact CG-CE2 4.36Å; L363-F608 HydrophobicContact CG-CZ 4.19Å; L363-F608 WeakPolarHBondContact O-CZ 3.47Å; L363-L658 HydrophobicContact CD1-CD1 4.48Å; L363-L658 HydrophobicContact CD2-CD1 3.48Å; L363-L658 VanDerWaalsContact CD2-CD1 3.48Å; L363-L658 HydrophobicContact CD2-CD2 4.09Å; L363-L658 HydrophobicContact CD2-CG 3.82Å; L363-L658 HydrophobicContact CG-CD1 3.72Å
364	V	93.4	Very high	94.4	Very high	7 Å²	7	48.5 Å²	48.5	4%	0.042	22%	0.224	C	C	.	.	H	α-helix	trans	-70.3	-41.5	179.2	-174.8	0	0	0	0	110	A361 Y367 E368 L506	A361-V364 PolarHBondContact O-N 2.86Å; V364-Y367 PolarHBondContact O-N 3.05Å; V364-E368 HydrophobicContact CG1-CG 4.34Å; V364-E368 PolarHBondContact O-N 2.93Å; V364-L506 HydrophobicContact CG2-CD2 4.18Å
365	D	95.6	Very high	94.4	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.016	22%	0.223	C	C	.	.	H	α-helix	trans	-68.7	-43.6	-173.6	-63.4	-30.2	0	0	0	112.7	A361 Y367 L369 Y411 N508 G509 M512	A361-D365 WeakPolarHBondContact CB-OD2 3.41Å; A361-D365 PolarHBondContact O-N 2.98Å; D365-Y367 VanDerWaalsContact C-N 3.34Å; D365-L369 VanDerWaalsContact O-CB 3.25Å; D365-L369 WeakPolarHBondContact O-CB 3.49Å; D365-L369 PolarHBondContact O-N 3.46Å; D365-Y411 WeakPolarHBondContact CB-OH 3.26Å; D365-N508 WeakPolarHBondContact OD1-CA 3.27Å; D365-N508 WeakPolarHBondContact OD1-CB 2.99Å; D365-N508 PolarHBondContact OD1-ND2 3.02Å; D365-G509 PolarHBondContact OD1-N 3.44Å; D365-G509 WeakPolarHBondContact OD2-CA 3.35Å; D365-G509 PolarHBondContact OD2-N 3.08Å; D365-M512 HydrophobicContact CB-CB 3.87Å; D365-M512 HydrophobicContact CB-CE 4.42Å; D365-M512 HydrophobicContact CB-CG 3.9Å; D365-M512 WeakPolarHBondContact OD1-CB 3.4Å; D365-M512 WeakPolarHBondContact OD1-CG 3.19Å
366	V	96.9	Very high	94.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.9	-39.1	173.9	170.4	0	0	0	0	111	L347 P362 T370 L384 Y411 F608	L347-V366 HydrophobicContact CB-CG1 3.91Å; L347-V366 HydrophobicContact CD2-CG1 4.32Å; P362-V366 VanDerWaalsContact O-CB 3.27Å; P362-V366 WeakPolarHBondContact O-CB 3.4Å; P362-V366 VanDerWaalsContact O-CG2 3.26Å; P362-V366 WeakPolarHBondContact O-CG2 3.39Å; P362-V366 PolarHBondContact O-N 2.86Å; V366-T370 VanDerWaalsContact O-CB 3.25Å; V366-T370 WeakPolarHBondContact O-CB 3.4Å; V366-T370 PolarHBondContact O-N 3.21Å; V366-T370 PolarHBondContact O-OG1 2.97Å; V366-L384 HydrophobicContact CB-CD2 4.47Å; V366-Y411 HydrophobicContact CG2-CD1 4.16Å; V366-Y411 HydrophobicContact CG2-CE1 3.85Å; V366-F608 HydrophobicContact CB-CE1 4.12Å; V366-F608 HydrophobicContact CG1-CD1 3.94Å; V366-F608 HydrophobicContact CG1-CE1 3.74Å
367	Y	94.6	Very high	94.5	Very high	41 Å²	41	45.5 Å²	45.5	16%	0.161	22%	0.221	C	C	.	.	H	α-helix	trans	-66.6	-49.9	-179.3	-176.7	-102.4	0	0	0	112.5	L363 V364 D365 T370 N371 F608 L658 V659	L363-Y367 WeakPolarHBondContact O-CB 3.38Å; L363-Y367 PolarHBondContact O-N 2.7Å; V364-Y367 PolarHBondContact O-N 3.05Å; D365-Y367 VanDerWaalsContact C-N 3.34Å; Y367-T370 WeakPolarHBondContact O-CB 3.43Å; Y367-T370 PolarHBondContact O-N 3.05Å; Y367-N371 WeakPolarHBondContact CE1-ND2 3.5Å; Y367-N371 PolarHBondContact O-N 3.32Å; Y367-N371 PolarHBondContact O-ND2 2.8Å; Y367-F608 HydrophobicContact CD2-CE1 4.46Å; Y367-F608 HydrophobicContact CD2-CZ 4.36Å; Y367-L658 HydrophobicContact CD1-CB 4.04Å; Y367-L658 HydrophobicContact CD1-CD1 4.19Å; Y367-L658 HydrophobicContact CD1-CD2 3.8Å; Y367-L658 HydrophobicContact CD1-CG 4.22Å; Y367-L658 HydrophobicContact CD2-CB 4.08Å; Y367-L658 HydrophobicContact CD2-CD1 3.84Å; Y367-L658 HydrophobicContact CD2-CG 4.47Å; Y367-L658 HydrophobicContact CE1-CB 3.92Å; Y367-L658 HydrophobicContact CE1-CD2 4.32Å; Y367-L658 HydrophobicContact CE2-CB 3.98Å; Y367-L658 HydrophobicContact CG-CB 4.1Å; Y367-L658 HydrophobicContact CG-CD1 3.62Å; Y367-L658 HydrophobicContact CG-CD2 4.09Å; Y367-L658 HydrophobicContact CG-CG 4.15Å; Y367-V659 HydrophobicContact CE2-CG1 4.1Å
368	E	95.1	Very high	94.6	Very high	56 Å²	56	41.4 Å²	41.4	26%	0.262	19%	0.193	S	C	.	.	H	α-helix	trans	-63.7	-44.7	178.3	-71.5	-169.3	154.4	0	0	111.4	V364 T370 N371 L372 N508 K516	V364-E368 HydrophobicContact CG1-CG 4.34Å; V364-E368 PolarHBondContact O-N 2.93Å; E368-T370 VanDerWaalsContact C-N 3.31Å; E368-T370 PolarHBondContact O-N 3.36Å; E368-N371 PolarHBondContact O-N 2.63Å; E368-L372 WeakPolarHBondContact O-CG 3.49Å; E368-L372 PolarHBondContact O-N 3.13Å; E368-N508 VanDerWaalsContact OE2-CG 3.31Å; E368-N508 PolarHBondContact OE2-ND2 2.83Å; E368-N508 PolarHBondContact OE2-OD1 3.02Å; E368-K516 IonicContact OE1-NZ 3.67Å; E368-K516 PolarHBondContact OE1-NZ 3.1Å; E368-K516 WeakPolarHBondContact OE2-CD 3.45Å; E368-K516 WeakPolarHBondContact OE2-CE 3.27Å; E368-K516 IonicContact OE2-NZ 3.8Å; E368-K516 PolarHBondContact OE2-NZ 3.05Å
369	L	97.9	Very high	94.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.2	-38.5	176.7	-174.6	64.1	0	0	0	112.2	L347 D365 N371 L372 L373 Y411 M512 L515 L519	L347-L369 HydrophobicContact CD1-CD2 4.33Å; L347-L369 HydrophobicContact CD2-CB 4Å; L347-L369 HydrophobicContact CD2-CD2 3.93Å; L347-L369 HydrophobicContact CD2-CG 3.91Å; L347-L369 HydrophobicContact CG-CD2 3.96Å; L347-L369 HydrophobicContact CG-CG 4.47Å; D365-L369 VanDerWaalsContact O-CB 3.25Å; D365-L369 WeakPolarHBondContact O-CB 3.49Å; D365-L369 PolarHBondContact O-N 3.46Å; L369-N371 VanDerWaalsContact C-N 3.3Å; L369-N371 PolarHBondContact O-N 2.97Å; L369-L372 PolarHBondContact O-N 2.94Å; L369-L373 HydrophobicContact CD1-CD1 4.06Å; L369-L373 HydrophobicContact CD1-CG 4.03Å; L369-L373 HydrophobicContact CD2-CD1 4.25Å; L369-L373 HydrophobicContact CG-CD1 3.79Å; L369-L373 HydrophobicContact CG-CG 4.19Å; L369-L373 WeakPolarHBondContact O-CB 3.42Å; L369-L373 WeakPolarHBondContact O-CG 3.38Å; L369-L373 PolarHBondContact O-N 2.96Å; L369-Y411 HydrophobicContact CD2-CD1 3.59Å; L369-Y411 HydrophobicContact CD2-CD2 3.6Å; L369-Y411 HydrophobicContact CD2-CE1 4.14Å; L369-Y411 HydrophobicContact CD2-CE2 4.17Å; L369-Y411 HydrophobicContact CD2-CG 3.27Å; L369-M512 HydrophobicContact CB-CE 3.7Å; L369-M512 HydrophobicContact CB-SD 4.1Å; L369-M512 HydrophobicContact CD1-CE 4.15Å; L369-M512 HydrophobicContact CD1-SD 4.44Å; L369-M512 HydrophobicContact CD2-CE 3.92Å; L369-M512 HydrophobicContact CG-CE 4.12Å; L369-L515 HydrophobicContact CD1-CD2 4.36Å; L369-L519 HydrophobicContact CD1-CD2 3.41Å; L369-L519 VanDerWaalsContact CD1-CD2 3.41Å
370	T	95.9	Very high	94.8	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.018	16%	0.162	C	C	.	.	H	α-helix	trans	-56.5	-46.4	175.2	-64.7	0	0	0	0	110.8	L347 V366 Y367 E368 R374 V380 S382	L347-T370 VanDerWaalsContact CD2-OG1 3.25Å; L347-T370 WeakPolarHBondContact CD2-OG1 3.46Å; V366-T370 VanDerWaalsContact O-CB 3.25Å; V366-T370 WeakPolarHBondContact O-CB 3.4Å; V366-T370 PolarHBondContact O-N 3.21Å; V366-T370 PolarHBondContact O-OG1 2.97Å; Y367-T370 WeakPolarHBondContact O-CB 3.43Å; Y367-T370 PolarHBondContact O-N 3.05Å; E368-T370 VanDerWaalsContact C-N 3.31Å; E368-T370 PolarHBondContact O-N 3.36Å; T370-R374 WeakPolarHBondContact O-CB 3.47Å; T370-R374 VanDerWaalsContact O-CG 3.25Å; T370-R374 WeakPolarHBondContact O-CG 3Å; T370-R374 PolarHBondContact O-N 3.05Å; T370-V380 HydrophobicContact CG2-CB 4.29Å; T370-V380 HydrophobicContact CG2-CG1 3.93Å; T370-S382 VanDerWaalsContact OG1-CB 3.25Å; T370-S382 WeakPolarHBondContact OG1-CB 3.38Å
371	N	94.1	Very high	95	Very high	49 Å²	49	29 Å²	29	26%	0.262	14%	0.139	S	C	.	.	H	α-helix	trans	-74.3	-30.5	-176.5	-67.8	-27.5	0	0	0	113	Y367 E368 L369 R374 Q375	Y367-N371 WeakPolarHBondContact CE1-ND2 3.5Å; Y367-N371 PolarHBondContact O-N 3.32Å; Y367-N371 PolarHBondContact O-ND2 2.8Å; E368-N371 PolarHBondContact O-N 2.63Å; L369-N371 VanDerWaalsContact C-N 3.3Å; L369-N371 PolarHBondContact O-N 2.97Å; N371-R374 PolarHBondContact OD1-NH1 2.81Å; N371-Q375 WeakPolarHBondContact O-CG 3.45Å; N371-Q375 PolarHBondContact O-N 3.22Å; N371-Q375 PolarHBondContact O-NE2 2.81Å
372	L	97.9	Very high	95.2	Very high	24 Å²	24	28.7 Å²	28.7	13%	0.126	14%	0.137	C	C	.	.	H	α-helix	trans	-72.5	-42.4	172.9	-64.8	167.7	0	0	0	112	E368 L369 R374 Q375 L376 K516 L519 L520	E368-L372 WeakPolarHBondContact O-CG 3.49Å; E368-L372 PolarHBondContact O-N 3.13Å; L369-L372 PolarHBondContact O-N 2.94Å; L372-R374 VanDerWaalsContact C-N 3.33Å; L372-R374 PolarHBondContact O-N 3.13Å; L372-Q375 WeakPolarHBondContact O-CB 3.49Å; L372-Q375 PolarHBondContact O-N 2.97Å; L372-L376 PolarHBondContact O-N 3.02Å; L372-K516 HydrophobicContact CD1-CB 3.69Å; L372-L519 HydrophobicContact CB-CD2 3.73Å; L372-L519 HydrophobicContact CD1-CD2 4.28Å; L372-L520 HydrophobicContact CB-CD2 4.33Å; L372-L520 HydrophobicContact CD2-CD1 3.83Å; L372-L520 HydrophobicContact CD2-CD2 4.13Å; L372-L520 HydrophobicContact CD2-CG 3.96Å
373	L	97.9	Very high	95.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-66.8	-34.8	176.7	-71.6	175	0	0	0	112	A345 L347 L369 Q375 L376 D377 F378 V380 L409 L519	A345-L373 HydrophobicContact CB-CD1 3.95Å; L347-L373 HydrophobicContact CD1-CD1 3.83Å; L347-L373 HydrophobicContact CD2-CD1 4.37Å; L369-L373 HydrophobicContact CD1-CD1 4.06Å; L369-L373 HydrophobicContact CD1-CG 4.03Å; L369-L373 HydrophobicContact CD2-CD1 4.25Å; L369-L373 HydrophobicContact CG-CD1 3.79Å; L369-L373 HydrophobicContact CG-CG 4.19Å; L369-L373 WeakPolarHBondContact O-CB 3.42Å; L369-L373 WeakPolarHBondContact O-CG 3.38Å; L369-L373 PolarHBondContact O-N 2.96Å; L373-Q375 VanDerWaalsContact C-N 3.33Å; L373-Q375 PolarHBondContact O-N 3.17Å; L373-L376 HydrophobicContact CD2-CD1 4.48Å; L373-L376 CarbonylContact O-C 3.24Å; L373-L376 WeakPolarHBondContact O-CA 3.31Å; L373-L376 PolarHBondContact O-N 3.42Å; L373-D377 PolarHBondContact O-N 3Å; L373-F378 HydrophobicContact CB-CB 4Å; L373-F378 HydrophobicContact CB-CD2 4.38Å; L373-F378 HydrophobicContact CB-CG 4.27Å; L373-F378 HydrophobicContact CD2-CD2 3.97Å; L373-F378 HydrophobicContact CD2-CE2 4.13Å; L373-F378 HydrophobicContact CD2-CG 4.25Å; L373-F378 WeakPolarHBondContact O-CB 3.23Å; L373-F378 PolarHBondContact O-N 3.07Å; L373-V380 HydrophobicContact CB-CG2 3.62Å; L373-L409 HydrophobicContact CD1-CD1 4.47Å; L373-L409 HydrophobicContact CD1-CD2 3.96Å; L373-L409 HydrophobicContact CD2-CD1 4.08Å; L373-L519 HydrophobicContact CD2-CD2 4.07Å; L373-L519 HydrophobicContact CG-CD2 4.26Å
374	R	93.1	Very high	95.6	Very high	101 Å²	101	28 Å²	28	38%	0.381	13%	0.133	S	C	.	.	H	α-helix	trans	-61.4	-37.3	170.8	-77.2	170.5	178.2	163.7	-2	112.9	T370 N371 L372 L376 D377 V380	T370-R374 WeakPolarHBondContact O-CB 3.47Å; T370-R374 VanDerWaalsContact O-CG 3.25Å; T370-R374 WeakPolarHBondContact O-CG 3Å; T370-R374 PolarHBondContact O-N 3.05Å; N371-R374 PolarHBondContact OD1-NH1 2.81Å; L372-R374 VanDerWaalsContact C-N 3.33Å; L372-R374 PolarHBondContact O-N 3.13Å; R374-L376 PolarHBondContact O-N 3.44Å; R374-D377 PolarHBondContact O-N 2.94Å; R374-V380 HydrophobicContact CG-CG2 4.12Å
375	Q	95.3	Very high	95.8	Very high	125 Å²	125	29.3 Å²	29.3	58%	0.584	14%	0.139	S	C	*	.	H	α-helix	trans	-67.2	-19.4	172.3	-73.4	166.5	77.1	0	0	113	N371 L372 L373 L520	N371-Q375 WeakPolarHBondContact O-CG 3.45Å; N371-Q375 PolarHBondContact O-N 3.22Å; N371-Q375 PolarHBondContact O-NE2 2.81Å; L372-Q375 WeakPolarHBondContact O-CB 3.49Å; L372-Q375 PolarHBondContact O-N 2.97Å; L373-Q375 VanDerWaalsContact C-N 3.33Å; L373-Q375 PolarHBondContact O-N 3.17Å; Q375-L520 HydrophobicContact CB-CD2 4.23Å
376	L	96.7	Very high	95.9	Very high	12 Å²	12	29.1 Å²	29.1	6%	0.063	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	25.4	173.9	-61.9	170.8	0	0	0	111.9	K343 L372 L373 R374 F378 L519 L520 L560 T561	K343-L376 WeakPolarHBondContact CE-O 3.36Å; K343-L376 PolarHBondContact NZ-O 3.35Å; L372-L376 PolarHBondContact O-N 3.02Å; L373-L376 HydrophobicContact CD2-CD1 4.48Å; L373-L376 CarbonylContact O-C 3.24Å; L373-L376 WeakPolarHBondContact O-CA 3.31Å; L373-L376 PolarHBondContact O-N 3.42Å; R374-L376 PolarHBondContact O-N 3.44Å; L376-F378 HydrophobicContact CB-CD2 3.9Å; L376-F378 HydrophobicContact CB-CE2 4.13Å; L376-F378 VanDerWaalsContact O-CD2 3.31Å; L376-F378 WeakPolarHBondContact O-CD2 3.45Å; L376-F378 PolarHBondContact O-N 3.31Å; L376-F378 VanDerWaalsContact O-N 3.16Å; L376-L519 HydrophobicContact CD1-CD2 4.48Å; L376-L519 HydrophobicContact CD1-CG 4.29Å; L376-L520 HydrophobicContact CD1-CD2 3.97Å; L376-L520 HydrophobicContact CD2-CD2 3.93Å; L376-L520 HydrophobicContact CG-CD2 3.71Å; L376-L560 HydrophobicContact CD1-CB 3.94Å; L376-T561 HydrophobicContact CD2-CG2 3.66Å
377	D	95.3	Very high	95.9	Very high	108 Å²	108	29.7 Å²	29.7	58%	0.578	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	23.7	179.7	-51.9	-59.5	0	0	0	115.7	L373 R374 I564	L373-D377 PolarHBondContact O-N 3Å; R374-D377 PolarHBondContact O-N 2.94Å; D377-I564 HydrophobicContact CB-CD1 4.09Å
378	F	95.6	Very high	96	Very high	8 Å²	8	30.1 Å²	30.1	4%	0.035	15%	0.145	C	C	.	.			trans	-78	136.4	174.3	-78.8	-104.9	0	0	0	112.2	K343 A345 L373 L376 V380 L409 L560	K343-F378 HydrophobicContact CB-CD1 3.78Å; K343-F378 HydrophobicContact CB-CD2 4.05Å; K343-F378 HydrophobicContact CB-CE1 3.88Å; K343-F378 HydrophobicContact CB-CE2 4.14Å; K343-F378 HydrophobicContact CB-CG 3.87Å; K343-F378 HydrophobicContact CB-CZ 4.05Å; K343-F378 HydrophobicContact CD-CD2 4.3Å; K343-F378 HydrophobicContact CD-CE2 3.83Å; K343-F378 HydrophobicContact CD-CZ 4.08Å; K343-F378 HydrophobicContact CG-CE2 4.42Å; K343-F378 HydrophobicContact CG-CZ 4.31Å; K343-F378 WeakPolarHBondContact O-CA 3.27Å; A345-F378 HydrophobicContact CB-CD1 3.91Å; L373-F378 HydrophobicContact CB-CB 4Å; L373-F378 HydrophobicContact CB-CD2 4.38Å; L373-F378 HydrophobicContact CB-CG 4.27Å; L373-F378 HydrophobicContact CD2-CD2 3.97Å; L373-F378 HydrophobicContact CD2-CE2 4.13Å; L373-F378 HydrophobicContact CD2-CG 4.25Å; L373-F378 WeakPolarHBondContact O-CB 3.23Å; L373-F378 PolarHBondContact O-N 3.07Å; L376-F378 HydrophobicContact CB-CD2 3.9Å; L376-F378 HydrophobicContact CB-CE2 4.13Å; L376-F378 VanDerWaalsContact O-CD2 3.31Å; L376-F378 WeakPolarHBondContact O-CD2 3.45Å; L376-F378 PolarHBondContact O-N 3.31Å; L376-F378 VanDerWaalsContact O-N 3.16Å; F378-V380 HydrophobicContact CB-CG2 3.86Å; F378-V380 PolarHBondContact O-N 3.3Å; F378-V380 VanDerWaalsContact O-N 3.08Å; F378-L409 HydrophobicContact CE1-CB 4.18Å; F378-L560 HydrophobicContact CE2-CB 4.19Å; F378-L560 HydrophobicContact CE2-CD2 4.47Å; F378-L560 HydrophobicContact CZ-CB 4.49Å; F378-L560 HydrophobicContact CZ-CD2 3.95Å
379	K	92.8	Very high	95.9	Very high	27 Å²	27	32.1 Å²	32.1	12%	0.117	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	88.7	159.1	-72.1	161.2	-178	155.5	0	109.1	D342 K343 V344 A345 N577 W580	D342-K379 WeakPolarHBondContact OD1-CE 3.47Å; D342-K379 IonicContact OD1-NZ 2.71Å; D342-K379 PolarHBondContact OD1-NZ 2.73Å; D342-K379 IonicContact OD2-NZ 3.48Å; D342-K379 PolarHBondContact OD2-NZ 2.81Å; K343-K379 PolarHBondContact O-N 3.17Å; V344-K379 HydrophobicContact CG2-CB 4.41Å; V344-K379 HydrophobicContact CG2-CD 4.45Å; A345-K379 PolarHBondContact N-O 2.71Å; K379-N577 WeakPolarHBondContact CE-OD1 3.24Å; K379-N577 PolarHBondContact NZ-OD1 3.4Å; K379-W580 VanDerWaalsContact C-NE1 3.3Å; K379-W580 HydrophobicContact CB-CD2 3.93Å; K379-W580 HydrophobicContact CB-CG 3.79Å; K379-W580 HydrophobicContact CG-CD2 3.87Å; K379-W580 HydrophobicContact CG-CE3 4.24Å; K379-W580 HydrophobicContact CG-CG 3.99Å
380	V	94.1	Very high	95.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	133.1	-179.7	-170.9	0	0	0	0	110.6	A345 L347 T370 L373 R374 F378 W580 H584	A345-V380 HydrophobicContact CB-CG1 4.46Å; A345-V380 HydrophobicContact CB-CG2 4.31Å; A345-V380 CarbonylContact O-C 3.59Å; A345-V380 WeakPolarHBondContact O-CA 3.2Å; L347-V380 HydrophobicContact CD1-CG1 4.01Å; L347-V380 HydrophobicContact CD2-CG1 3.86Å; L347-V380 HydrophobicContact CG-CG1 4.39Å; T370-V380 HydrophobicContact CG2-CB 4.29Å; T370-V380 HydrophobicContact CG2-CG1 3.93Å; L373-V380 HydrophobicContact CB-CG2 3.62Å; R374-V380 HydrophobicContact CG-CG2 4.12Å; F378-V380 HydrophobicContact CB-CG2 3.86Å; F378-V380 PolarHBondContact O-N 3.3Å; F378-V380 VanDerWaalsContact O-N 3.08Å; V380-W580 PolarHBondContact O-NE1 3.38Å; V380-H584 PolarHBondContact O-CE1 3.46Å; V380-H584 PolarHBondContact O-NE2 2.73Å; V380-H584 VanDerWaalsContact O-NE2 3.13Å
381	V	93.9	Very high	95.9	Very high	17 Å²	17	32.5 Å²	32.5	10%	0.103	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	123.9	159.5	176.3	0	0	0	0	107	A345 L346 L347 L383 I712	A345-V381 PolarHBondContact O-N 2.66Å; L346-V381 HydrophobicContact CD1-CB 4.24Å; L346-V381 HydrophobicContact CD1-CG1 4.14Å; L347-V381 PolarHBondContact N-O 3.05Å; V381-L383 HydrophobicContact CG1-CD1 4.05Å; V381-L383 HydrophobicContact CG1-CD2 4.37Å; V381-L383 HydrophobicContact CG1-CG 4Å; V381-I712 HydrophobicContact CG1-CD1 3.89Å
382	S	96.1	Very high	95.9	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.007	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	126.4	-178.1	59.8	0	0	0	0	111.3	L347 T370 S609	L347-S382 WeakPolarHBondContact O-CA 3.35Å; T370-S382 VanDerWaalsContact OG1-CB 3.25Å; T370-S382 WeakPolarHBondContact OG1-CB 3.38Å; S382-S609 PolarHBondContact N-OG 3.42Å; S382-S609 WeakPolarHBondContact O-CA 3.14Å; S382-S609 WeakPolarHBondContact O-CB 3.47Å; S382-S609 PolarHBondContact O-N 2.84Å; S382-S609 PolarHBondContact O-OG 3.16Å
383	L	97.1	Very high	95.7	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	137.6	-169	-62.7	172.1	0	0	0	111.4	L346 L347 I348 G349 V381 L386 A394 N610 I712	L346-L383 HydrophobicContact CD1-CD1 4.13Å; L347-L383 PolarHBondContact O-N 2.79Å; I348-L383 WeakPolarHBondContact CA-O 3.48Å; G349-L383 PolarHBondContact N-O 2.86Å; V381-L383 HydrophobicContact CG1-CD1 4.05Å; V381-L383 HydrophobicContact CG1-CD2 4.37Å; V381-L383 HydrophobicContact CG1-CG 4Å; L383-L386 HydrophobicContact CB-CD1 3.78Å; L383-L386 HydrophobicContact CB-CD2 4.07Å; L383-L386 HydrophobicContact CB-CG 4.07Å; L383-L386 HydrophobicContact CD1-CD1 3.81Å; L383-L386 HydrophobicContact CG-CD1 4.43Å; L383-A394 HydrophobicContact CD1-CB 3.58Å; L383-N610 WeakPolarHBondContact CA-OD1 3.18Å; L383-N610 HydrophobicContact CD2-CB 3.68Å; L383-I712 HydrophobicContact CD2-CB 4.32Å; L383-I712 HydrophobicContact CD2-CD1 4.17Å; L383-I712 HydrophobicContact CD2-CG1 3.96Å; L383-I712 HydrophobicContact CD2-CG2 4.43Å
384	L	97.6	Very high	95.4	Very high	6 Å²	6	34.5 Å²	34.5	3%	0.031	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	149.1	175.9	-64.3	-174.3	0	0	0	113	G349 M351 L363 V366 L386 F608 N610 V611	G349-L384 VanDerWaalsContact O-CA 3.3Å; G349-L384 WeakPolarHBondContact O-CA 3.25Å; G349-L384 WeakPolarHBondContact O-CD2 3.36Å; M351-L384 HydrophobicContact CE-CB 4.46Å; M351-L384 HydrophobicContact CE-CD1 3.84Å; M351-L384 HydrophobicContact CE-CD2 4.2Å; M351-L384 HydrophobicContact CE-CG 4.41Å; L363-L384 HydrophobicContact CD1-CD1 4.16Å; L363-L384 HydrophobicContact CG-CD1 4.46Å; V366-L384 HydrophobicContact CB-CD2 4.47Å; L384-L386 PolarHBondContact O-N 2.65Å; L384-F608 HydrophobicContact CD1-CD1 4.33Å; L384-F608 HydrophobicContact CD1-CD2 3.52Å; L384-F608 HydrophobicContact CD1-CE1 4.16Å; L384-F608 HydrophobicContact CD1-CE2 3.33Å; L384-F608 HydrophobicContact CD1-CG 4.04Å; L384-F608 HydrophobicContact CD1-CZ 3.68Å; L384-F608 HydrophobicContact CD2-CD1 4.41Å; L384-F608 HydrophobicContact CD2-CE1 4.18Å; L384-F608 HydrophobicContact CD2-CZ 4.37Å; L384-F608 HydrophobicContact CG-CD1 4.07Å; L384-F608 HydrophobicContact CG-CD2 4Å; L384-F608 HydrophobicContact CG-CE1 4.18Å; L384-F608 HydrophobicContact CG-CE2 4.12Å; L384-F608 HydrophobicContact CG-CG 3.99Å; L384-F608 HydrophobicContact CG-CZ 4.2Å; L384-N610 PolarHBondContact N-OD1 3.41Å; L384-N610 PolarHBondContact O-ND2 3.07Å; L384-V611 HydrophobicContact CD1-CG2 4.4Å
385	D	97.6	Very high	95.5	Very high	33 Å²	33	30 Å²	30	18%	0.176	14%	0.141	C	C	.	.	S	Bend	trans	51.2	55.3	168.4	-69	-37.3	0	0	0	114.9	G349 M351 N352 V428	G349-D385 PolarHBondContact O-N 3.3Å; M351-D385 WeakPolarHBondContact CA-OD1 3.19Å; M351-D385 WeakPolarHBondContact CB-OD1 3.31Å; M351-D385 PolarHBondContact N-OD1 3.43Å; N352-D385 PolarHBondContact N-OD1 3.37Å; N352-D385 PolarHBondContact ND2-OD2 2.8Å; D385-V428 HydrophobicContact CB-CG1 4.17Å
386	L	97.8	Very high	95.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.129	C	C	.	.			trans	-86.7	136.6	-176.6	-61.4	-169.6	0	0	0	113.1	I348 N350 L383 L384 E390 M391 A394 V428 Q676	I348-L386 HydrophobicContact CD1-CD1 4.08Å; I348-L386 HydrophobicContact CG1-CD1 4.04Å; I348-L386 HydrophobicContact CG2-CD1 4.08Å; I348-L386 HydrophobicContact CG2-CG 4.34Å; N350-L386 PolarHBondContact OD1-N 2.7Å; L383-L386 HydrophobicContact CB-CD1 3.78Å; L383-L386 HydrophobicContact CB-CD2 4.07Å; L383-L386 HydrophobicContact CB-CG 4.07Å; L383-L386 HydrophobicContact CD1-CD1 3.81Å; L383-L386 HydrophobicContact CG-CD1 4.43Å; L384-L386 PolarHBondContact O-N 2.65Å; L386-E390 HydrophobicContact CB-CB 4.11Å; L386-E390 HydrophobicContact CD2-CB 4.07Å; L386-M391 HydrophobicContact CB-CB 4.49Å; L386-M391 HydrophobicContact CB-CG 3.41Å; L386-M391 VanDerWaalsContact CB-CG 3.41Å; L386-M391 HydrophobicContact CD1-CG 4.03Å; L386-M391 HydrophobicContact CG-CG 4.38Å; L386-A394 HydrophobicContact CD1-CB 4.15Å; L386-V428 PolarHBondContact O-N 3.34Å; L386-V428 VanDerWaalsContact O-N 3.14Å; L386-Q676 HydrophobicContact CD2-CG 3.87Å
387	T	96.9	Very high	94.9	Very high	12 Å²	12	28 Å²	28	7%	0.074	13%	0.134	C	C	.	.			trans	-72.3	166.3	166.9	62.9	0	0	0	0	112	Y389 E390 M391 D429	T387-Y389 VanDerWaalsContact C-N 3.27Å; T387-Y389 PolarHBondContact O-N 3.4Å; T387-E390 PolarHBondContact N-OE2 3.39Å; T387-E390 VanDerWaalsContact N-OE2 3.11Å; T387-E390 PolarHBondContact O-N 3.16Å; T387-E390 VanDerWaalsContact O-N 3.12Å; T387-E390 WeakPolarHBondContact OG1-CB 3.44Å; T387-E390 WeakPolarHBondContact OG1-CG 3.33Å; T387-E390 PolarHBondContact OG1-N 2.86Å; T387-E390 PolarHBondContact OG1-OE1 3.23Å; T387-E390 VanDerWaalsContact OG1-OE1 3.12Å; T387-E390 PolarHBondContact OG1-OE2 2.71Å; T387-M391 WeakPolarHBondContact O-CG 3.48Å; T387-M391 PolarHBondContact O-N 2.65Å; T387-D429 WeakPolarHBondContact CA-OD1 3.33Å; T387-D429 WeakPolarHBondContact CB-OD1 3.49Å; T387-D429 WeakPolarHBondContact CB-OD2 3.37Å; T387-D429 HydrophobicContact CG2-CB 4.14Å
388	E	97.1	Very high	94.8	Very high	49 Å²	49	23.1 Å²	23.1	23%	0.229	11%	0.108	C	C	.	.	H	α-helix	trans	-54.3	-45.6	178.2	-165.8	-152.1	133.7	0	0	111.8	M391 R392 P427 D429 N438 L440	E388-M391 PolarHBondContact O-N 2.81Å; E388-R392 WeakPolarHBondContact O-CG 3.21Å; E388-R392 PolarHBondContact O-N 3.32Å; E388-R392 IonicContact OE1-CZ 2.67Å; E388-R392 IonicContact OE1-NE 3.68Å; E388-R392 PolarHBondContact OE1-NE 3.46Å; E388-R392 IonicContact OE1-NH2 3.83Å; E388-R392 PolarHBondContact OE1-NH2 3.45Å; E388-P427 HydrophobicContact CB-CB 4.11Å; E388-P427 HydrophobicContact CB-CG 3.69Å; E388-P427 HydrophobicContact CG-CG 3.96Å; E388-P427 VanDerWaalsContact N-CB 3.3Å; E388-D429 PolarHBondContact N-OD1 2.97Å; E388-N438 WeakPolarHBondContact OE2-CA 3.49Å; E388-L440 HydrophobicContact CG-CD1 4.16Å
389	Y	94	Very high	94.6	Very high	99 Å²	99	23.3 Å²	23.3	39%	0.388	11%	0.109	S	C	.	.	H	α-helix	trans	-61.8	-46.3	177	178.3	-100.4	0	0	0	111.7	T387 R392 N393 M717 H718	T387-Y389 VanDerWaalsContact C-N 3.27Å; T387-Y389 PolarHBondContact O-N 3.4Å; Y389-R392 PolarHBondContact O-N 3.49Å; Y389-N393 WeakPolarHBondContact CD1-ND2 3.33Å; Y389-N393 WeakPolarHBondContact CE1-ND2 3.31Å; Y389-N393 VanDerWaalsContact O-CG 3.28Å; Y389-N393 PolarHBondContact O-N 2.86Å; Y389-N393 VanDerWaalsContact O-N 3.1Å; Y389-N393 PolarHBondContact O-ND2 3.15Å; Y389-N393 VanDerWaalsContact O-ND2 3.09Å; Y389-N393 PolarHBondContact OH-ND2 3.48Å; Y389-M717 PolarHBondContact OH-O 2.96Å; Y389-M717 VanDerWaalsContact OH-O 3.05Å; Y389-H718 AromaticContact CE1-CE1 3.76Å; Y389-H718 PolarHBondContact OH-O 3.28Å
390	E	95.6	Very high	94.4	Very high	11 Å²	11	25.9 Å²	25.9	5%	0.051	12%	0.123	C	C	.	.	H	α-helix	trans	-65.8	-40.3	179.2	-68.9	156.6	-156	0	0	112.1	L386 T387 N393 A394 Q676 K677 M717	L386-E390 HydrophobicContact CB-CB 4.11Å; L386-E390 HydrophobicContact CD2-CB 4.07Å; T387-E390 PolarHBondContact N-OE2 3.39Å; T387-E390 VanDerWaalsContact N-OE2 3.11Å; T387-E390 PolarHBondContact O-N 3.16Å; T387-E390 VanDerWaalsContact O-N 3.12Å; T387-E390 WeakPolarHBondContact OG1-CB 3.44Å; T387-E390 WeakPolarHBondContact OG1-CG 3.33Å; T387-E390 PolarHBondContact OG1-N 2.86Å; T387-E390 PolarHBondContact OG1-OE1 3.23Å; T387-E390 VanDerWaalsContact OG1-OE1 3.12Å; T387-E390 PolarHBondContact OG1-OE2 2.71Å; E390-N393 PolarHBondContact O-N 2.98Å; E390-A394 WeakPolarHBondContact O-CB 3.21Å; E390-A394 PolarHBondContact O-N 2.87Å; E390-Q676 HydrophobicContact CB-CG 4.28Å; E390-Q676 HydrophobicContact CG-CG 3.8Å; E390-Q676 WeakPolarHBondContact OE2-CG 3.38Å; E390-Q676 PolarHBondContact OE2-NE2 2.88Å; E390-K677 VanDerWaalsContact CD-NZ 3.3Å; E390-K677 IonicContact OE1-NZ 3.67Å; E390-K677 PolarHBondContact OE1-NZ 3.33Å; E390-K677 IonicContact OE2-NZ 3.8Å; E390-K677 PolarHBondContact OE2-NZ 3.19Å; E390-K677 VanDerWaalsContact OE2-NZ 3.11Å; E390-M717 WeakPolarHBondContact O-CE 3.36Å
391	M	97.3	Very high	94.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.4	-42.6	174.8	-72	-172.1	71	0	0	111.8	I348 N350 L386 T387 E388 A394 V395 Y412 M425 P427 L440	I348-M391 HydrophobicContact CD1-CE 4.11Å; I348-M391 HydrophobicContact CD1-CG 4.5Å; I348-M391 HydrophobicContact CG2-CE 4.23Å; N350-M391 PolarHBondContact ND2-SD 3.16Å; N350-M391 VanDerWaalsContact ND2-SD 3.35Å; L386-M391 HydrophobicContact CB-CB 4.49Å; L386-M391 HydrophobicContact CB-CG 3.41Å; L386-M391 VanDerWaalsContact CB-CG 3.41Å; L386-M391 HydrophobicContact CD1-CG 4.03Å; L386-M391 HydrophobicContact CG-CG 4.38Å; T387-M391 WeakPolarHBondContact O-CG 3.48Å; T387-M391 PolarHBondContact O-N 2.65Å; E388-M391 PolarHBondContact O-N 2.81Å; M391-A394 PolarHBondContact O-N 3.09Å; M391-V395 WeakPolarHBondContact O-CG2 3.47Å; M391-V395 PolarHBondContact O-N 3.37Å; M391-Y412 HydrophobicContact CE-CD2 4.09Å; M391-Y412 HydrophobicContact CE-CE2 3.81Å; M391-M425 HydrophobicContact CE-CB 3.85Å; M391-M425 HydrophobicContact CE-CE 4.13Å; M391-M425 HydrophobicContact CE-SD 4.39Å; M391-P427 HydrophobicContact SD-CB 3.95Å; M391-P427 HydrophobicContact SD-CG 3.86Å; M391-L440 HydrophobicContact CB-CD1 3.67Å; M391-L440 HydrophobicContact CB-CD2 3.74Å; M391-L440 HydrophobicContact CB-CG 4.38Å; M391-L440 HydrophobicContact CE-CD1 4.32Å; M391-L440 HydrophobicContact CE-CD2 4.46Å; M391-L440 HydrophobicContact CG-CD1 4.5Å; M391-L440 HydrophobicContact SD-CD1 4.16Å
392	R	95.1	Very high	93.9	Very high	86 Å²	86	25.8 Å²	25.8	33%	0.325	12%	0.122	S	C	.	.	H	α-helix	trans	-61.9	-47.5	177.3	-72.3	-179.3	-167.8	-64.4	-3.9	111.2	E388 Y389 A394 V395 D396 E437 C439 L440	E388-R392 WeakPolarHBondContact O-CG 3.21Å; E388-R392 PolarHBondContact O-N 3.32Å; E388-R392 IonicContact OE1-CZ 2.67Å; E388-R392 IonicContact OE1-NE 3.68Å; E388-R392 PolarHBondContact OE1-NE 3.46Å; E388-R392 IonicContact OE1-NH2 3.83Å; E388-R392 PolarHBondContact OE1-NH2 3.45Å; Y389-R392 PolarHBondContact O-N 3.49Å; R392-A394 PolarHBondContact O-N 3.48Å; R392-V395 PolarHBondContact O-N 3.21Å; R392-D396 PolarHBondContact O-N 3.26Å; R392-E437 PolarHBondContact NH2-O 2.88Å; R392-C439 PolarHBondContact NH2-O 3.32Å; R392-L440 HydrophobicContact CG-CD1 4.24Å; R392-L440 HydrophobicContact CG-CD2 4.14Å; R392-L440 HydrophobicContact CG-CG 4.18Å
393	N	92.2	Very high	93.7	Very high	23 Å²	23	27.5 Å²	27.5	12%	0.123	13%	0.131	C	C	.	.	H	α-helix	trans	-66.5	-35.7	178.7	-59.9	-31.1	0	0	0	112.7	Y389 E390 V395 D396 E397 M717	Y389-N393 WeakPolarHBondContact CD1-ND2 3.33Å; Y389-N393 WeakPolarHBondContact CE1-ND2 3.31Å; Y389-N393 VanDerWaalsContact O-CG 3.28Å; Y389-N393 PolarHBondContact O-N 2.86Å; Y389-N393 VanDerWaalsContact O-N 3.1Å; Y389-N393 PolarHBondContact O-ND2 3.15Å; Y389-N393 VanDerWaalsContact O-ND2 3.09Å; Y389-N393 PolarHBondContact OH-ND2 3.48Å; E390-N393 PolarHBondContact O-N 2.98Å; N393-V395 VanDerWaalsContact C-N 3.32Å; N393-V395 PolarHBondContact O-N 2.71Å; N393-D396 PolarHBondContact O-N 2.96Å; N393-E397 PolarHBondContact O-N 3.45Å; N393-M717 HydrophobicContact CB-CB 4.3Å; N393-M717 HydrophobicContact CB-CE 3.78Å; N393-M717 PolarHBondContact ND2-O 3.04Å
394	A	93.1	Very high	93.5	Very high	5 Å²	5	33.3 Å²	33.3	4%	0.041	16%	0.157	C	C	.	.	H	α-helix	trans	-62.7	-40.8	174.5	0	0	0	0	0	111.6	L346 L383 L386 E390 M391 R392 F398 M717	L346-A394 HydrophobicContact CD1-CB 4.33Å; L346-A394 HydrophobicContact CD2-CB 4.32Å; L383-A394 HydrophobicContact CD1-CB 3.58Å; L386-A394 HydrophobicContact CD1-CB 4.15Å; E390-A394 WeakPolarHBondContact O-CB 3.21Å; E390-A394 PolarHBondContact O-N 2.87Å; M391-A394 PolarHBondContact O-N 3.09Å; R392-A394 PolarHBondContact O-N 3.48Å; A394-F398 WeakPolarHBondContact O-CB 3.43Å; A394-F398 PolarHBondContact O-N 2.94Å; A394-M717 HydrophobicContact CB-CE 3.91Å
395	V	95.5	Very high	93.2	Very high	6 Å²	6	34.1 Å²	34.1	4%	0.036	17%	0.166	C	C	.	.	H	α-helix	trans	-66.6	-41.6	173.9	169.1	0	0	0	0	111.3	L346 M391 R392 N393 F398 L399 L440 I445	L346-V395 HydrophobicContact CD2-CG2 3.99Å; M391-V395 WeakPolarHBondContact O-CG2 3.47Å; M391-V395 PolarHBondContact O-N 3.37Å; R392-V395 PolarHBondContact O-N 3.21Å; N393-V395 VanDerWaalsContact C-N 3.32Å; N393-V395 PolarHBondContact O-N 2.71Å; V395-F398 WeakPolarHBondContact O-CB 3.31Å; V395-F398 PolarHBondContact O-N 2.92Å; V395-L399 HydrophobicContact CG1-CD1 3.86Å; V395-L399 HydrophobicContact CG1-CG 4.29Å; V395-L399 WeakPolarHBondContact O-CB 3.44Å; V395-L399 VanDerWaalsContact O-CG 3.22Å; V395-L399 WeakPolarHBondContact O-CG 3.38Å; V395-L399 PolarHBondContact O-N 3.11Å; V395-L440 HydrophobicContact CG2-CD2 4.08Å; V395-I445 HydrophobicContact CG1-CB 4.49Å; V395-I445 HydrophobicContact CG1-CD1 4.07Å; V395-I445 HydrophobicContact CG1-CG1 3.99Å; V395-I445 HydrophobicContact CG1-CG2 3.84Å; V395-I445 HydrophobicContact CG2-CD1 3.86Å
396	D	90.5	Very high	93	Very high	60 Å²	60	32.6 Å²	32.6	32%	0.321	16%	0.158	S	C	.	.	H	α-helix	trans	-62.9	-45.8	177.4	-73.5	-22.3	0	0	0	111.7	R392 N393 F398 L399 L400	R392-D396 PolarHBondContact O-N 3.26Å; N393-D396 PolarHBondContact O-N 2.96Å; D396-F398 PolarHBondContact O-N 3.13Å; D396-L399 PolarHBondContact O-N 3.22Å; D396-L400 WeakPolarHBondContact O-CG 3.39Å; D396-L400 PolarHBondContact O-N 3Å
397	E	87.7	Confident	93.1	Very high	36 Å²	36	32.6 Å²	32.6	17%	0.168	16%	0.158	C	C	.	.	H	α-helix	trans	-62.6	-40	174.1	-73.5	-60.8	135.1	0	0	112.2	N393 L400 L401 L715	N393-E397 PolarHBondContact O-N 3.45Å; E397-L400 WeakPolarHBondContact O-CB 3.16Å; E397-L400 PolarHBondContact O-N 2.91Å; E397-L401 PolarHBondContact O-N 2.86Å; E397-L715 HydrophobicContact CB-CD1 4.34Å; E397-L715 HydrophobicContact CG-CD1 4.09Å
398	F	92.7	Very high	93.1	Very high	6 Å²	6	32.1 Å²	32.1	3%	0.026	16%	0.155	C	C	.	.	H	α-helix	trans	-60.2	-45	172	168.4	-111.8	0	0	0	111.9	V344 L346 A394 V395 D396 L400 L401 L402 M449	V344-F398 HydrophobicContact CG1-CD2 3.93Å; V344-F398 HydrophobicContact CG1-CE2 4.01Å; L346-F398 HydrophobicContact CB-CB 4.04Å; L346-F398 HydrophobicContact CB-CD1 4.33Å; L346-F398 HydrophobicContact CB-CD2 3.69Å; L346-F398 HydrophobicContact CB-CE2 4.16Å; L346-F398 HydrophobicContact CB-CG 3.77Å; L346-F398 HydrophobicContact CD2-CB 3.79Å; L346-F398 HydrophobicContact CD2-CD1 4.37Å; L346-F398 HydrophobicContact CD2-CG 4.13Å; L346-F398 HydrophobicContact CG-CB 4.47Å; A394-F398 WeakPolarHBondContact O-CB 3.43Å; A394-F398 PolarHBondContact O-N 2.94Å; V395-F398 WeakPolarHBondContact O-CB 3.31Å; V395-F398 PolarHBondContact O-N 2.92Å; D396-F398 PolarHBondContact O-N 3.13Å; F398-L400 VanDerWaalsContact C-N 3.26Å; F398-L400 PolarHBondContact O-N 2.95Å; F398-L401 WeakPolarHBondContact O-CB 3.36Å; F398-L401 PolarHBondContact O-N 2.96Å; F398-L402 HydrophobicContact CD1-CD1 4.28Å; F398-L402 HydrophobicContact CE1-CD1 3.81Å; F398-L402 HydrophobicContact CE2-CD1 4.44Å; F398-L402 HydrophobicContact CE2-CD2 4.19Å; F398-L402 HydrophobicContact CE2-CG 4.49Å; F398-L402 HydrophobicContact CZ-CD1 3.91Å; F398-L402 HydrophobicContact CZ-CD2 4.27Å; F398-L402 HydrophobicContact CZ-CG 4.42Å; F398-L402 WeakPolarHBondContact O-CG 3.44Å; F398-L402 PolarHBondContact O-N 2.81Å; F398-M449 HydrophobicContact CE1-CE 3.84Å; F398-M449 HydrophobicContact CE1-CG 4.43Å; F398-M449 HydrophobicContact CE1-SD 3.89Å; F398-M449 HydrophobicContact CZ-CE 3.77Å; F398-M449 HydrophobicContact CZ-SD 4.42Å
399	L	92.1	Very high	93.2	Very high	12 Å²	12	29.8 Å²	29.8	6%	0.063	15%	0.145	C	C	.	.	H	α-helix	trans	-64.3	-26.7	176.6	-70.8	168	0	0	0	112.8	V395 D396 L401 L402 L448 M449 K452	V395-L399 HydrophobicContact CG1-CD1 3.86Å; V395-L399 HydrophobicContact CG1-CG 4.29Å; V395-L399 WeakPolarHBondContact O-CB 3.44Å; V395-L399 VanDerWaalsContact O-CG 3.22Å; V395-L399 WeakPolarHBondContact O-CG 3.38Å; V395-L399 PolarHBondContact O-N 3.11Å; D396-L399 PolarHBondContact O-N 3.22Å; L399-L401 VanDerWaalsContact C-N 3.34Å; L399-L402 HydrophobicContact CD2-CD1 4.21Å; L399-L402 PolarHBondContact O-N 2.83Å; L399-L448 HydrophobicContact CD1-CB 3.74Å; L399-L448 HydrophobicContact CD1-CD1 3.74Å; L399-L448 HydrophobicContact CD1-CG 4.34Å; L399-L448 HydrophobicContact CD2-CB 3.75Å; L399-L448 HydrophobicContact CG-CB 4.42Å; L399-M449 HydrophobicContact CD2-CB 4.5Å; L399-M449 HydrophobicContact CD2-CG 3.68Å; L399-K452 WeakPolarHBondContact O-CE 3.42Å; L399-K452 PolarHBondContact O-NZ 3.34Å
400	L	88.3	Confident	93.4	Very high	80 Å²	80	25.1 Å²	25.1	42%	0.419	13%	0.126	S	C	.	.	H	α-helix	trans	-69.5	-30.3	172	-69.5	177.6	0	0	0	112.7	D396 E397 F398 L402	D396-L400 WeakPolarHBondContact O-CG 3.39Å; D396-L400 PolarHBondContact O-N 3Å; E397-L400 WeakPolarHBondContact O-CB 3.16Å; E397-L400 PolarHBondContact O-N 2.91Å; F398-L400 VanDerWaalsContact C-N 3.26Å; F398-L400 PolarHBondContact O-N 2.95Å; L400-L402 VanDerWaalsContact C-N 3.32Å
401	L	87.6	Confident	93.6	Very high	11 Å²	11	24.6 Å²	24.6	6%	0.058	12%	0.124	C	C	.	.	H	α-helix	trans	-79.8	-11.1	175.8	-62.4	176.1	0	0	0	113.6	V344 E397 F398 L399 R576 Q579	V344-L401 HydrophobicContact CG1-CB 3.91Å; V344-L401 HydrophobicContact CG1-CD1 3.97Å; V344-L401 HydrophobicContact CG2-CB 4.36Å; E397-L401 PolarHBondContact O-N 2.86Å; F398-L401 WeakPolarHBondContact O-CB 3.36Å; F398-L401 PolarHBondContact O-N 2.96Å; L399-L401 VanDerWaalsContact C-N 3.34Å; L401-R576 HydrophobicContact CD2-CB 4.13Å; L401-R576 HydrophobicContact CD2-CG 4.11Å; L401-R576 WeakPolarHBondContact O-CD 3.34Å; L401-Q579 HydrophobicContact CD2-CB 3.94Å
402	L	91.3	Very high	93.7	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.021	12%	0.124	C	C	.	.			trans	-90.2	141.6	178	-61.3	179.3	0	0	0	112.5	V344 F398 L399 L400 V406 M449 K452 T454	V344-L402 HydrophobicContact CB-CD2 4.28Å; F398-L402 HydrophobicContact CD1-CD1 4.28Å; F398-L402 HydrophobicContact CE1-CD1 3.81Å; F398-L402 HydrophobicContact CE2-CD1 4.44Å; F398-L402 HydrophobicContact CE2-CD2 4.19Å; F398-L402 HydrophobicContact CE2-CG 4.49Å; F398-L402 HydrophobicContact CZ-CD1 3.91Å; F398-L402 HydrophobicContact CZ-CD2 4.27Å; F398-L402 HydrophobicContact CZ-CG 4.42Å; F398-L402 WeakPolarHBondContact O-CG 3.44Å; F398-L402 PolarHBondContact O-N 2.81Å; L399-L402 HydrophobicContact CD2-CD1 4.21Å; L399-L402 PolarHBondContact O-N 2.83Å; L400-L402 VanDerWaalsContact C-N 3.32Å; L402-V406 HydrophobicContact CD2-CG1 3.75Å; L402-M449 HydrophobicContact CD1-CB 4.16Å; L402-M449 HydrophobicContact CD1-CE 3.69Å; L402-M449 HydrophobicContact CD1-CG 3.6Å; L402-M449 HydrophobicContact CD1-SD 4.31Å; L402-K452 HydrophobicContact CB-CB 4.01Å; L402-K452 HydrophobicContact CB-CG 4.06Å; L402-T454 HydrophobicContact CB-CG2 3.95Å; L402-T454 HydrophobicContact CD1-CG2 4.04Å; L402-T454 HydrophobicContact CD2-CG2 4.14Å; L402-T454 HydrophobicContact CG-CG2 4.26Å
403	D	90.7	Very high	93.8	Very high	38 Å²	38	20.6 Å²	20.6	20%	0.203	11%	0.109	C	C	.	.			trans	-160.2	173.7	-172.1	-176.4	16.6	0	0	0	109.4	K341 G405 V406 K452 R576	K341-D403 IonicContact NZ-OD1 3.52Å; K341-D403 IonicContact NZ-OD2 2.62Å; K341-D403 PolarHBondContact NZ-OD2 2.94Å; D403-G405 PolarHBondContact O-N 3.3Å; D403-V406 HydrophobicContact CB-CG2 3.9Å; D403-V406 VanDerWaalsContact O-CB 3.24Å; D403-V406 WeakPolarHBondContact O-CB 3.04Å; D403-V406 VanDerWaalsContact O-CG2 3.31Å; D403-V406 WeakPolarHBondContact O-CG2 3.2Å; D403-V406 PolarHBondContact O-N 2.85Å; D403-K452 CarbonylContact C-O 3.57Å; D403-K452 WeakPolarHBondContact CA-O 3.33Å; D403-R576 IonicContact OD2-CZ 2.7Å; D403-R576 IonicContact OD2-NH1 3.85Å; D403-R576 PolarHBondContact OD2-NH1 3.18Å; D403-R576 IonicContact OD2-NH2 3.03Å; D403-R576 PolarHBondContact OD2-NH2 2.89Å
404	K	92.6	Very high	94	Very high	123 Å²	123	19.9 Å²	19.9	54%	0.535	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	122.5	-173.6	-175.6	168.7	-173.3	139.1	0	112.2	K341 V406 K452 E453	K341-K404 WeakPolarHBondContact CD-O 3.29Å; K404-V406 VanDerWaalsContact C-N 3.25Å; K404-V406 PolarHBondContact O-N 2.8Å; K404-K452 PolarHBondContact N-O 3.12Å; K404-K452 VanDerWaalsContact N-O 3.1Å; K404-E453 CarbonylContact C-O 3.51Å; K404-E453 VanDerWaalsContact CA-O 3.28Å; K404-E453 WeakPolarHBondContact CA-O 3.34Å; K404-E453 HydrophobicContact CB-CB 4.05Å; K404-E453 HydrophobicContact CD-CB 4.5Å; K404-E453 WeakPolarHBondContact CD-OE2 3.48Å; K404-E453 VanDerWaalsContact CE-OE2 3.31Å; K404-E453 WeakPolarHBondContact CE-OE2 3.24Å; K404-E453 HydrophobicContact CG-CB 3.97Å; K404-E453 IonicContact NZ-OE2 3.14Å; K404-E453 PolarHBondContact NZ-OE2 3.42Å
405	G	90.9	Very high	94.2	Very high	23 Å²	23	21.3 Å²	21.3	24%	0.237	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	2.2	179.7	0	0	0	0	0	115.6	K341 D403 E453	K341-G405 PolarHBondContact N-O 2.88Å; D403-G405 PolarHBondContact O-N 3.3Å; G405-E453 PolarHBondContact N-O 2.82Å
406	V	95.1	Very high	94.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.114	C	C	.	.			trans	-71.8	140.9	171.6	175.1	0	0	0	0	110.1	K341 D342 V344 L402 D403 K404 T454 G455	K341-V406 HydrophobicContact CB-CG2 4.28Å; D342-V406 HydrophobicContact CB-CB 4.35Å; D342-V406 HydrophobicContact CB-CG1 4.01Å; D342-V406 HydrophobicContact CB-CG2 3.73Å; V344-V406 HydrophobicContact CB-CG1 4.41Å; V344-V406 HydrophobicContact CG2-CG1 3.89Å; L402-V406 HydrophobicContact CD2-CG1 3.75Å; D403-V406 HydrophobicContact CB-CG2 3.9Å; D403-V406 VanDerWaalsContact O-CB 3.24Å; D403-V406 WeakPolarHBondContact O-CB 3.04Å; D403-V406 VanDerWaalsContact O-CG2 3.31Å; D403-V406 WeakPolarHBondContact O-CG2 3.2Å; D403-V406 PolarHBondContact O-N 2.85Å; K404-V406 VanDerWaalsContact C-N 3.25Å; K404-V406 PolarHBondContact O-N 2.8Å; V406-T454 CarbonylContact O-C 3.55Å; V406-T454 WeakPolarHBondContact O-CA 3.24Å; V406-T454 WeakPolarHBondContact O-CB 3.21Å; V406-G455 PolarHBondContact O-N 2.9Å
407	Y	98.3	Very high	94.5	Very high	1 Å²	1	18.7 Å²	18.7	0%	0.004	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	114	171.9	-71.1	13.7	0	0	0	108.5	A340 D342 K343 V344 L456 R558 A559 D562	A340-Y407 HydrophobicContact CB-CD1 3.69Å; A340-Y407 HydrophobicContact CB-CD2 3.92Å; A340-Y407 HydrophobicContact CB-CE1 3.74Å; A340-Y407 HydrophobicContact CB-CE2 3.98Å; A340-Y407 HydrophobicContact CB-CG 3.78Å; D342-Y407 PolarHBondContact O-N 3.04Å; K343-Y407 HydrophobicContact CD-CD2 4.48Å; K343-Y407 HydrophobicContact CG-CD2 4.47Å; V344-Y407 PolarHBondContact N-O 3.19Å; Y407-L456 HydrophobicContact CD1-CB 3.54Å; Y407-L456 HydrophobicContact CD2-CB 4.01Å; Y407-L456 HydrophobicContact CD2-CD2 3.68Å; Y407-L456 HydrophobicContact CD2-CG 4.49Å; Y407-L456 HydrophobicContact CE1-CB 3.89Å; Y407-L456 HydrophobicContact CE2-CB 4.31Å; Y407-L456 HydrophobicContact CE2-CD2 3.92Å; Y407-L456 HydrophobicContact CG-CB 3.61Å; Y407-L456 HydrophobicContact CG-CD2 4.12Å; Y407-L456 HydrophobicContact CG-CG 4.48Å; Y407-R558 HydrophobicContact CE2-CB 4.36Å; Y407-R558 WeakPolarHBondContact OH-CD 3.27Å; Y407-R558 VanDerWaalsContact OH-CG 3.29Å; Y407-R558 WeakPolarHBondContact OH-CG 3.43Å; Y407-R558 PolarHBondContact OH-NH1 2.75Å; Y407-A559 WeakPolarHBondContact CE2-O 3.4Å; Y407-D562 HydrophobicContact CE2-CB 3.79Å; Y407-D562 VanDerWaalsContact CE2-OD2 3.25Å; Y407-D562 WeakPolarHBondContact CE2-OD2 3.43Å; Y407-D562 VanDerWaalsContact CZ-OD2 3.3Å; Y407-D562 PolarHBondContact OH-OD2 2.8Å
408	G	98.2	Very high	94.7	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.01	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	126.7	177.3	0	0	0	0	0	111.4	V344 L456 V458	V344-G408 WeakPolarHBondContact O-CA 3.43Å; G408-L456 PolarHBondContact N-O 3.46Å; G408-V458 PolarHBondContact O-N 2.87Å
409	L	98.8	Very high	94.6	Very high	1 Å²	1	17 Å²	17	1%	0.005	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.5	174.6	-173.3	151.6	0	0	0	110.8	V344 A345 L346 L347 L373 F378 V458 L460 L560	V344-L409 PolarHBondContact O-N 2.95Å; A345-L409 CarbonylContact C-O 3.59Å; A345-L409 WeakPolarHBondContact CA-O 3.25Å; A345-L409 HydrophobicContact CB-CB 4.12Å; A345-L409 HydrophobicContact CB-CD2 4.17Å; L346-L409 PolarHBondContact N-O 3.45Å; L347-L409 HydrophobicContact CD1-CD2 4.18Å; L373-L409 HydrophobicContact CD1-CD1 4.47Å; L373-L409 HydrophobicContact CD1-CD2 3.96Å; L373-L409 HydrophobicContact CD2-CD1 4.08Å; F378-L409 HydrophobicContact CE1-CB 4.18Å; L409-V458 CarbonylContact C-O 3.48Å; L409-V458 WeakPolarHBondContact CA-O 3.31Å; L409-V458 HydrophobicContact CB-CB 4.29Å; L409-V458 HydrophobicContact CD1-CB 4.11Å; L409-V458 HydrophobicContact CD1-CG1 4.09Å; L409-V458 HydrophobicContact CG-CB 4.02Å; L409-V458 HydrophobicContact CG-CG1 4.26Å; L409-L460 HydrophobicContact CD1-CD1 4.32Å; L409-L560 HydrophobicContact CD1-CD1 4.46Å; L409-L560 HydrophobicContact CD1-CD2 4.23Å
410	L	98.8	Very high	94.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	122.7	167.9	-176.1	69.9	0	0	0	109	L346 M425 I445 V458 F459 L460	L346-L410 HydrophobicContact CB-CD1 3.91Å; L346-L410 HydrophobicContact CD2-CD1 3.78Å; L346-L410 HydrophobicContact CG-CD1 3.82Å; L346-L410 WeakPolarHBondContact O-CA 3.46Å; L410-M425 HydrophobicContact CD2-CE 4.27Å; L410-M425 HydrophobicContact CD2-SD 4.27Å; L410-I445 HydrophobicContact CD2-CD1 4Å; L410-V458 PolarHBondContact N-O 2.67Å; L410-F459 HydrophobicContact CB-CD1 3.89Å; L410-F459 HydrophobicContact CB-CE1 4.01Å; L410-F459 HydrophobicContact CD2-CD1 3.82Å; L410-F459 HydrophobicContact CD2-CE1 3.65Å; L410-F459 HydrophobicContact CG-CD1 4.39Å; L410-F459 HydrophobicContact CG-CE1 4.47Å; L410-F459 WeakPolarHBondContact O-CA 3.39Å; L410-L460 PolarHBondContact O-N 3.16Å
411	Y	98.9	Very high	94.1	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	135.2	167.1	173.3	-99	0	0	0	110	L346 L347 I348 D365 V366 L369 A413 L460 D462 F511 M512	L346-Y411 PolarHBondContact O-N 2.99Å; L347-Y411 WeakPolarHBondContact CA-O 3.17Å; L347-Y411 HydrophobicContact CB-CD1 4.45Å; L347-Y411 HydrophobicContact CG-CD1 4.09Å; L347-Y411 HydrophobicContact CG-CG 4.43Å; I348-Y411 PolarHBondContact N-O 2.97Å; D365-Y411 WeakPolarHBondContact CB-OH 3.26Å; V366-Y411 HydrophobicContact CG2-CD1 4.16Å; V366-Y411 HydrophobicContact CG2-CE1 3.85Å; L369-Y411 HydrophobicContact CD2-CD1 3.59Å; L369-Y411 HydrophobicContact CD2-CD2 3.6Å; L369-Y411 HydrophobicContact CD2-CE1 4.14Å; L369-Y411 HydrophobicContact CD2-CE2 4.17Å; L369-Y411 HydrophobicContact CD2-CG 3.27Å; Y411-A413 HydrophobicContact CE1-CB 3.77Å; Y411-L460 WeakPolarHBondContact CA-O 3.36Å; Y411-L460 HydrophobicContact CD2-CB 3.68Å; Y411-L460 WeakPolarHBondContact CD2-O 3.12Å; Y411-D462 HydrophobicContact CE2-CB 3.87Å; Y411-D462 PolarHBondContact OH-OD2 3.23Å; Y411-F511 HydrophobicContact CE2-CD1 4.41Å; Y411-F511 HydrophobicContact CE2-CE1 4.25Å; Y411-M512 HydrophobicContact CD2-CE 4.44Å; Y411-M512 HydrophobicContact CE1-CE 4.29Å; Y411-M512 HydrophobicContact CE2-CE 3.68Å
412	Y	98.8	Very high	94.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	127.2	176.3	174.2	-98.3	0	0	0	110.4	I348 N350 Y353 M391 H415 M425 V426 L460 D462 M463	I348-Y412 HydrophobicContact CB-CD2 4.06Å; I348-Y412 HydrophobicContact CG2-CD2 4Å; I348-Y412 HydrophobicContact CG2-CE2 4.16Å; I348-Y412 WeakPolarHBondContact O-CA 3.45Å; N350-Y412 HydrophobicContact CB-CE2 4.4Å; Y353-Y412 PolarHBondContact OH-OH 3.36Å; M391-Y412 HydrophobicContact CE-CD2 4.09Å; M391-Y412 HydrophobicContact CE-CE2 3.81Å; Y412-H415 VanDerWaalsContact CE1-O 3.31Å; Y412-H415 WeakPolarHBondContact CE1-O 3.45Å; Y412-H415 PolarHBondContact OH-O 3.41Å; Y412-M425 VanDerWaalsContact CB-SD 3.57Å; Y412-M425 HydrophobicContact CD1-CB 4.1Å; Y412-M425 HydrophobicContact CD1-CG 3.7Å; Y412-M425 HydrophobicContact CD1-SD 4.12Å; Y412-M425 HydrophobicContact CD2-CB 4.08Å; Y412-M425 HydrophobicContact CD2-CG 4.06Å; Y412-M425 HydrophobicContact CD2-SD 3.74Å; Y412-M425 HydrophobicContact CE1-CB 3.89Å; Y412-M425 HydrophobicContact CE1-CG 4Å; Y412-M425 HydrophobicContact CE2-CB 3.9Å; Y412-M425 HydrophobicContact CE2-CG 4.36Å; Y412-M425 HydrophobicContact CG-CB 4.18Å; Y412-M425 HydrophobicContact CG-CG 3.72Å; Y412-M425 HydrophobicContact CG-SD 3.52Å; Y412-M425 VanDerWaalsContact CG-SD 3.52Å; Y412-V426 PolarHBondContact OH-N 2.83Å; Y412-V426 PolarHBondContact OH-O 2.73Å; Y412-L460 PolarHBondContact N-O 3.21Å; Y412-D462 WeakPolarHBondContact O-CA 3.41Å; Y412-D462 WeakPolarHBondContact O-CB 3.2Å; Y412-D462 PolarHBondContact O-N 2.95Å; Y412-M463 HydrophobicContact CD1-CB 4.12Å; Y412-M463 HydrophobicContact CD1-CG 4.32Å; Y412-M463 HydrophobicContact CD1-SD 3.57Å; Y412-M463 VanDerWaalsContact CD1-SD 3.57Å; Y412-M463 HydrophobicContact CE1-CB 3.97Å; Y412-M463 HydrophobicContact CE1-CG 4.44Å; Y412-M463 HydrophobicContact CE1-SD 3.69Å
413	A	98.1	Very high	94.5	Very high	2 Å²	2	19 Å²	19	2%	0.017	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	120.2	172	0	0	0	0	0	110.1	I348 G349 N350 P362 Y411 D462	I348-A413 PolarHBondContact O-N 2.94Å; G349-A413 WeakPolarHBondContact CA-O 3.47Å; N350-A413 PolarHBondContact N-O 2.91Å; P362-A413 HydrophobicContact CB-CB 3.77Å; P362-A413 HydrophobicContact CG-CB 4Å; Y411-A413 HydrophobicContact CE1-CB 3.77Å; A413-D462 WeakPolarHBondContact CA-O 3.39Å; A413-D462 HydrophobicContact CB-CB 4.2Å
414	G	96.6	Very high	94.8	Very high	8 Å²	8	17.4 Å²	17.4	8%	0.082	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.8	-166.8	-176.7	0	0	0	0	0	114.4	Y353 D462 M463	Y353-G414 WeakPolarHBondContact OH-CA 3.44Å; G414-D462 PolarHBondContact N-O 3.09Å; G414-M463 WeakPolarHBondContact O-CA 3.35Å; G414-M463 WeakPolarHBondContact O-CB 3.2Å
415	H	96.8	Very high	95.1	Very high	35 Å²	35	11.6 Å²	11.6	16%	0.162	7%	0.069	C	C	.	.			trans	-68.5	142.6	169.8	-73.9	-46.3	0	0	0	110.4	Y353 P357 Y412 V426	Y353-H415 AromaticContact CD1-CD2 3.86Å; Y353-H415 AromaticContact CD2-CD2 3.48Å; Y353-H415 VanDerWaalsContact CD2-CD2 3.48Å; Y353-H415 WeakPolarHBondContact CD2-CD2 3.32Å; Y353-H415 AromaticContact CD2-NE2 3.87Å; Y353-H415 HydrophobicContact CE1-CB 4.01Å; Y353-H415 AromaticContact CE1-CD2 3.7Å; Y353-H415 AromaticContact CE2-CD2 3.34Å; Y353-H415 WeakPolarHBondContact CE2-CD2 3.41Å; Y353-H415 AromaticContact CE2-NE2 3.92Å; Y353-H415 AromaticContact CG-CD2 3.77Å; Y353-H415 AromaticContact CZ-CD2 3.47Å; Y353-H415 VanDerWaalsContact CZ-CD2 3.47Å; Y353-H415 AromaticContact CZ-CG 3.97Å; Y353-H415 PolarHBondContact OH-N 3.44Å; P357-H415 PolarHBondContact O-NE2 3.41Å; Y412-H415 VanDerWaalsContact CE1-O 3.31Å; Y412-H415 WeakPolarHBondContact CE1-O 3.45Å; Y412-H415 PolarHBondContact OH-O 3.41Å; H415-V426 HydrophobicContact CB-CB 3.95Å; H415-V426 HydrophobicContact CB-CG1 4.42Å; H415-V426 HydrophobicContact CB-CG2 4.3Å; H415-V426 WeakPolarHBondContact O-CB 3.41Å; H415-V426 PolarHBondContact O-N 2.82Å; H415-V426 VanDerWaalsContact O-N 3.09Å
416	G	96.3	Very high	95.5	Very high	7 Å²	7	10.5 Å²	10.5	7%	0.072	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	163.3	-178.8	0	0	0	0	0	111	F424 C464	G416-F424 WeakPolarHBondContact CA-O 3.05Å; G416-C464 CarbonylContact C-O 3.45Å; G416-C464 CarbonylContact O-C 3.32Å
417	Y	95.4	Very high	95.6	Very high	4 Å²	4	10.5 Å²	10.5	2%	0.016	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	165.8	174.3	69.4	-84.2	0	0	0	110.7	N419 F424 V426 Y434 S436 C439 C464 K466 N468 D471	Y417-N419 HydrophobicContact CD2-CB 4.4Å; Y417-N419 HydrophobicContact CE2-CB 4.32Å; Y417-F424 HydrophobicContact CD1-CB 3.7Å; Y417-F424 HydrophobicContact CD2-CB 4.27Å; Y417-F424 AromaticContact CD2-CD2 3.95Å; Y417-F424 HydrophobicContact CD2-CD2 3.95Å; Y417-F424 HydrophobicContact CD2-CG 4.41Å; Y417-F424 HydrophobicContact CE1-CB 3.34Å; Y417-F424 HydrophobicContact CE1-CD2 4.42Å; Y417-F424 AromaticContact CE1-CG 3.94Å; Y417-F424 HydrophobicContact CE1-CG 3.94Å; Y417-F424 HydrophobicContact CE2-CB 3.96Å; Y417-F424 AromaticContact CE2-CD2 3.44Å; Y417-F424 HydrophobicContact CE2-CD2 3.44Å; Y417-F424 VanDerWaalsContact CE2-CD2 3.44Å; Y417-F424 HydrophobicContact CE2-CE2 4.03Å; Y417-F424 AromaticContact CE2-CG 3.78Å; Y417-F424 HydrophobicContact CE2-CG 3.78Å; Y417-F424 HydrophobicContact CG-CB 4.17Å; Y417-F424 VanDerWaalsContact CZ-CB 3.49Å; Y417-F424 AromaticContact CZ-CD2 3.72Å; Y417-F424 AromaticContact CZ-CG 3.52Å; Y417-F424 PolarHBondContact N-O 3.05Å; Y417-F424 VanDerWaalsContact N-O 3.15Å; Y417-F424 PolarHBondContact O-N 3.02Å; Y417-V426 HydrophobicContact CD1-CG2 3.97Å; Y417-V426 HydrophobicContact CE1-CG2 4.25Å; Y417-Y434 HydrophobicContact CD1-CD2 4.4Å; Y417-Y434 AromaticContact CD1-CE2 3.61Å; Y417-Y434 HydrophobicContact CD1-CE2 3.61Å; Y417-Y434 AromaticContact CE1-CD2 3.93Å; Y417-Y434 HydrophobicContact CE1-CD2 3.93Å; Y417-Y434 AromaticContact CE1-CE2 3.6Å; Y417-Y434 HydrophobicContact CE1-CE2 3.6Å; Y417-S436 WeakPolarHBondContact OH-CA 3.43Å; Y417-S436 PolarHBondContact OH-N 2.88Å; Y417-C439 HydrophobicContact CE1-CB 4.34Å; Y417-C464 PolarHBondContact N-O 3.09Å; Y417-K466 CarbonylContact C-O 3.2Å; Y417-K466 WeakPolarHBondContact CA-O 3.39Å; Y417-K466 VanDerWaalsContact CB-O 3.29Å; Y417-K466 WeakPolarHBondContact CB-O 3.49Å; Y417-N468 HydrophobicContact CD1-CB 4.37Å; Y417-N468 HydrophobicContact CD2-CB 3.38Å; Y417-N468 HydrophobicContact CE2-CB 3.68Å; Y417-N468 HydrophobicContact CG-CB 3.74Å; Y417-D471 HydrophobicContact CE2-CB 4.31Å
418	E	93.5	Very high	95.6	Very high	6 Å²	6	10.8 Å²	10.8	3%	0.028	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	110.8	177.2	-173.2	161.4	123.9	0	0	111.5	N422 S423 R465 K466 Q494 R551	E418-N422 CarbonylContact C-O 3.56Å; E418-N422 VanDerWaalsContact CA-O 3.31Å; E418-N422 WeakPolarHBondContact CA-O 3.13Å; E418-S423 PolarHBondContact OE2-OG 2.76Å; E418-R465 HydrophobicContact CB-CB 4.11Å; E418-R465 VanDerWaalsContact CD-NH2 3.29Å; E418-R465 IonicContact OE1-CZ 2.7Å; E418-R465 IonicContact OE1-NE 2.65Å; E418-R465 IonicContact OE1-NH2 2.81Å; E418-R465 PolarHBondContact OE1-NH2 3.31Å; E418-R465 IonicContact OE2-CZ 3.2Å; E418-R465 IonicContact OE2-NE 2.65Å; E418-R465 PolarHBondContact OE2-NE 3.42Å; E418-R465 IonicContact OE2-NH2 2.73Å; E418-R465 PolarHBondContact OE2-NH2 2.72Å; E418-K466 PolarHBondContact N-O 2.95Å; E418-Q494 WeakPolarHBondContact OE1-CG 3.49Å; E418-Q494 PolarHBondContact OE1-NE2 2.97Å; E418-R551 IonicContact OE1-NH1 2.7Å
419	N	88.8	Confident	95.6	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	120.4	177	-85.3	13.6	0	0	0	109.8	Y417 G421 N422 F424 R467 N468 D471	Y417-N419 HydrophobicContact CD2-CB 4.4Å; Y417-N419 HydrophobicContact CE2-CB 4.32Å; N419-G421 PolarHBondContact O-N 2.92Å; N419-G421 VanDerWaalsContact O-N 3.13Å; N419-N422 PolarHBondContact N-O 2.97Å; N419-N422 WeakPolarHBondContact O-CB 3.38Å; N419-N422 PolarHBondContact O-N 3.27Å; N419-F424 HydrophobicContact CB-CE2 4.33Å; N419-R467 WeakPolarHBondContact OD1-CA 3.19Å; N419-R467 WeakPolarHBondContact OD1-CG 3.44Å; N419-N468 PolarHBondContact ND2-O 3.14Å; N419-N468 PolarHBondContact OD1-N 3.28Å; N419-D471 WeakPolarHBondContact ND2-CB 3.48Å; N419-D471 PolarHBondContact ND2-O 3.48Å; N419-D471 PolarHBondContact ND2-OD2 2.98Å
420	F	87.6	Confident	95.6	Very high	106 Å²	106	13.2 Å²	13.2	47%	0.465	7%	0.073	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	28.1	178.7	-50.2	-76.9	0	0	0	114.7	N422 T473 I474	F420-N422 VanDerWaalsContact C-N 3.34Å; F420-T473 WeakPolarHBondContact CE2-O 3.4Å; F420-I474 HydrophobicContact CE2-CG1 3.83Å; F420-I474 HydrophobicContact CZ-CD1 4.39Å; F420-I474 HydrophobicContact CZ-CG1 3.96Å
421	G	83.3	Confident	95.5	Very high	21 Å²	21	16 Å²	16	22%	0.216	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	-0.3	-177.5	0	0	0	0	0	114.7	N419 Q443	N419-G421 PolarHBondContact O-N 2.92Å; N419-G421 VanDerWaalsContact O-N 3.13Å; G421-Q443 PolarHBondContact O-NE2 3.11Å
422	N	90.9	Very high	95.3	Very high	22 Å²	22	21 Å²	21	12%	0.118	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	126.9	169.2	-59.7	-76.2	0	0	0	109.3	E418 N419 F420 F424 P475	E418-N422 CarbonylContact C-O 3.56Å; E418-N422 VanDerWaalsContact CA-O 3.31Å; E418-N422 WeakPolarHBondContact CA-O 3.13Å; N419-N422 PolarHBondContact N-O 2.97Å; N419-N422 WeakPolarHBondContact O-CB 3.38Å; N419-N422 PolarHBondContact O-N 3.27Å; F420-N422 VanDerWaalsContact C-N 3.34Å; N422-F424 HydrophobicContact CB-CE2 3.82Å; N422-F424 HydrophobicContact CB-CZ 4.27Å; N422-F424 WeakPolarHBondContact O-CD2 3.44Å; N422-F424 WeakPolarHBondContact O-CE2 3.33Å; N422-P475 HydrophobicContact CB-CG 4.49Å
423	S	96.1	Very high	95.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	133.2	-173.7	-39.9	0	0	0	0	108.9	E418 V442 Q443	E418-S423 PolarHBondContact OE2-OG 2.76Å; S423-V442 WeakPolarHBondContact O-CG2 3.43Å; S423-V442 PolarHBondContact O-N 3.43Å; S423-Q443 PolarHBondContact O-OE1 3.38Å; S423-Q443 PolarHBondContact OG-NE2 3.48Å
424	F	97.9	Very high	95	Very high	6 Å²	6	26 Å²	26	3%	0.026	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	129	-174.7	-67.8	-93.3	0	0	0	110.9	G416 Y417 N419 N422 C439 L440 C441 P475	G416-F424 WeakPolarHBondContact CA-O 3.05Å; Y417-F424 HydrophobicContact CD1-CB 3.7Å; Y417-F424 HydrophobicContact CD2-CB 4.27Å; Y417-F424 AromaticContact CD2-CD2 3.95Å; Y417-F424 HydrophobicContact CD2-CD2 3.95Å; Y417-F424 HydrophobicContact CD2-CG 4.41Å; Y417-F424 HydrophobicContact CE1-CB 3.34Å; Y417-F424 HydrophobicContact CE1-CD2 4.42Å; Y417-F424 AromaticContact CE1-CG 3.94Å; Y417-F424 HydrophobicContact CE1-CG 3.94Å; Y417-F424 HydrophobicContact CE2-CB 3.96Å; Y417-F424 AromaticContact CE2-CD2 3.44Å; Y417-F424 HydrophobicContact CE2-CD2 3.44Å; Y417-F424 VanDerWaalsContact CE2-CD2 3.44Å; Y417-F424 HydrophobicContact CE2-CE2 4.03Å; Y417-F424 AromaticContact CE2-CG 3.78Å; Y417-F424 HydrophobicContact CE2-CG 3.78Å; Y417-F424 HydrophobicContact CG-CB 4.17Å; Y417-F424 VanDerWaalsContact CZ-CB 3.49Å; Y417-F424 AromaticContact CZ-CD2 3.72Å; Y417-F424 AromaticContact CZ-CG 3.52Å; Y417-F424 PolarHBondContact N-O 3.05Å; Y417-F424 VanDerWaalsContact N-O 3.15Å; Y417-F424 PolarHBondContact O-N 3.02Å; N419-F424 HydrophobicContact CB-CE2 4.33Å; N422-F424 HydrophobicContact CB-CE2 3.82Å; N422-F424 HydrophobicContact CB-CZ 4.27Å; N422-F424 WeakPolarHBondContact O-CD2 3.44Å; N422-F424 WeakPolarHBondContact O-CE2 3.33Å; F424-C439 HydrophobicContact CB-CB 4.3Å; F424-C439 HydrophobicContact CD1-CB 4.19Å; F424-L440 WeakPolarHBondContact CA-O 3.44Å; F424-C441 HydrophobicContact CD1-CB 3.9Å; F424-C441 HydrophobicContact CE1-CB 3.61Å; F424-C441 HydrophobicContact CZ-CB 4.27Å; F424-P475 HydrophobicContact CZ-CG 4.46Å
425	M	98.5	Very high	95	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	131.5	173	-55.5	177.5	-63.1	0	0	109	M391 L410 Y412 C439 L440 V442 I445 M463	M391-M425 HydrophobicContact CE-CB 3.85Å; M391-M425 HydrophobicContact CE-CE 4.13Å; M391-M425 HydrophobicContact CE-SD 4.39Å; L410-M425 HydrophobicContact CD2-CE 4.27Å; L410-M425 HydrophobicContact CD2-SD 4.27Å; Y412-M425 VanDerWaalsContact CB-SD 3.57Å; Y412-M425 HydrophobicContact CD1-CB 4.1Å; Y412-M425 HydrophobicContact CD1-CG 3.7Å; Y412-M425 HydrophobicContact CD1-SD 4.12Å; Y412-M425 HydrophobicContact CD2-CB 4.08Å; Y412-M425 HydrophobicContact CD2-CG 4.06Å; Y412-M425 HydrophobicContact CD2-SD 3.74Å; Y412-M425 HydrophobicContact CE1-CB 3.89Å; Y412-M425 HydrophobicContact CE1-CG 4Å; Y412-M425 HydrophobicContact CE2-CB 3.9Å; Y412-M425 HydrophobicContact CE2-CG 4.36Å; Y412-M425 HydrophobicContact CG-CB 4.18Å; Y412-M425 HydrophobicContact CG-CG 3.72Å; Y412-M425 HydrophobicContact CG-SD 3.52Å; Y412-M425 VanDerWaalsContact CG-SD 3.52Å; M425-C439 WeakPolarHBondContact O-CB 3.44Å; M425-L440 HydrophobicContact CE-CB 3.72Å; M425-L440 HydrophobicContact CE-CD2 4.29Å; M425-L440 PolarHBondContact N-O 3Å; M425-L440 PolarHBondContact O-N 3.39Å; M425-L440 VanDerWaalsContact O-N 3.13Å; M425-V442 HydrophobicContact CE-CG2 4.26Å; M425-V442 HydrophobicContact CG-CG2 3.84Å; M425-V442 HydrophobicContact SD-CG2 4.06Å; M425-I445 HydrophobicContact CE-CD1 3.53Å; M425-M463 HydrophobicContact CG-SD 4.15Å
426	V	98.5	Very high	94.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-98.4	121.2	-175.5	-177	0	0	0	0	110.3	N350 Y353 Y412 H415 Y417 A430 Y434	N350-V426 PolarHBondContact ND2-O 2.95Å; Y353-V426 HydrophobicContact CE1-CG1 4.29Å; Y353-V426 WeakPolarHBondContact CE1-O 3.19Å; Y412-V426 PolarHBondContact OH-N 2.83Å; Y412-V426 PolarHBondContact OH-O 2.73Å; H415-V426 HydrophobicContact CB-CB 3.95Å; H415-V426 HydrophobicContact CB-CG1 4.42Å; H415-V426 HydrophobicContact CB-CG2 4.3Å; H415-V426 WeakPolarHBondContact O-CB 3.41Å; H415-V426 PolarHBondContact O-N 2.82Å; H415-V426 VanDerWaalsContact O-N 3.09Å; Y417-V426 HydrophobicContact CD1-CG2 3.97Å; Y417-V426 HydrophobicContact CE1-CG2 4.25Å; V426-A430 HydrophobicContact CG1-CB 3.52Å; V426-Y434 HydrophobicContact CG1-CD1 4.48Å; V426-Y434 HydrophobicContact CG1-CE1 4.33Å; V426-Y434 HydrophobicContact CG1-CE2 4.44Å; V426-Y434 HydrophobicContact CG2-CD2 4.33Å; V426-Y434 HydrophobicContact CG2-CE2 3.71Å
427	P	98.6	Very high	94.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-71.3	161.4	176.1	-19.7	33.3	0	0	0	114	Y353 E388 M391 D429 A430 N438 L440	Y353-P427 WeakPolarHBondContact CD1-O 3.42Å; E388-P427 HydrophobicContact CB-CB 4.11Å; E388-P427 HydrophobicContact CB-CG 3.69Å; E388-P427 HydrophobicContact CG-CG 3.96Å; E388-P427 VanDerWaalsContact N-CB 3.3Å; M391-P427 HydrophobicContact SD-CB 3.95Å; M391-P427 HydrophobicContact SD-CG 3.86Å; P427-D429 WeakPolarHBondContact CB-OD1 3.39Å; P427-D429 PolarHBondContact O-N 2.75Å; P427-A430 WeakPolarHBondContact O-CB 3.31Å; P427-A430 PolarHBondContact O-N 2.95Å; P427-N438 WeakPolarHBondContact CD-O 3.48Å; P427-N438 WeakPolarHBondContact CG-O 3.45Å; P427-L440 HydrophobicContact CG-CD1 4.18Å
428	V	98.1	Very high	94.7	Very high	7 Å²	7	36 Å²	36	4%	0.042	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-20.6	-179.2	-58.3	0	0	0	0	114.1	N350 Y353 R354 D385 L386	N350-V428 HydrophobicContact CB-CG1 3.79Å; Y353-V428 WeakPolarHBondContact CA-O 3.15Å; R354-V428 PolarHBondContact N-O 2.92Å; D385-V428 HydrophobicContact CB-CG1 4.17Å; L386-V428 PolarHBondContact O-N 3.34Å; L386-V428 VanDerWaalsContact O-N 3.14Å
429	D	97.9	Very high	94.9	Very high	52 Å²	52	35.9 Å²	35.9	28%	0.278	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	8.1	177.4	66.2	-31.9	0	0	0	114.4	T387 E388 P427	T387-D429 WeakPolarHBondContact CA-OD1 3.33Å; T387-D429 WeakPolarHBondContact CB-OD1 3.49Å; T387-D429 WeakPolarHBondContact CB-OD2 3.37Å; T387-D429 HydrophobicContact CG2-CB 4.14Å; E388-D429 PolarHBondContact N-OD1 2.97Å; P427-D429 WeakPolarHBondContact CB-OD1 3.39Å; P427-D429 PolarHBondContact O-N 2.75Å
430	A	97.6	Very high	95.3	Very high	2 Å²	2	36.2 Å²	36.2	2%	0.017	19%	0.189	C	C	.	.			trans	-57.3	130.7	175.7	0	0	0	0	0	111.6	H356 V426 P427 Y434	H356-A430 PolarHBondContact CE1-O 3.44Å; H356-A430 PolarHBondContact ND1-O 2.86Å; V426-A430 HydrophobicContact CG1-CB 3.52Å; P427-A430 WeakPolarHBondContact O-CB 3.31Å; P427-A430 PolarHBondContact O-N 2.95Å; A430-Y434 HydrophobicContact CB-CD1 4.47Å; A430-Y434 HydrophobicContact CB-CG 4.45Å
431	P	97.1	Very high	95.8	Very high	57 Å²	57	31.7 Å²	31.7	37%	0.37	17%	0.171	S	C	.	.			trans	-72.9	161.4	178.2	32	-36.6	0	0	0	111.2	H356 P433 Y434 N438	H356-P431 PolarHBondContact CE1-O 2.85Å; H356-P431 VanDerWaalsContact CE1-O 3.26Å; P431-P433 CarbonylContact C-O 3.59Å; P431-P433 CarbonylContact O-C 3.58Å; P431-Y434 VanDerWaalsContact O-CB 3.29Å; P431-Y434 WeakPolarHBondContact O-CB 3.48Å; P431-Y434 PolarHBondContact O-N 3.18Å; P431-Y434 VanDerWaalsContact O-N 3.09Å; P431-N438 VanDerWaalsContact CG-ND2 3.31Å; P431-N438 WeakPolarHBondContact CG-ND2 3.33Å
432	N	95.9	Very high	96.5	Very high	106 Å²	106	30.7 Å²	30.7	57%	0.567	16%	0.161	S	C	*	.	S	Bend	trans	-112.9	110.6	176.8	-171	-9.9	0	0	0	110.4	E355	E355-N432 HydrophobicContact CB-CB 3.71Å; E355-N432 PolarHBondContact O-ND2 2.84Å
433	P	95.5	Very high	96.6	Very high	68 Å²	68	30.5 Å²	30.5	44%	0.442	16%	0.159	S	C	.	.	S	Bend	cis	-78.7	159.3	-0.1	33.7	-36.4	0	0	0	113.7	P431 Y470	P431-P433 CarbonylContact C-O 3.59Å; P431-P433 CarbonylContact O-C 3.58Å; P433-Y470 HydrophobicContact CB-CD1 3.74Å; P433-Y470 HydrophobicContact CB-CD2 3.63Å; P433-Y470 HydrophobicContact CB-CE1 4.06Å; P433-Y470 HydrophobicContact CB-CE2 3.96Å; P433-Y470 HydrophobicContact CB-CG 3.5Å; P433-Y470 HydrophobicContact CG-CD1 3.79Å; P433-Y470 HydrophobicContact CG-CE1 4.03Å; P433-Y470 HydrophobicContact CG-CG 4.08Å
434	Y	94.9	Very high	96.5	Very high	40 Å²	40	33.9 Å²	33.9	16%	0.157	18%	0.177	C	C	.	.			trans	-111	164.3	174.2	54.2	-89.7	0	0	0	112.6	H356 Y417 V426 A430 P431 N468	H356-Y434 AromaticContact CD2-CE1 3.95Å; H356-Y434 AromaticContact CE1-CD1 3.45Å; H356-Y434 VanDerWaalsContact CE1-CD1 3.45Å; H356-Y434 WeakPolarHBondContact CE1-CD1 3.36Å; H356-Y434 AromaticContact CE1-CE1 3.77Å; H356-Y434 AromaticContact NE2-CD1 3.32Å; H356-Y434 VanDerWaalsContact NE2-CD1 3.32Å; H356-Y434 WeakPolarHBondContact NE2-CD1 3.49Å; H356-Y434 AromaticContact NE2-CE1 3.35Å; H356-Y434 WeakPolarHBondContact NE2-CE1 3.48Å; Y417-Y434 HydrophobicContact CD1-CD2 4.4Å; Y417-Y434 AromaticContact CD1-CE2 3.61Å; Y417-Y434 HydrophobicContact CD1-CE2 3.61Å; Y417-Y434 AromaticContact CE1-CD2 3.93Å; Y417-Y434 HydrophobicContact CE1-CD2 3.93Å; Y417-Y434 AromaticContact CE1-CE2 3.6Å; Y417-Y434 HydrophobicContact CE1-CE2 3.6Å; V426-Y434 HydrophobicContact CG1-CD1 4.48Å; V426-Y434 HydrophobicContact CG1-CE1 4.33Å; V426-Y434 HydrophobicContact CG1-CE2 4.44Å; V426-Y434 HydrophobicContact CG2-CD2 4.33Å; V426-Y434 HydrophobicContact CG2-CE2 3.71Å; A430-Y434 HydrophobicContact CB-CD1 4.47Å; A430-Y434 HydrophobicContact CB-CG 4.45Å; P431-Y434 VanDerWaalsContact O-CB 3.29Å; P431-Y434 WeakPolarHBondContact O-CB 3.48Å; P431-Y434 PolarHBondContact O-N 3.18Å; P431-Y434 VanDerWaalsContact O-N 3.09Å; Y434-N468 PolarHBondContact O-ND2 3.3Å
435	R	95	Very high	96.5	Very high	101 Å²	101	34 Å²	34	38%	0.381	18%	0.177	S	C	.	.			trans	-133.1	178.2	-179.9	-70.9	-175.8	155.3	178.6	-9.5	111.3	E437 N438 C439 Y470 D472	R435-E437 VanDerWaalsContact CB-CD 3.48Å; R435-E437 HydrophobicContact CB-CG 4.22Å; R435-E437 WeakPolarHBondContact CB-OE2 3.45Å; R435-E437 WeakPolarHBondContact CD-OE1 3.43Å; R435-E437 PolarHBondContact O-N 3.13Å; R435-N438 PolarHBondContact N-ND2 3.19Å; R435-N438 PolarHBondContact O-N 3.26Å; R435-N438 VanDerWaalsContact O-N 3.16Å; R435-C439 PolarHBondContact O-SG 2.59Å; R435-Y470 WeakPolarHBondContact CG-O 3.42Å; R435-Y470 PolarHBondContact NE-O 3.45Å; R435-D472 IonicContact CZ-OD2 2.72Å; R435-D472 IonicContact NH2-OD2 3.6Å; R435-D472 PolarHBondContact NH2-OD2 3.25Å
436	S	94.3	Very high	96.4	Very high	23 Å²	23	34 Å²	34	16%	0.161	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-62.2	-28.2	179.2	61.8	0	0	0	0	113.6	Y417 N438 C439 D471 T473	Y417-S436 WeakPolarHBondContact OH-CA 3.43Å; Y417-S436 PolarHBondContact OH-N 2.88Å; S436-N438 VanDerWaalsContact C-N 3.3Å; S436-N438 PolarHBondContact O-N 3.19Å; S436-C439 PolarHBondContact O-N 2.89Å; S436-D471 PolarHBondContact OG-OD1 3.09Å; S436-T473 WeakPolarHBondContact OG-CG2 3.44Å; S436-T473 PolarHBondContact OG-OG1 2.96Å
437	E	92.9	Very high	96.2	Very high	102 Å²	102	37 Å²	37	48%	0.477	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-59.7	-36.8	172.9	59.1	-104.3	-144.8	0	0	113.4	R392 R435 C439	R392-E437 PolarHBondContact NH2-O 2.88Å; R435-E437 VanDerWaalsContact CB-CD 3.48Å; R435-E437 HydrophobicContact CB-CG 4.22Å; R435-E437 WeakPolarHBondContact CB-OE2 3.45Å; R435-E437 WeakPolarHBondContact CD-OE1 3.43Å; R435-E437 PolarHBondContact O-N 3.13Å; E437-C439 PolarHBondContact O-N 2.95Å
438	N	96.1	Very high	96	Very high	38 Å²	38	38.4 Å²	38.4	20%	0.203	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-86.3	12.1	-175.6	-51	-31.9	0	0	0	112.7	E388 P427 P431 R435 S436	E388-N438 WeakPolarHBondContact OE2-CA 3.49Å; P427-N438 WeakPolarHBondContact CD-O 3.48Å; P427-N438 WeakPolarHBondContact CG-O 3.45Å; P431-N438 VanDerWaalsContact CG-ND2 3.31Å; P431-N438 WeakPolarHBondContact CG-ND2 3.33Å; R435-N438 PolarHBondContact N-ND2 3.19Å; R435-N438 PolarHBondContact O-N 3.26Å; R435-N438 VanDerWaalsContact O-N 3.16Å; S436-N438 VanDerWaalsContact C-N 3.3Å; S436-N438 PolarHBondContact O-N 3.19Å
439	C	97.4	Very high	96	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.02	20%	0.196	C	C	.	.	S	Bend	trans	-139.8	167.1	-166.2	-69.6	0	0	0	0	111.9	R392 Y417 F424 M425 R435 S436 E437	R392-C439 PolarHBondContact NH2-O 3.32Å; Y417-C439 HydrophobicContact CE1-CB 4.34Å; F424-C439 HydrophobicContact CB-CB 4.3Å; F424-C439 HydrophobicContact CD1-CB 4.19Å; M425-C439 WeakPolarHBondContact O-CB 3.44Å; R435-C439 PolarHBondContact O-SG 2.59Å; S436-C439 PolarHBondContact O-N 2.89Å; E437-C439 PolarHBondContact O-N 2.95Å
440	L	98	Very high	95.7	Very high	6 Å²	6	36 Å²	36	3%	0.031	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	114.3	176.7	-76.6	81.5	0	0	0	110.5	E388 M391 R392 V395 F424 M425 P427	E388-L440 HydrophobicContact CG-CD1 4.16Å; M391-L440 HydrophobicContact CB-CD1 3.67Å; M391-L440 HydrophobicContact CB-CD2 3.74Å; M391-L440 HydrophobicContact CB-CG 4.38Å; M391-L440 HydrophobicContact CE-CD1 4.32Å; M391-L440 HydrophobicContact CE-CD2 4.46Å; M391-L440 HydrophobicContact CG-CD1 4.5Å; M391-L440 HydrophobicContact SD-CD1 4.16Å; R392-L440 HydrophobicContact CG-CD1 4.24Å; R392-L440 HydrophobicContact CG-CD2 4.14Å; R392-L440 HydrophobicContact CG-CG 4.18Å; V395-L440 HydrophobicContact CG2-CD2 4.08Å; F424-L440 WeakPolarHBondContact CA-O 3.44Å; M425-L440 HydrophobicContact CE-CB 3.72Å; M425-L440 HydrophobicContact CE-CD2 4.29Å; M425-L440 PolarHBondContact N-O 3Å; M425-L440 PolarHBondContact O-N 3.39Å; M425-L440 VanDerWaalsContact O-N 3.13Å; P427-L440 HydrophobicContact CG-CD1 4.18Å
441	C	97.3	Very high	95.6	Very high	12 Å²	12	40.5 Å²	40.5	8%	0.081	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	119.6	173	179.8	0	0	0	0	110.6	F424 Q443 N444	F424-C441 HydrophobicContact CD1-CB 3.9Å; F424-C441 HydrophobicContact CE1-CB 3.61Å; F424-C441 HydrophobicContact CZ-CB 4.27Å; C441-Q443 VanDerWaalsContact C-N 3.32Å; C441-Q443 PolarHBondContact O-N 2.87Å; C441-N444 HydrophobicContact CB-CB 4.38Å; C441-N444 PolarHBondContact O-N 2.72Å
442	V	97.4	Very high	95.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.7	-35.3	-176.6	-177.7	0	0	0	0	111.8	S423 M425 N444 I445 L446 F459 L461 F488	S423-V442 WeakPolarHBondContact O-CG2 3.43Å; S423-V442 PolarHBondContact O-N 3.43Å; M425-V442 HydrophobicContact CE-CG2 4.26Å; M425-V442 HydrophobicContact CG-CG2 3.84Å; M425-V442 HydrophobicContact SD-CG2 4.06Å; V442-N444 VanDerWaalsContact C-N 3.27Å; V442-N444 PolarHBondContact O-N 2.73Å; V442-I445 WeakPolarHBondContact O-CB 3.19Å; V442-I445 PolarHBondContact O-N 3.45Å; V442-L446 PolarHBondContact O-N 2.82Å; V442-F459 HydrophobicContact CG1-CD1 3.27Å; V442-F459 HydrophobicContact CG1-CE1 3.43Å; V442-F459 VanDerWaalsContact CG1-CE1 3.43Å; V442-F459 HydrophobicContact CG1-CG 4.13Å; V442-F459 HydrophobicContact CG1-CZ 4.4Å; V442-L461 HydrophobicContact CG1-CD1 4.24Å; V442-L461 HydrophobicContact CG2-CD1 4.2Å; V442-L461 HydrophobicContact CG2-CD2 4.12Å; V442-F488 HydrophobicContact CG1-CE1 3.94Å
443	Q	94.3	Very high	95.3	Very high	17 Å²	17	41.6 Å²	41.6	8%	0.079	20%	0.201	C	C	.	.	H	α-helix	trans	-65.6	-29.3	179.6	-71.2	70.7	19.3	0	0	112.4	G421 S423 C441 K447 L477	G421-Q443 PolarHBondContact O-NE2 3.11Å; S423-Q443 PolarHBondContact O-OE1 3.38Å; S423-Q443 PolarHBondContact OG-NE2 3.48Å; C441-Q443 VanDerWaalsContact C-N 3.32Å; C441-Q443 PolarHBondContact O-N 2.87Å; Q443-K447 PolarHBondContact O-N 2.7Å; Q443-L477 HydrophobicContact CB-CD2 3.48Å; Q443-L477 VanDerWaalsContact CB-CD2 3.48Å
444	N	94.3	Very high	95.4	Very high	71 Å²	71	38.6 Å²	38.6	38%	0.38	18%	0.181	S	C	.	.	H	α-helix	trans	-67.8	-39.7	170.8	-74	-21.7	0	0	0	111.7	C441 V442 K447 L448 L477	C441-N444 HydrophobicContact CB-CB 4.38Å; C441-N444 PolarHBondContact O-N 2.72Å; V442-N444 VanDerWaalsContact C-N 3.27Å; V442-N444 PolarHBondContact O-N 2.73Å; N444-K447 PolarHBondContact O-N 3.03Å; N444-L448 WeakPolarHBondContact O-CG 3.32Å; N444-L448 PolarHBondContact O-N 2.83Å; N444-L477 WeakPolarHBondContact OD1-CD2 3.38Å
445	I	97.2	Very high	95.4	Very high	8 Å²	8	37.1 Å²	37.1	4%	0.041	18%	0.178	C	C	.	.	H	α-helix	trans	-63.6	-47.3	176.4	-52.8	177.4	0	0	0	109.7	V395 L410 M425 V442 K447 L448 M449 F459	V395-I445 HydrophobicContact CG1-CB 4.49Å; V395-I445 HydrophobicContact CG1-CD1 4.07Å; V395-I445 HydrophobicContact CG1-CG1 3.99Å; V395-I445 HydrophobicContact CG1-CG2 3.84Å; V395-I445 HydrophobicContact CG2-CD1 3.86Å; L410-I445 HydrophobicContact CD2-CD1 4Å; M425-I445 HydrophobicContact CE-CD1 3.53Å; V442-I445 WeakPolarHBondContact O-CB 3.19Å; V442-I445 PolarHBondContact O-N 3.45Å; I445-K447 VanDerWaalsContact C-N 3.32Å; I445-K447 PolarHBondContact O-N 2.79Å; I445-L448 PolarHBondContact O-N 2.94Å; I445-L448 VanDerWaalsContact O-N 3.1Å; I445-M449 HydrophobicContact CG2-CG 4.41Å; I445-M449 HydrophobicContact CG2-SD 4.24Å; I445-M449 WeakPolarHBondContact O-CG 3.35Å; I445-M449 PolarHBondContact O-N 3.01Å; I445-F459 HydrophobicContact CB-CE1 4.42Å; I445-F459 HydrophobicContact CG2-CE1 4.34Å; I445-F459 HydrophobicContact CG2-CZ 4.45Å
446	L	96.4	Very high	95.6	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-55.6	-44.4	175.5	170	58.8	0	0	0	112.2	V442 L448 M449 Q450 N457 F459 L480 I486 F488	V442-L446 PolarHBondContact O-N 2.82Å; L446-L448 VanDerWaalsContact C-N 3.31Å; L446-L448 PolarHBondContact O-N 2.79Å; L446-M449 PolarHBondContact O-N 3.07Å; L446-Q450 HydrophobicContact CD1-CG 4.14Å; L446-Q450 WeakPolarHBondContact O-CG 3.29Å; L446-Q450 PolarHBondContact O-N 2.82Å; L446-N457 HydrophobicContact CD1-CB 4.22Å; L446-F459 HydrophobicContact CB-CE2 3.84Å; L446-F459 HydrophobicContact CB-CZ 3.72Å; L446-F459 HydrophobicContact CD1-CE2 3.81Å; L446-F459 HydrophobicContact CD1-CZ 4.45Å; L446-F459 HydrophobicContact CG-CE2 4.29Å; L446-L480 HydrophobicContact CD2-CD1 3.65Å; L446-L480 HydrophobicContact CG-CD1 4.33Å; L446-L480 HydrophobicContact CG-CD2 4.37Å; L446-I486 HydrophobicContact CD1-CD1 3.89Å; L446-I486 HydrophobicContact CD1-CG1 3.86Å; L446-I486 HydrophobicContact CD1-CG2 4Å; L446-I486 HydrophobicContact CD2-CD1 4.15Å; L446-I486 HydrophobicContact CD2-CG2 4.04Å; L446-F488 HydrophobicContact CD2-CE2 3.81Å; L446-F488 HydrophobicContact CD2-CZ 3.8Å
447	K	94.6	Very high	95.7	Very high	63 Å²	63	31.2 Å²	31.2	27%	0.274	15%	0.153	S	C	.	.	H	α-helix	trans	-56.5	-45.2	176.1	-175.7	-179.5	172.1	-173.8	0	111.6	Q443 N444 I445 Q450 E451 D478 L480	Q443-K447 PolarHBondContact O-N 2.7Å; N444-K447 PolarHBondContact O-N 3.03Å; I445-K447 VanDerWaalsContact C-N 3.32Å; I445-K447 PolarHBondContact O-N 2.79Å; K447-Q450 WeakPolarHBondContact O-CB 3.45Å; K447-Q450 PolarHBondContact O-N 3.23Å; K447-E451 WeakPolarHBondContact O-CG 3.34Å; K447-E451 PolarHBondContact O-N 3.06Å; K447-E451 VanDerWaalsContact O-N 3.13Å; K447-D478 IonicContact NZ-OD2 3.48Å; K447-D478 PolarHBondContact NZ-OD2 3.4Å; K447-L480 HydrophobicContact CB-CD2 3.88Å; K447-L480 HydrophobicContact CG-CD2 4.46Å
448	L	94.8	Very high	96	Very high	29 Å²	29	26.5 Å²	26.5	15%	0.152	13%	0.131	C	C	.	.	H	α-helix	trans	-67.8	-35.2	178.2	-64.5	165.3	0	0	0	112.4	L399 N444 I445 L446 E451 K452 F727	L399-L448 HydrophobicContact CD1-CB 3.74Å; L399-L448 HydrophobicContact CD1-CD1 3.74Å; L399-L448 HydrophobicContact CD1-CG 4.34Å; L399-L448 HydrophobicContact CD2-CB 3.75Å; L399-L448 HydrophobicContact CG-CB 4.42Å; N444-L448 WeakPolarHBondContact O-CG 3.32Å; N444-L448 PolarHBondContact O-N 2.83Å; I445-L448 PolarHBondContact O-N 2.94Å; I445-L448 VanDerWaalsContact O-N 3.1Å; L446-L448 VanDerWaalsContact C-N 3.31Å; L446-L448 PolarHBondContact O-N 2.79Å; L448-E451 WeakPolarHBondContact O-CB 3.29Å; L448-E451 PolarHBondContact O-N 2.87Å; L448-K452 PolarHBondContact O-N 3.38Å; L448-F727 HydrophobicContact CD1-CE1 4.19Å; L448-F727 HydrophobicContact CD1-CE2 4.28Å; L448-F727 HydrophobicContact CD1-CZ 3.51Å
449	M	96.4	Very high	96.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-65	-38.8	172.2	-62.6	176.4	71.7	0	0	111.8	F398 L399 L402 I445 L446 E451 K452 T454 N457 F459	F398-M449 HydrophobicContact CE1-CE 3.84Å; F398-M449 HydrophobicContact CE1-CG 4.43Å; F398-M449 HydrophobicContact CE1-SD 3.89Å; F398-M449 HydrophobicContact CZ-CE 3.77Å; F398-M449 HydrophobicContact CZ-SD 4.42Å; L399-M449 HydrophobicContact CD2-CB 4.5Å; L399-M449 HydrophobicContact CD2-CG 3.68Å; L402-M449 HydrophobicContact CD1-CB 4.16Å; L402-M449 HydrophobicContact CD1-CE 3.69Å; L402-M449 HydrophobicContact CD1-CG 3.6Å; L402-M449 HydrophobicContact CD1-SD 4.31Å; I445-M449 HydrophobicContact CG2-CG 4.41Å; I445-M449 HydrophobicContact CG2-SD 4.24Å; I445-M449 WeakPolarHBondContact O-CG 3.35Å; I445-M449 PolarHBondContact O-N 3.01Å; L446-M449 PolarHBondContact O-N 3.07Å; M449-E451 VanDerWaalsContact C-N 3.28Å; M449-E451 PolarHBondContact O-N 3.26Å; M449-K452 WeakPolarHBondContact O-CB 3.35Å; M449-K452 PolarHBondContact O-N 2.93Å; M449-T454 PolarHBondContact O-OG1 2.83Å; M449-N457 WeakPolarHBondContact CB-OD1 3.44Å; M449-N457 HydrophobicContact CE-CB 4.48Å; M449-N457 WeakPolarHBondContact CE-OD1 3.26Å; M449-F459 HydrophobicContact SD-CE1 4.21Å; M449-F459 HydrophobicContact SD-CE2 3.81Å; M449-F459 HydrophobicContact SD-CZ 3.33Å; M449-F459 WeakPolarHBondContact SD-CZ 3.2Å
450	Q	92.6	Very high	96.2	Very high	8 Å²	8	24.5 Å²	24.5	4%	0.037	12%	0.12	C	C	.	.	H	α-helix	trans	-65.4	-29.5	174.3	-67.9	-169	-48.7	0	0	113.2	L446 K447 K452 E453 K481 T483	L446-Q450 HydrophobicContact CD1-CG 4.14Å; L446-Q450 WeakPolarHBondContact O-CG 3.29Å; L446-Q450 PolarHBondContact O-N 2.82Å; K447-Q450 WeakPolarHBondContact O-CB 3.45Å; K447-Q450 PolarHBondContact O-N 3.23Å; Q450-K452 PolarHBondContact O-N 3.35Å; Q450-E453 PolarHBondContact O-N 3.48Å; Q450-K481 PolarHBondContact NE2-O 2.7Å; Q450-T483 HydrophobicContact CB-CG2 4.42Å; Q450-T483 HydrophobicContact CG-CG2 4.14Å; Q450-T483 PolarHBondContact NE2-OG1 3.07Å
451	E	94.4	Very high	96.2	Very high	96 Å²	96	24.2 Å²	24.2	45%	0.449	12%	0.119	S	C	.	.	H	α-helix	trans	-68.8	-16.3	173.3	-70.4	170.5	-165.6	0	0	112.6	K447 L448 M449	K447-E451 WeakPolarHBondContact O-CG 3.34Å; K447-E451 PolarHBondContact O-N 3.06Å; K447-E451 VanDerWaalsContact O-N 3.13Å; L448-E451 WeakPolarHBondContact O-CB 3.29Å; L448-E451 PolarHBondContact O-N 2.87Å; M449-E451 VanDerWaalsContact C-N 3.28Å; M449-E451 PolarHBondContact O-N 3.26Å
452	K	93.5	Very high	96.2	Very high	70 Å²	70	24.4 Å²	24.4	30%	0.304	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	3.2	173.3	-59.1	-60	-174.1	114	0	114.6	L399 L402 D403 K404 L448 M449 Q450 T454	L399-K452 WeakPolarHBondContact O-CE 3.42Å; L399-K452 PolarHBondContact O-NZ 3.34Å; L402-K452 HydrophobicContact CB-CB 4.01Å; L402-K452 HydrophobicContact CB-CG 4.06Å; D403-K452 CarbonylContact C-O 3.57Å; D403-K452 WeakPolarHBondContact CA-O 3.33Å; K404-K452 PolarHBondContact N-O 3.12Å; K404-K452 VanDerWaalsContact N-O 3.1Å; L448-K452 PolarHBondContact O-N 3.38Å; M449-K452 WeakPolarHBondContact O-CB 3.35Å; M449-K452 PolarHBondContact O-N 2.93Å; Q450-K452 PolarHBondContact O-N 3.35Å; K452-T454 HydrophobicContact CB-CG2 4.37Å; K452-T454 PolarHBondContact O-N 2.93Å
453	E	95.2	Very high	96.1	Very high	116 Å²	116	24.4 Å²	24.4	54%	0.542	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	31.7	-178.3	-62	-177	-133.8	0	0	114.3	K404 G405 Q450	K404-E453 CarbonylContact C-O 3.51Å; K404-E453 VanDerWaalsContact CA-O 3.28Å; K404-E453 WeakPolarHBondContact CA-O 3.34Å; K404-E453 HydrophobicContact CB-CB 4.05Å; K404-E453 HydrophobicContact CD-CB 4.5Å; K404-E453 WeakPolarHBondContact CD-OE2 3.48Å; K404-E453 VanDerWaalsContact CE-OE2 3.31Å; K404-E453 WeakPolarHBondContact CE-OE2 3.24Å; K404-E453 HydrophobicContact CG-CB 3.97Å; K404-E453 IonicContact NZ-OE2 3.14Å; K404-E453 PolarHBondContact NZ-OE2 3.42Å; G405-E453 PolarHBondContact N-O 2.82Å; Q450-E453 PolarHBondContact O-N 3.48Å
454	T	96.4	Very high	95.9	Very high	5 Å²	5	25 Å²	25	3%	0.031	12%	0.124	C	C	.	.			trans	-49.3	145.5	177.7	45.5	0	0	0	0	112.6	L402 V406 M449 K452 N457 N485	L402-T454 HydrophobicContact CB-CG2 3.95Å; L402-T454 HydrophobicContact CD1-CG2 4.04Å; L402-T454 HydrophobicContact CD2-CG2 4.14Å; L402-T454 HydrophobicContact CG-CG2 4.26Å; V406-T454 CarbonylContact O-C 3.55Å; V406-T454 WeakPolarHBondContact O-CA 3.24Å; V406-T454 WeakPolarHBondContact O-CB 3.21Å; M449-T454 PolarHBondContact O-OG1 2.83Å; K452-T454 HydrophobicContact CB-CG2 4.37Å; K452-T454 PolarHBondContact O-N 2.93Å; T454-N457 PolarHBondContact OG1-ND2 2.87Å; T454-N457 PolarHBondContact OG1-OD1 2.83Å; T454-N485 PolarHBondContact O-ND2 3.32Å
455	G	95	Very high	95.8	Very high	9 Å²	9	21.6 Å²	21.6	9%	0.093	11%	0.106	C	C	.	.	S	Bend	trans	-77.2	-32.1	178.7	0	0	0	0	0	113.2	V406 N485 R558	V406-G455 PolarHBondContact O-N 2.9Å; G455-N485 WeakPolarHBondContact O-CB 3.49Å; G455-N485 PolarHBondContact O-ND2 2.94Å; G455-R558 WeakPolarHBondContact O-CD 3.38Å; G455-R558 PolarHBondContact O-NE 3.48Å
456	L	98.2	Very high	95.4	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	139	176.7	-177.9	66.6	0	0	0	109.4	Y407 G408 V458 V487 L554 R558 L560	Y407-L456 HydrophobicContact CD1-CB 3.54Å; Y407-L456 HydrophobicContact CD2-CB 4.01Å; Y407-L456 HydrophobicContact CD2-CD2 3.68Å; Y407-L456 HydrophobicContact CD2-CG 4.49Å; Y407-L456 HydrophobicContact CE1-CB 3.89Å; Y407-L456 HydrophobicContact CE2-CB 4.31Å; Y407-L456 HydrophobicContact CE2-CD2 3.92Å; Y407-L456 HydrophobicContact CG-CB 3.61Å; Y407-L456 HydrophobicContact CG-CD2 4.12Å; Y407-L456 HydrophobicContact CG-CG 4.48Å; G408-L456 PolarHBondContact N-O 3.46Å; L456-V458 HydrophobicContact CD1-CG2 4.34Å; L456-V458 HydrophobicContact CD2-CG2 3.77Å; L456-V458 HydrophobicContact CG-CG2 3.76Å; L456-V487 HydrophobicContact CD1-CG2 4.45Å; L456-L554 HydrophobicContact CD1-CD1 3.79Å; L456-L554 HydrophobicContact CD1-CD2 3.84Å; L456-L554 HydrophobicContact CD1-CG 4.37Å; L456-R558 HydrophobicContact CD1-CB 4.32Å; L456-R558 HydrophobicContact CD2-CB 4.35Å; L456-L560 HydrophobicContact CD2-CD2 4.47Å
457	N	98.4	Very high	95.1	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	108.1	176.7	-62.3	-76.1	0	0	0	109.4	L446 M449 T454 F459 N485 I486 V487	L446-N457 HydrophobicContact CD1-CB 4.22Å; M449-N457 WeakPolarHBondContact CB-OD1 3.44Å; M449-N457 HydrophobicContact CE-CB 4.48Å; M449-N457 WeakPolarHBondContact CE-OD1 3.26Å; T454-N457 PolarHBondContact OG1-ND2 2.87Å; T454-N457 PolarHBondContact OG1-OD1 2.83Å; N457-F459 HydrophobicContact CB-CE2 4.39Å; N457-N485 PolarHBondContact N-O 3.26Å; N457-N485 PolarHBondContact ND2-OD1 2.91Å; N457-I486 HydrophobicContact CB-CG1 4.24Å; N457-I486 CarbonylContact O-C 3.08Å; N457-I486 WeakPolarHBondContact O-CA 3.4Å; N457-V487 PolarHBondContact O-N 2.84Å
458	V	98.7	Very high	95.1	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.012	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	127.6	179.5	-170.2	0	0	0	0	110.4	G408 L409 L410 L456 L460 V487 L560	G408-V458 PolarHBondContact O-N 2.87Å; L409-V458 CarbonylContact C-O 3.48Å; L409-V458 WeakPolarHBondContact CA-O 3.31Å; L409-V458 HydrophobicContact CB-CB 4.29Å; L409-V458 HydrophobicContact CD1-CB 4.11Å; L409-V458 HydrophobicContact CD1-CG1 4.09Å; L409-V458 HydrophobicContact CG-CB 4.02Å; L409-V458 HydrophobicContact CG-CG1 4.26Å; L410-V458 PolarHBondContact N-O 2.67Å; L456-V458 HydrophobicContact CD1-CG2 4.34Å; L456-V458 HydrophobicContact CD2-CG2 3.77Å; L456-V458 HydrophobicContact CG-CG2 3.76Å; V458-L460 HydrophobicContact CG1-CD2 3.86Å; V458-L460 HydrophobicContact CG1-CG 3.96Å; V458-V487 CarbonylContact C-O 3.3Å; V458-V487 WeakPolarHBondContact CA-O 3.37Å; V458-L560 HydrophobicContact CG2-CD2 4.33Å
459	F	98.8	Very high	94.9	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	113.1	175.8	-73.9	-92.1	0	0	0	109.5	L410 V442 I445 L446 M449 N457 V487 F488 G489	L410-F459 HydrophobicContact CB-CD1 3.89Å; L410-F459 HydrophobicContact CB-CE1 4.01Å; L410-F459 HydrophobicContact CD2-CD1 3.82Å; L410-F459 HydrophobicContact CD2-CE1 3.65Å; L410-F459 HydrophobicContact CG-CD1 4.39Å; L410-F459 HydrophobicContact CG-CE1 4.47Å; L410-F459 WeakPolarHBondContact O-CA 3.39Å; V442-F459 HydrophobicContact CG1-CD1 3.27Å; V442-F459 HydrophobicContact CG1-CE1 3.43Å; V442-F459 VanDerWaalsContact CG1-CE1 3.43Å; V442-F459 HydrophobicContact CG1-CG 4.13Å; V442-F459 HydrophobicContact CG1-CZ 4.4Å; I445-F459 HydrophobicContact CB-CE1 4.42Å; I445-F459 HydrophobicContact CG2-CE1 4.34Å; I445-F459 HydrophobicContact CG2-CZ 4.45Å; L446-F459 HydrophobicContact CB-CE2 3.84Å; L446-F459 HydrophobicContact CB-CZ 3.72Å; L446-F459 HydrophobicContact CD1-CE2 3.81Å; L446-F459 HydrophobicContact CD1-CZ 4.45Å; L446-F459 HydrophobicContact CG-CE2 4.29Å; M449-F459 HydrophobicContact SD-CE1 4.21Å; M449-F459 HydrophobicContact SD-CE2 3.81Å; M449-F459 HydrophobicContact SD-CZ 3.33Å; M449-F459 WeakPolarHBondContact SD-CZ 3.2Å; N457-F459 HydrophobicContact CB-CE2 4.39Å; F459-V487 PolarHBondContact N-O 3.37Å; F459-F488 HydrophobicContact CB-CD1 3.41Å; F459-F488 VanDerWaalsContact CB-CD1 3.41Å; F459-F488 HydrophobicContact CB-CE1 3.57Å; F459-F488 HydrophobicContact CB-CG 4.05Å; F459-F488 HydrophobicContact CB-CZ 4.32Å; F459-F488 HydrophobicContact CD1-CE1 4.29Å; F459-F488 HydrophobicContact CD2-CE1 4.1Å; F459-F488 HydrophobicContact CD2-CE2 4.45Å; F459-F488 HydrophobicContact CD2-CZ 4.03Å; F459-F488 HydrophobicContact CG-CD1 4.1Å; F459-F488 AromaticContact CG-CE1 3.73Å; F459-F488 HydrophobicContact CG-CE1 3.73Å; F459-F488 HydrophobicContact CG-CZ 4.14Å; F459-F488 CarbonylContact O-C 3.59Å; F459-F488 VanDerWaalsContact O-CA 3.29Å; F459-F488 WeakPolarHBondContact O-CA 3.3Å; F459-G489 PolarHBondContact O-N 2.95Å
460	L	98.7	Very high	94.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	105.7	179.4	-60.6	-173.7	0	0	0	108.4	L409 L410 Y411 Y412 V458 G489 F511 L515 L529	L409-L460 HydrophobicContact CD1-CD1 4.32Å; L410-L460 PolarHBondContact O-N 3.16Å; Y411-L460 WeakPolarHBondContact CA-O 3.36Å; Y411-L460 HydrophobicContact CD2-CB 3.68Å; Y411-L460 WeakPolarHBondContact CD2-O 3.12Å; Y412-L460 PolarHBondContact N-O 3.21Å; V458-L460 HydrophobicContact CG1-CD2 3.86Å; V458-L460 HydrophobicContact CG1-CG 3.96Å; L460-G489 WeakPolarHBondContact CA-O 3.1Å; L460-F511 HydrophobicContact CB-CE1 4.24Å; L460-F511 HydrophobicContact CD2-CZ 4.33Å; L460-L515 HydrophobicContact CD1-CD2 3.97Å; L460-L529 HydrophobicContact CD2-CD1 4.24Å; L460-L529 HydrophobicContact CD2-CD2 4.2Å
461	L	98.3	Very high	94.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	98.4	-167.7	-61.6	175.4	0	0	0	110.6	V442 M463 F488 G489 Y490 A491	V442-L461 HydrophobicContact CG1-CD1 4.24Å; V442-L461 HydrophobicContact CG2-CD1 4.2Å; V442-L461 HydrophobicContact CG2-CD2 4.12Å; L461-M463 HydrophobicContact CB-CE 4.42Å; L461-M463 HydrophobicContact CB-CG 4.36Å; L461-M463 HydrophobicContact CD1-CE 4.2Å; L461-M463 PolarHBondContact O-N 2.71Å; L461-F488 HydrophobicContact CD1-CD1 4.08Å; L461-F488 HydrophobicContact CD1-CE1 4.28Å; L461-G489 PolarHBondContact N-O 2.8Å; L461-Y490 HydrophobicContact CB-CD1 4.11Å; L461-Y490 HydrophobicContact CD1-CD1 3.83Å; L461-Y490 HydrophobicContact CD1-CE1 3.55Å; L461-A491 WeakPolarHBondContact O-CB 3.39Å; L461-A491 PolarHBondContact O-N 3.37Å
462	D	97.6	Very high	93.9	Very high	15 Å²	15	40.2 Å²	40.2	8%	0.08	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	66.6	-179.9	-149.7	-11.5	0	0	0	110.7	Y411 Y412 A413 G414 A491 F511	Y411-D462 HydrophobicContact CE2-CB 3.87Å; Y411-D462 PolarHBondContact OH-OD2 3.23Å; Y412-D462 WeakPolarHBondContact O-CA 3.41Å; Y412-D462 WeakPolarHBondContact O-CB 3.2Å; Y412-D462 PolarHBondContact O-N 2.95Å; A413-D462 WeakPolarHBondContact CA-O 3.39Å; A413-D462 HydrophobicContact CB-CB 4.2Å; G414-D462 PolarHBondContact N-O 3.09Å; D462-A491 HydrophobicContact CB-CB 4.31Å; D462-A491 VanDerWaalsContact OD1-CB 3.26Å; D462-A491 WeakPolarHBondContact OD1-CB 3.35Å; D462-F511 HydrophobicContact CB-CD1 3.96Å; D462-F511 WeakPolarHBondContact OD2-CD1 3.25Å
463	M	94.9	Very high	93.5	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	159.6	-172.9	68.3	-174.6	-162.8	0	0	112	Y412 G414 M425 L461	Y412-M463 HydrophobicContact CD1-CB 4.12Å; Y412-M463 HydrophobicContact CD1-CG 4.32Å; Y412-M463 HydrophobicContact CD1-SD 3.57Å; Y412-M463 VanDerWaalsContact CD1-SD 3.57Å; Y412-M463 HydrophobicContact CE1-CB 3.97Å; Y412-M463 HydrophobicContact CE1-CG 4.44Å; Y412-M463 HydrophobicContact CE1-SD 3.69Å; G414-M463 WeakPolarHBondContact O-CA 3.35Å; G414-M463 WeakPolarHBondContact O-CB 3.2Å; M425-M463 HydrophobicContact CG-SD 4.15Å; L461-M463 HydrophobicContact CB-CE 4.42Å; L461-M463 HydrophobicContact CB-CG 4.36Å; L461-M463 HydrophobicContact CD1-CE 4.2Å; L461-M463 PolarHBondContact O-N 2.71Å
464	C	90.4	Very high	92.7	Very high	28 Å²	28	39.6 Å²	39.6	19%	0.189	19%	0.194	C	C	.	.			trans	-61	151.3	169.7	-68.1	0	0	0	0	111.7	G416 Y417 A498	G416-C464 CarbonylContact C-O 3.45Å; G416-C464 CarbonylContact O-C 3.32Å; Y417-C464 PolarHBondContact N-O 3.09Å; C464-A498 PolarHBondContact SG-N 3.48Å
465	R	92	Very high	91.6	Very high	1 Å²	1	41.3 Å²	41.3	0%	0.004	21%	0.205	C	C	.	.			trans	-130	28.5	179.2	-66.3	174.3	67.8	-147.8	-4	112.2	E418 Y490 T492 G495 A496 E549	E418-R465 HydrophobicContact CB-CB 4.11Å; E418-R465 VanDerWaalsContact CD-NH2 3.29Å; E418-R465 IonicContact OE1-CZ 2.7Å; E418-R465 IonicContact OE1-NE 2.65Å; E418-R465 IonicContact OE1-NH2 2.81Å; E418-R465 PolarHBondContact OE1-NH2 3.31Å; E418-R465 IonicContact OE2-CZ 3.2Å; E418-R465 IonicContact OE2-NE 2.65Å; E418-R465 PolarHBondContact OE2-NE 3.42Å; E418-R465 IonicContact OE2-NH2 2.73Å; E418-R465 PolarHBondContact OE2-NH2 2.72Å; R465-Y490 VanDerWaalsContact NE-CD1 3.29Å; R465-T492 HydrophobicContact CB-CG2 4.23Å; R465-T492 WeakPolarHBondContact CD-O 3.18Å; R465-T492 HydrophobicContact CG-CG2 4.19Å; R465-T492 PolarHBondContact NH1-O 3Å; R465-G495 VanDerWaalsContact O-CA 3.27Å; R465-G495 WeakPolarHBondContact O-CA 3.14Å; R465-G495 PolarHBondContact O-N 3.32Å; R465-A496 PolarHBondContact N-O 3.03Å; R465-E549 IonicContact CZ-OE2 3.75Å; R465-E549 IonicContact NH1-OE2 3.54Å; R465-E549 PolarHBondContact NH1-OE2 3.4Å; R465-E549 IonicContact NH2-OE2 2.7Å; R465-E549 PolarHBondContact NH2-OE2 3.42Å
466	K	88.6	Confident	90.5	Very high	93 Å²	93	48.7 Å²	48.7	40%	0.404	24%	0.241	S	C	.	.			trans	-63.6	157.9	167.9	-78.4	179.1	165.9	173.1	0	110.4	Y417 E418 G495 E497	Y417-K466 CarbonylContact C-O 3.2Å; Y417-K466 WeakPolarHBondContact CA-O 3.39Å; Y417-K466 VanDerWaalsContact CB-O 3.29Å; Y417-K466 WeakPolarHBondContact CB-O 3.49Å; E418-K466 PolarHBondContact N-O 2.95Å; K466-G495 WeakPolarHBondContact CG-O 3.48Å; K466-E497 HydrophobicContact CD-CG 3.95Å; K466-E497 VanDerWaalsContact CE-CG 3.48Å; K466-E497 HydrophobicContact CG-CG 4.5Å; K466-E497 IonicContact NZ-OE1 2.79Å; K466-E497 PolarHBondContact NZ-OE1 3.25Å; K466-E497 IonicContact NZ-OE2 2.73Å; K466-E497 PolarHBondContact NZ-OE2 3.33Å
467	R	90.5	Very high	89.5	Confident	115 Å²	115	50.9 Å²	50.9	43%	0.434	25%	0.252	S	S	.	.			trans	-71.1	141	170	-170.4	-176.8	168.9	74.8	15.8	109.3	N419 D469	N419-R467 WeakPolarHBondContact OD1-CA 3.19Å; N419-R467 WeakPolarHBondContact OD1-CG 3.44Å; R467-D469 WeakPolarHBondContact CD-OD1 3.29Å; R467-D469 IonicContact NE-OD1 2.82Å; R467-D469 PolarHBondContact NE-OD1 2.82Å
468	N	93.6	Very high	88.5	Confident	14 Å²	14	56 Å²	56	8%	0.075	28%	0.28	C	S	.	.			trans	-95	113.1	164	179.1	7.2	0	0	0	108.7	Y417 N419 Y434 Y470 D471	Y417-N468 HydrophobicContact CD1-CB 4.37Å; Y417-N468 HydrophobicContact CD2-CB 3.38Å; Y417-N468 HydrophobicContact CE2-CB 3.68Å; Y417-N468 HydrophobicContact CG-CB 3.74Å; N419-N468 PolarHBondContact ND2-O 3.14Å; N419-N468 PolarHBondContact OD1-N 3.28Å; Y434-N468 PolarHBondContact O-ND2 3.3Å; N468-Y470 VanDerWaalsContact C-N 3.31Å; N468-Y470 PolarHBondContact OD1-N 3.16Å; N468-D471 HydrophobicContact CB-CB 4.26Å; N468-D471 PolarHBondContact O-N 3.05Å
469	D	90.4	Very high	87.6	Confident	120 Å²	120	60.8 Å²	60.8	64%	0.642	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-10.4	-177.9	-64.3	-40.6	0	0	0	113.8	R467	R467-D469 WeakPolarHBondContact CD-OD1 3.29Å; R467-D469 IonicContact NE-OD1 2.82Å; R467-D469 PolarHBondContact NE-OD1 2.82Å
470	Y	92.1	Very high	86.9	Confident	141 Å²	141	64 Å²	64	55%	0.553	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-13.9	173.2	-62.9	-81.9	0	0	0	113.3	P433 R435 N468 D472	P433-Y470 HydrophobicContact CB-CD1 3.74Å; P433-Y470 HydrophobicContact CB-CD2 3.63Å; P433-Y470 HydrophobicContact CB-CE1 4.06Å; P433-Y470 HydrophobicContact CB-CE2 3.96Å; P433-Y470 HydrophobicContact CB-CG 3.5Å; P433-Y470 HydrophobicContact CG-CD1 3.79Å; P433-Y470 HydrophobicContact CG-CE1 4.03Å; P433-Y470 HydrophobicContact CG-CG 4.08Å; R435-Y470 WeakPolarHBondContact CG-O 3.42Å; R435-Y470 PolarHBondContact NE-O 3.45Å; N468-Y470 VanDerWaalsContact C-N 3.31Å; N468-Y470 PolarHBondContact OD1-N 3.16Å; Y470-D472 PolarHBondContact O-N 3.21Å
471	D	89.3	Confident	86	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	36%	0.363	C	S	.	.			trans	-92.3	91.2	175.2	172.1	39	0	0	0	110.2	Y417 N419 S436 N468 T473	Y417-D471 HydrophobicContact CE2-CB 4.31Å; N419-D471 WeakPolarHBondContact ND2-CB 3.48Å; N419-D471 PolarHBondContact ND2-O 3.48Å; N419-D471 PolarHBondContact ND2-OD2 2.98Å; S436-D471 PolarHBondContact OG-OD1 3.09Å; N468-D471 HydrophobicContact CB-CB 4.26Å; N468-D471 PolarHBondContact O-N 3.05Å; D471-T473 PolarHBondContact O-N 2.92Å; D471-T473 WeakPolarHBondContact OD1-CB 3.32Å; D471-T473 WeakPolarHBondContact OD1-CG2 3.35Å; D471-T473 PolarHBondContact OD1-N 2.91Å; D471-T473 PolarHBondContact OD1-OG1 3.21Å
472	D	81.9	Confident	85.5	Confident	114 Å²	114	77 Å²	77	61%	0.61	41%	0.405	S	S	*	.			trans	-73.8	-2.3	176.2	-58.5	-61	0	0	0	113.1	R435 Y470	R435-D472 IonicContact CZ-OD2 2.72Å; R435-D472 IonicContact NH2-OD2 3.6Å; R435-D472 PolarHBondContact NH2-OD2 3.25Å; Y470-D472 PolarHBondContact O-N 3.21Å
473	T	84.4	Confident	84.8	Confident	51 Å²	51	78.7 Å²	78.7	31%	0.313	42%	0.415	S	S	.	.			trans	-73.4	135.5	-175.3	70.1	0	0	0	0	111.5	F420 S436 D471 P475	F420-T473 WeakPolarHBondContact CE2-O 3.4Å; S436-T473 WeakPolarHBondContact OG-CG2 3.44Å; S436-T473 PolarHBondContact OG-OG1 2.96Å; D471-T473 PolarHBondContact O-N 2.92Å; D471-T473 WeakPolarHBondContact OD1-CB 3.32Å; D471-T473 WeakPolarHBondContact OD1-CG2 3.35Å; D471-T473 PolarHBondContact OD1-N 2.91Å; D471-T473 PolarHBondContact OD1-OG1 3.21Å; T473-P475 VanDerWaalsContact C-CD 3.5Å; T473-P475 VanDerWaalsContact O-CD 3.25Å; T473-P475 WeakPolarHBondContact O-CD 3.27Å
474	I	77.8	Confident	84.4	Confident	121 Å²	121	80 Å²	80	62%	0.621	43%	0.426	S	S	*	.			trans	-111.5	85.1	171	-53.7	178.8	0	0	0	106.4	F420 I476	F420-I474 HydrophobicContact CE2-CG1 3.83Å; F420-I474 HydrophobicContact CZ-CD1 4.39Å; F420-I474 HydrophobicContact CZ-CG1 3.96Å; I474-I476 PolarHBondContact O-N 2.82Å; I474-I476 VanDerWaalsContact O-N 3.16Å
475	P	74.1	Confident	84.6	Confident	41 Å²	41	79.2 Å²	79.2	27%	0.266	42%	0.42	S	S	.	.			trans	-73	112	-173.9	30.4	-36.1	0	0	0	110.3	N422 F424 T473 L477	N422-P475 HydrophobicContact CB-CG 4.49Å; F424-P475 HydrophobicContact CZ-CG 4.46Å; T473-P475 VanDerWaalsContact C-CD 3.5Å; T473-P475 VanDerWaalsContact O-CD 3.25Å; T473-P475 WeakPolarHBondContact O-CD 3.27Å; P475-L477 HydrophobicContact CB-CD1 3.73Å; P475-L477 HydrophobicContact CG-CD1 4.37Å; P475-L477 PolarHBondContact O-N 2.99Å
476	I	72.3	Confident	84.9	Confident	164 Å²	164	79.9 Å²	79.9	84%	0.841	42%	0.424	S	S	*	.			trans	-85.7	89.7	171.3	-53.2	175.6	0	0	0	107.1	I474	I474-I476 PolarHBondContact O-N 2.82Å; I474-I476 VanDerWaalsContact O-N 3.16Å
477	L	76.4	Confident	85.3	Confident	47 Å²	47	75.5 Å²	75.5	25%	0.246	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-74.4	148	170.3	-82.5	68.3	0	0	0	109.6	Q443 N444 P475	Q443-L477 HydrophobicContact CB-CD2 3.48Å; Q443-L477 VanDerWaalsContact CB-CD2 3.48Å; N444-L477 WeakPolarHBondContact OD1-CD2 3.38Å; P475-L477 HydrophobicContact CB-CD1 3.73Å; P475-L477 HydrophobicContact CG-CD1 4.37Å; P475-L477 PolarHBondContact O-N 2.99Å
478	D	77.9	Confident	85.7	Confident	109 Å²	109	70.8 Å²	70.8	58%	0.583	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-56.6	147.5	167.1	-60.7	-50.9	0	0	0	110.4	K447 L480	K447-D478 IonicContact NZ-OD2 3.48Å; K447-D478 PolarHBondContact NZ-OD2 3.4Å; D478-L480 PolarHBondContact O-N 3.17Å; D478-L480 VanDerWaalsContact O-N 3.15Å
479	A	80.1	Confident	85.9	Confident	102 Å²	102	70.1 Å²	70.1	84%	0.843	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-57.9	121.4	173.1	0	0	0	0	0	110.5
480	L	82.8	Confident	86.1	Confident	67 Å²	67	64.5 Å²	64.5	35%	0.351	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-58.4	146.1	175.3	-65.3	170.4	0	0	0	110.3	L446 K447 D478	L446-L480 HydrophobicContact CD2-CD1 3.65Å; L446-L480 HydrophobicContact CG-CD1 4.33Å; L446-L480 HydrophobicContact CG-CD2 4.37Å; K447-L480 HydrophobicContact CB-CD2 3.88Å; K447-L480 HydrophobicContact CG-CD2 4.46Å; D478-L480 PolarHBondContact O-N 3.17Å; D478-L480 VanDerWaalsContact O-N 3.15Å
481	K	81.6	Confident	86.1	Confident	130 Å²	130	57.8 Å²	57.8	57%	0.565	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-65.1	147.3	176.8	-68.1	177.5	-177.4	171.1	0	109.3	Q450 T483	Q450-K481 PolarHBondContact NE2-O 2.7Å; K481-T483 VanDerWaalsContact C-N 3.3Å; K481-T483 HydrophobicContact CB-CG2 4.06Å; K481-T483 PolarHBondContact O-N 2.75Å
482	V	86.4	Confident	86	Confident	144 Å²	144	57.8 Å²	57.8	87%	0.873	33%	0.327	S	S	*	.			trans	-83.4	79.6	173.5	-173.4	0	0	0	0	108.8
483	T	82.8	Confident	85.9	Confident	49 Å²	49	54.7 Å²	54.7	30%	0.301	31%	0.314	S	S	.	.			trans	-85.9	-7.3	178.7	55.9	0	0	0	0	113.7	Q450 K481 N485	Q450-T483 HydrophobicContact CB-CG2 4.42Å; Q450-T483 HydrophobicContact CG-CG2 4.14Å; Q450-T483 PolarHBondContact NE2-OG1 3.07Å; K481-T483 VanDerWaalsContact C-N 3.3Å; K481-T483 HydrophobicContact CB-CG2 4.06Å; K481-T483 PolarHBondContact O-N 2.75Å; T483-N485 VanDerWaalsContact CB-OD1 3.23Å; T483-N485 WeakPolarHBondContact CB-OD1 3.4Å; T483-N485 PolarHBondContact O-N 2.63Å; T483-N485 VanDerWaalsContact O-N 3.09Å; T483-N485 PolarHBondContact OG1-OD1 3.01Å
484	A	87.9	Confident	85.6	Confident	29 Å²	29	57.1 Å²	57.1	24%	0.24	32%	0.322	C	S	.	.	S	Bend	trans	49.8	33.9	177.1	0	0	0	0	0	115.2	S553 L554 S555	A484-S553 CarbonylContact C-O 3.22Å; A484-S553 WeakPolarHBondContact CA-O 3.47Å; A484-S553 VanDerWaalsContact O-O 3.14Å; A484-L554 CarbonylContact O-C 3.58Å; A484-L554 VanDerWaalsContact O-CA 3.26Å; A484-L554 WeakPolarHBondContact O-CA 3.26Å; A484-S555 PolarHBondContact O-N 2.87Å; A484-S555 PolarHBondContact O-OG 3.14Å
485	N	94.8	Very high	85.4	Confident	11 Å²	11	53.6 Å²	53.6	6%	0.059	32%	0.315	C	S	.	.			trans	-145.5	27.5	-173.5	71.1	-6.1	0	0	0	114	T454 G455 N457 T483 L554	T454-N485 PolarHBondContact O-ND2 3.32Å; G455-N485 WeakPolarHBondContact O-CB 3.49Å; G455-N485 PolarHBondContact O-ND2 2.94Å; N457-N485 PolarHBondContact N-O 3.26Å; N457-N485 PolarHBondContact ND2-OD1 2.91Å; T483-N485 VanDerWaalsContact CB-OD1 3.23Å; T483-N485 WeakPolarHBondContact CB-OD1 3.4Å; T483-N485 PolarHBondContact O-N 2.63Å; T483-N485 VanDerWaalsContact O-N 3.09Å; T483-N485 PolarHBondContact OG1-OD1 3.01Å; N485-L554 HydrophobicContact CB-CD1 4.27Å
486	I	97.4	Very high	85.6	Confident	16 Å²	16	52.9 Å²	52.9	8%	0.082	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	135.5	-176.7	-53.5	157.9	0	0	0	109.6	L446 N457 F488 S552 S553 L554	L446-I486 HydrophobicContact CD1-CD1 3.89Å; L446-I486 HydrophobicContact CD1-CG1 3.86Å; L446-I486 HydrophobicContact CD1-CG2 4Å; L446-I486 HydrophobicContact CD2-CD1 4.15Å; L446-I486 HydrophobicContact CD2-CG2 4.04Å; N457-I486 HydrophobicContact CB-CG1 4.24Å; N457-I486 CarbonylContact O-C 3.08Å; N457-I486 WeakPolarHBondContact O-CA 3.4Å; I486-F488 HydrophobicContact CG2-CD2 3.9Å; I486-F488 HydrophobicContact CG2-CE2 3.61Å; I486-S552 CarbonylContact O-C 3.53Å; I486-S552 WeakPolarHBondContact O-CA 3.36Å; I486-S552 PolarHBondContact O-OG 2.81Å; I486-S553 WeakPolarHBondContact CB-OG 3.39Å; I486-S553 PolarHBondContact N-OG 3.08Å; I486-S553 PolarHBondContact O-N 2.97Å; I486-L554 PolarHBondContact O-N 2.77Å
487	V	97.9	Very high	85.9	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	121.4	175.7	-172.8	0	0	0	0	109.4	L456 N457 V458 F459 I525 T526 L529 L554	L456-V487 HydrophobicContact CD1-CG2 4.45Å; N457-V487 PolarHBondContact O-N 2.84Å; V458-V487 CarbonylContact C-O 3.3Å; V458-V487 WeakPolarHBondContact CA-O 3.37Å; F459-V487 PolarHBondContact N-O 3.37Å; V487-I525 HydrophobicContact CG2-CG2 3.93Å; V487-T526 HydrophobicContact CG1-CG2 4.28Å; V487-T526 HydrophobicContact CG2-CG2 4.06Å; V487-L529 HydrophobicContact CG1-CD1 3.78Å; V487-L554 HydrophobicContact CG2-CB 3.67Å; V487-L554 HydrophobicContact CG2-CD2 3.84Å; V487-L554 HydrophobicContact CG2-CG 4.37Å
488	F	98.1	Very high	85.7	Confident	16 Å²	16	47.4 Å²	47.4	7%	0.07	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	127.7	166.3	-72.1	-98.6	0	0	0	109.7	V442 L446 F459 L461 I486 Y490 I550 R551	V442-F488 HydrophobicContact CG1-CE1 3.94Å; L446-F488 HydrophobicContact CD2-CE2 3.81Å; L446-F488 HydrophobicContact CD2-CZ 3.8Å; F459-F488 HydrophobicContact CB-CD1 3.41Å; F459-F488 VanDerWaalsContact CB-CD1 3.41Å; F459-F488 HydrophobicContact CB-CE1 3.57Å; F459-F488 HydrophobicContact CB-CG 4.05Å; F459-F488 HydrophobicContact CB-CZ 4.32Å; F459-F488 HydrophobicContact CD1-CE1 4.29Å; F459-F488 HydrophobicContact CD2-CE1 4.1Å; F459-F488 HydrophobicContact CD2-CE2 4.45Å; F459-F488 HydrophobicContact CD2-CZ 4.03Å; F459-F488 HydrophobicContact CG-CD1 4.1Å; F459-F488 AromaticContact CG-CE1 3.73Å; F459-F488 HydrophobicContact CG-CE1 3.73Å; F459-F488 HydrophobicContact CG-CZ 4.14Å; F459-F488 CarbonylContact O-C 3.59Å; F459-F488 VanDerWaalsContact O-CA 3.29Å; F459-F488 WeakPolarHBondContact O-CA 3.3Å; L461-F488 HydrophobicContact CD1-CD1 4.08Å; L461-F488 HydrophobicContact CD1-CE1 4.28Å; I486-F488 HydrophobicContact CG2-CD2 3.9Å; I486-F488 HydrophobicContact CG2-CE2 3.61Å; F488-Y490 HydrophobicContact CB-CD2 3.92Å; F488-Y490 HydrophobicContact CB-CE2 3.36Å; F488-Y490 HydrophobicContact CD1-CE1 4.11Å; F488-Y490 HydrophobicContact CD1-CE2 4Å; F488-Y490 AromaticContact CD1-CZ 3.55Å; F488-Y490 VanDerWaalsContact CD1-OH 3.24Å; F488-Y490 WeakPolarHBondContact CD1-OH 3.14Å; F488-Y490 AromaticContact CG-CE2 3.86Å; F488-Y490 HydrophobicContact CG-CE2 3.86Å; F488-Y490 AromaticContact CG-CZ 3.86Å; F488-I550 WeakPolarHBondContact O-CA 3.49Å; F488-R551 HydrophobicContact CB-CB 4.27Å; F488-R551 PolarHBondContact N-O 2.81Å; F488-R551 PolarHBondContact O-N 2.78Å
489	G	97.1	Very high	85.6	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	104.9	161.5	0	0	0	0	0	108.9	F459 L460 L461	F459-G489 PolarHBondContact O-N 2.95Å; L460-G489 WeakPolarHBondContact CA-O 3.1Å; L461-G489 PolarHBondContact N-O 2.8Å
490	Y	95.9	Very high	85.4	Confident	3 Å²	3	42.9 Å²	42.9	1%	0.012	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	127.3	174.9	-59.4	-90.1	0	0	0	109.4	L461 R465 F488 T492 L548 E549 R551	L461-Y490 HydrophobicContact CB-CD1 4.11Å; L461-Y490 HydrophobicContact CD1-CD1 3.83Å; L461-Y490 HydrophobicContact CD1-CE1 3.55Å; R465-Y490 VanDerWaalsContact NE-CD1 3.29Å; F488-Y490 HydrophobicContact CB-CD2 3.92Å; F488-Y490 HydrophobicContact CB-CE2 3.36Å; F488-Y490 HydrophobicContact CD1-CE1 4.11Å; F488-Y490 HydrophobicContact CD1-CE2 4Å; F488-Y490 AromaticContact CD1-CZ 3.55Å; F488-Y490 VanDerWaalsContact CD1-OH 3.24Å; F488-Y490 WeakPolarHBondContact CD1-OH 3.14Å; F488-Y490 AromaticContact CG-CE2 3.86Å; F488-Y490 HydrophobicContact CG-CE2 3.86Å; F488-Y490 AromaticContact CG-CZ 3.86Å; Y490-T492 WeakPolarHBondContact CB-O 3.21Å; Y490-T492 PolarHBondContact O-N 3.18Å; Y490-T492 VanDerWaalsContact O-N 3.07Å; Y490-L548 WeakPolarHBondContact O-CA 3.32Å; Y490-E549 HydrophobicContact CD2-CB 4.44Å; Y490-E549 WeakPolarHBondContact CD2-O 3.36Å; Y490-E549 PolarHBondContact N-O 2.87Å; Y490-E549 PolarHBondContact O-N 3.45Å; Y490-R551 HydrophobicContact CE2-CB 4.31Å; Y490-R551 HydrophobicContact CE2-CG 3.98Å
491	A	91.5	Very high	85	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.242	C	C	.	.	S	Bend	trans	-60.8	-19.3	179	0	0	0	0	0	114.1	L461 D462 A498 F511 Q546	L461-A491 WeakPolarHBondContact O-CB 3.39Å; L461-A491 PolarHBondContact O-N 3.37Å; D462-A491 HydrophobicContact CB-CB 4.31Å; D462-A491 VanDerWaalsContact OD1-CB 3.26Å; D462-A491 WeakPolarHBondContact OD1-CB 3.35Å; A491-A498 HydrophobicContact CB-CB 4.32Å; A491-F511 HydrophobicContact CB-CB 3.58Å; A491-F511 HydrophobicContact CB-CD1 3.81Å; A491-F511 HydrophobicContact CB-CG 3.8Å; A491-Q546 WeakPolarHBondContact O-CG 3.3Å; A491-Q546 PolarHBondContact O-NE2 2.84Å
492	T	87.7	Confident	83.9	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	-144	160.1	178	-157.4	0	0	0	0	111.5	R465 Y490 A496 E497 A498 A547	R465-T492 HydrophobicContact CB-CG2 4.23Å; R465-T492 WeakPolarHBondContact CD-O 3.18Å; R465-T492 HydrophobicContact CG-CG2 4.19Å; R465-T492 PolarHBondContact NH1-O 3Å; Y490-T492 WeakPolarHBondContact CB-O 3.21Å; Y490-T492 PolarHBondContact O-N 3.18Å; Y490-T492 VanDerWaalsContact O-N 3.07Å; T492-A496 HydrophobicContact CG2-CB 4.34Å; T492-A496 VanDerWaalsContact OG1-CB 3.3Å; T492-A496 WeakPolarHBondContact OG1-CB 3.43Å; T492-E497 VanDerWaalsContact CB-O 3.24Å; T492-E497 WeakPolarHBondContact CB-O 3.29Å; T492-E497 PolarHBondContact OG1-O 3.18Å; T492-A498 HydrophobicContact CG2-CB 4.41Å; T492-A547 CarbonylContact C-O 3.48Å; T492-A547 VanDerWaalsContact C-O 3.3Å; T492-A547 WeakPolarHBondContact CA-O 3.35Å
493	C	78.2	Confident	82.5	Confident	49 Å²	49	45.7 Å²	45.7	33%	0.331	25%	0.248	S	C	.	.			trans	-70.8	160.2	176.2	-60.2	0	0	0	0	112.4	G495 A496 A547	C493-G495 PolarHBondContact O-N 2.8Å; C493-A496 WeakPolarHBondContact O-CB 3.47Å; C493-A496 PolarHBondContact O-N 3.02Å; C493-A547 PolarHBondContact N-O 3.33Å; C493-A547 VanDerWaalsContact N-O 3.17Å; C493-A547 PolarHBondContact SG-O 3.33Å; C493-A547 VanDerWaalsContact SG-O 3.4Å
494	Q	78.6	Confident	81.1	Confident	101 Å²	101	45.6 Å²	45.6	47%	0.472	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	130.7	172.9	-170.7	171.3	3.8	0	0	111.7	E418 A496 E549	E418-Q494 WeakPolarHBondContact OE1-CG 3.49Å; E418-Q494 PolarHBondContact OE1-NE2 2.97Å; Q494-A496 VanDerWaalsContact C-N 3.34Å; Q494-E549 PolarHBondContact N-OE2 2.8Å; Q494-E549 VanDerWaalsContact N-OE2 3.16Å
495	G	74	Confident	80	Confident	47 Å²	47	47.1 Å²	47.1	49%	0.485	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	-6.2	-176.3	0	0	0	0	0	115.6	R465 K466 C493	R465-G495 VanDerWaalsContact O-CA 3.27Å; R465-G495 WeakPolarHBondContact O-CA 3.14Å; R465-G495 PolarHBondContact O-N 3.32Å; K466-G495 WeakPolarHBondContact CG-O 3.48Å; C493-G495 PolarHBondContact O-N 2.8Å
496	A	77.6	Confident	79.1	Confident	26 Å²	26	51.2 Å²	51.2	22%	0.215	29%	0.289	C	S	.	.			trans	-102.9	175.8	-176.8	0	0	0	0	0	113.6	R465 T492 C493 Q494	R465-A496 PolarHBondContact N-O 3.03Å; T492-A496 HydrophobicContact CG2-CB 4.34Å; T492-A496 VanDerWaalsContact OG1-CB 3.3Å; T492-A496 WeakPolarHBondContact OG1-CB 3.43Å; C493-A496 WeakPolarHBondContact O-CB 3.47Å; C493-A496 PolarHBondContact O-N 3.02Å; Q494-A496 VanDerWaalsContact C-N 3.34Å
497	E	79.1	Confident	78.5	Confident	75 Å²	75	52.1 Å²	52.1	35%	0.35	30%	0.299	S	S	.	.			trans	-103.3	150.8	178.2	-65	178.1	135.1	0	0	110.9	K466 T492 F499	K466-E497 HydrophobicContact CD-CG 3.95Å; K466-E497 VanDerWaalsContact CE-CG 3.48Å; K466-E497 HydrophobicContact CG-CG 4.5Å; K466-E497 IonicContact NZ-OE1 2.79Å; K466-E497 PolarHBondContact NZ-OE1 3.25Å; K466-E497 IonicContact NZ-OE2 2.73Å; K466-E497 PolarHBondContact NZ-OE2 3.33Å; T492-E497 VanDerWaalsContact CB-O 3.24Å; T492-E497 WeakPolarHBondContact CB-O 3.29Å; T492-E497 PolarHBondContact OG1-O 3.18Å; E497-F499 HydrophobicContact CB-CD2 4.4Å; E497-F499 HydrophobicContact CB-CE1 4.35Å; E497-F499 HydrophobicContact CB-CE2 3.67Å; E497-F499 HydrophobicContact CB-CZ 3.64Å; E497-F499 HydrophobicContact CG-CZ 4.47Å
498	A	72.9	Confident	78.1	Confident	22 Å²	22	52.8 Å²	52.8	18%	0.182	30%	0.303	C	S	.	.			trans	-101.3	139.7	163.8	0	0	0	0	0	108.2	C464 A491 T492	C464-A498 PolarHBondContact SG-N 3.48Å; A491-A498 HydrophobicContact CB-CB 4.32Å; T492-A498 HydrophobicContact CG2-CB 4.41Å
499	F	75.1	Confident	77.6	Confident	70 Å²	70	52.2 Å²	52.2	31%	0.307	30%	0.301	S	S	.	.			trans	-116.8	140.8	-172.2	-66.3	-87.7	0	0	0	113	E497 I510 K545 Q546	E497-F499 HydrophobicContact CB-CD2 4.4Å; E497-F499 HydrophobicContact CB-CE1 4.35Å; E497-F499 HydrophobicContact CB-CE2 3.67Å; E497-F499 HydrophobicContact CB-CZ 3.64Å; E497-F499 HydrophobicContact CG-CZ 4.47Å; F499-I510 WeakPolarHBondContact O-CG1 3.34Å; F499-I510 PolarHBondContact O-N 2.92Å; F499-K545 HydrophobicContact CD2-CB 4.46Å; F499-K545 HydrophobicContact CE2-CB 3.8Å; F499-K545 HydrophobicContact CZ-CB 4.4Å; F499-K545 HydrophobicContact CZ-CD 4.48Å; F499-Q546 HydrophobicContact CD2-CB 4.11Å
500	E	76.9	Confident	77.3	Confident	46 Å²	46	52.3 Å²	52.3	22%	0.215	30%	0.302	C	S	.	.			trans	-108	155	162.9	59.2	167.8	-142.9	0	0	111.2	K360 A361 Q502	K360-E500 PolarHBondContact N-OE1 2.8Å; K360-E500 PolarHBondContact N-OE2 3.06Å; A361-E500 HydrophobicContact CB-CB 3.69Å; A361-E500 WeakPolarHBondContact CB-OE2 3.32Å; A361-E500 PolarHBondContact N-OE2 3.15Å; E500-Q502 PolarHBondContact O-N 2.93Å
501	I	73.6	Confident	77.2	Confident	63 Å²	63	52.2 Å²	52.2	32%	0.323	30%	0.301	S	S	.	.			trans	-89.6	100.2	-177.7	-55.8	176.6	0	0	0	109.7	H503 S504 I510 L541	I501-H503 PolarHBondContact O-N 2.83Å; I501-S504 WeakPolarHBondContact CB-OG 3.43Å; I501-S504 VanDerWaalsContact CG2-OG 3.29Å; I501-S504 WeakPolarHBondContact CG2-OG 3.07Å; I501-S504 PolarHBondContact O-N 2.71Å; I501-S504 PolarHBondContact O-OG 3.41Å; I501-I510 HydrophobicContact CD1-CD1 4.06Å; I501-I510 HydrophobicContact CG1-CD1 4.14Å; I501-L541 HydrophobicContact CD1-CD2 4.13Å; I501-L541 HydrophobicContact CG1-CD2 4.22Å
502	Q	58.8	Low	77.3	Confident	154 Å²	154	52.2 Å²	52.2	72%	0.72	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-16.4	-170.5	-67	-177.3	-9.4	0	0	116.9	E500	E500-Q502 PolarHBondContact O-N 2.93Å
503	H	56.3	Low	77.6	Confident	183 Å²	183	56.5 Å²	56.5	85%	0.847	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	-0.1	-172.6	-67.9	-33.2	0	0	0	115.6	I501	I501-H503 PolarHBondContact O-N 2.83Å
504	S	53.6	Low	78.4	Confident	46 Å²	46	55.7 Å²	55.7	32%	0.322	31%	0.311	S	S	.	.			trans	-120.3	92.6	-178.6	46.7	0	0	0	0	110	I501 L506 A507	I501-S504 WeakPolarHBondContact CB-OG 3.43Å; I501-S504 VanDerWaalsContact CG2-OG 3.29Å; I501-S504 WeakPolarHBondContact CG2-OG 3.07Å; I501-S504 PolarHBondContact O-N 2.71Å; I501-S504 PolarHBondContact O-OG 3.41Å; S504-L506 PolarHBondContact O-N 2.89Å; S504-A507 PolarHBondContact O-N 2.65Å; S504-A507 WeakPolarHBondContact OG-CB 3.41Å
505	G	65	Low	79.3	Confident	62 Å²	62	50.9 Å²	50.9	64%	0.639	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-18.1	-164.5	0	0	0	0	0	117.1
506	L	75.5	Confident	80.4	Confident	96 Å²	96	51.2 Å²	51.2	50%	0.503	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	28.4	175.2	-64	173	0	0	0	112.2	V364 S504 Y657	V364-L506 HydrophobicContact CG2-CD2 4.18Å; S504-L506 PolarHBondContact O-N 2.89Å; L506-Y657 HydrophobicContact CD2-CD2 4.18Å; L506-Y657 HydrophobicContact CD2-CG 3.97Å
507	A	85.4	Confident	81.3	Confident	35 Å²	35	55.4 Å²	55.4	29%	0.289	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-93	149.9	170.7	0	0	0	0	0	111.2	S504	S504-A507 PolarHBondContact O-N 2.65Å; S504-A507 WeakPolarHBondContact OG-CB 3.41Å
508	N	88.4	Confident	82.1	Confident	15 Å²	15	54 Å²	54	8%	0.08	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-62.6	157.5	172.1	-62.5	103.7	0	0	0	114	D365 E368 M512 K513 K516	D365-N508 WeakPolarHBondContact OD1-CA 3.27Å; D365-N508 WeakPolarHBondContact OD1-CB 2.99Å; D365-N508 PolarHBondContact OD1-ND2 3.02Å; E368-N508 VanDerWaalsContact OE2-CG 3.31Å; E368-N508 PolarHBondContact OE2-ND2 2.83Å; E368-N508 PolarHBondContact OE2-OD1 3.02Å; N508-M512 HydrophobicContact CB-CB 4.24Å; N508-K513 HydrophobicContact CB-CB 4.04Å; N508-K516 PolarHBondContact OD1-NZ 3.48Å
509	G	88.2	Confident	83.3	Confident	3 Å²	3	53 Å²	53	3%	0.031	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-60	157.5	156.1	0	0	0	0	0	111	D365 F511 M512 K513	D365-G509 PolarHBondContact OD1-N 3.44Å; D365-G509 WeakPolarHBondContact OD2-CA 3.35Å; D365-G509 PolarHBondContact OD2-N 3.08Å; G509-F511 VanDerWaalsContact C-N 3.27Å; G509-F511 PolarHBondContact O-N 2.92Å; G509-M512 PolarHBondContact O-N 2.94Å; G509-K513 VanDerWaalsContact O-CB 3.31Å; G509-K513 WeakPolarHBondContact O-CB 3.23Å; G509-K513 PolarHBondContact O-N 3.44Å
510	I	90.5	Very high	84.4	Confident	3 Å²	3	53.3 Å²	53.3	2%	0.015	28%	0.283	C	S	.	.	H	α-helix	trans	-61.3	-36.4	-173	-64.4	-68.2	0	0	0	112.2	F499 I501 K513 F514 M536 L541 T542	F499-I510 WeakPolarHBondContact O-CG1 3.34Å; F499-I510 PolarHBondContact O-N 2.92Å; I501-I510 HydrophobicContact CD1-CD1 4.06Å; I501-I510 HydrophobicContact CG1-CD1 4.14Å; I510-K513 WeakPolarHBondContact O-CB 3.17Å; I510-F514 HydrophobicContact CG2-CD2 4.37Å; I510-F514 HydrophobicContact CG2-CE2 4.09Å; I510-F514 WeakPolarHBondContact O-CD2 3.5Å; I510-M536 HydrophobicContact CG2-CG 3.89Å; I510-M536 HydrophobicContact CG2-SD 3.73Å; I510-L541 HydrophobicContact CD1-CD2 4.48Å; I510-T542 HydrophobicContact CB-CG2 4.21Å; I510-T542 HydrophobicContact CD1-CG2 4.07Å; I510-T542 HydrophobicContact CG1-CG2 3.76Å; I510-T542 HydrophobicContact CG2-CG2 3.7Å
511	F	93.9	Very high	85.3	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-69.5	-52.3	179.9	171.2	-136.3	0	0	0	111.5	Y411 L460 D462 A491 G509 K513 F514 L515 V532 L548	Y411-F511 HydrophobicContact CE2-CD1 4.41Å; Y411-F511 HydrophobicContact CE2-CE1 4.25Å; L460-F511 HydrophobicContact CB-CE1 4.24Å; L460-F511 HydrophobicContact CD2-CZ 4.33Å; D462-F511 HydrophobicContact CB-CD1 3.96Å; D462-F511 WeakPolarHBondContact OD2-CD1 3.25Å; A491-F511 HydrophobicContact CB-CB 3.58Å; A491-F511 HydrophobicContact CB-CD1 3.81Å; A491-F511 HydrophobicContact CB-CG 3.8Å; G509-F511 VanDerWaalsContact C-N 3.27Å; G509-F511 PolarHBondContact O-N 2.92Å; F511-K513 VanDerWaalsContact C-N 3.25Å; F511-K513 PolarHBondContact O-N 2.88Å; F511-F514 PolarHBondContact O-N 2.88Å; F511-F514 VanDerWaalsContact O-N 3.14Å; F511-L515 HydrophobicContact CD2-CB 4.33Å; F511-L515 HydrophobicContact CE1-CD2 4.14Å; F511-L515 HydrophobicContact CE2-CB 4.07Å; F511-L515 HydrophobicContact CE2-CD1 4.24Å; F511-L515 HydrophobicContact CE2-CD2 4.17Å; F511-L515 HydrophobicContact CE2-CG 4.39Å; F511-L515 HydrophobicContact CZ-CD1 4.36Å; F511-L515 HydrophobicContact CZ-CD2 3.77Å; F511-L515 HydrophobicContact CZ-CG 4.44Å; F511-L515 WeakPolarHBondContact O-CB 3.37Å; F511-L515 PolarHBondContact O-N 3.15Å; F511-V532 HydrophobicContact CD2-CG1 4.4Å; F511-V532 HydrophobicContact CE2-CG1 4.28Å; F511-L548 HydrophobicContact CD2-CD1 3.7Å; F511-L548 HydrophobicContact CE2-CD1 3.46Å; F511-L548 VanDerWaalsContact CE2-CD1 3.46Å
512	M	94.9	Very high	86.4	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.4	-36.8	178.3	-170.8	55.2	57.2	0	0	112.9	D365 L369 Y411 N508 G509 F514 L515 K516	D365-M512 HydrophobicContact CB-CB 3.87Å; D365-M512 HydrophobicContact CB-CE 4.42Å; D365-M512 HydrophobicContact CB-CG 3.9Å; D365-M512 WeakPolarHBondContact OD1-CB 3.4Å; D365-M512 WeakPolarHBondContact OD1-CG 3.19Å; L369-M512 HydrophobicContact CB-CE 3.7Å; L369-M512 HydrophobicContact CB-SD 4.1Å; L369-M512 HydrophobicContact CD1-CE 4.15Å; L369-M512 HydrophobicContact CD1-SD 4.44Å; L369-M512 HydrophobicContact CD2-CE 3.92Å; L369-M512 HydrophobicContact CG-CE 4.12Å; Y411-M512 HydrophobicContact CD2-CE 4.44Å; Y411-M512 HydrophobicContact CE1-CE 4.29Å; Y411-M512 HydrophobicContact CE2-CE 3.68Å; N508-M512 HydrophobicContact CB-CB 4.24Å; G509-M512 PolarHBondContact O-N 2.94Å; M512-F514 PolarHBondContact O-N 2.86Å; M512-F514 VanDerWaalsContact O-N 3.11Å; M512-L515 HydrophobicContact CE-CD2 3.92Å; M512-L515 PolarHBondContact O-N 2.97Å; M512-L515 HydrophobicContact SD-CB 4.42Å; M512-L515 HydrophobicContact SD-CD2 4.2Å; M512-K516 WeakPolarHBondContact O-CB 3.45Å; M512-K516 WeakPolarHBondContact O-CG 3.29Å; M512-K516 PolarHBondContact O-N 2.93Å; M512-K516 HydrophobicContact SD-CB 4.29Å
513	K	93.4	Very high	88.1	Confident	91 Å²	91	51.7 Å²	51.7	40%	0.396	28%	0.276	S	S	.	.	H	α-helix	trans	-49.6	-37.1	175.6	176.6	-179.2	172.2	55.7	0	113.4	N508 G509 I510 F511	N508-K513 HydrophobicContact CB-CB 4.04Å; G509-K513 VanDerWaalsContact O-CB 3.31Å; G509-K513 WeakPolarHBondContact O-CB 3.23Å; G509-K513 PolarHBondContact O-N 3.44Å; I510-K513 WeakPolarHBondContact O-CB 3.17Å; F511-K513 VanDerWaalsContact C-N 3.25Å; F511-K513 PolarHBondContact O-N 2.88Å
514	F	95.7	Very high	90	Very high	31 Å²	31	44.9 Å²	44.9	14%	0.136	25%	0.245	C	C	.	.	H	α-helix	trans	-100	-33	179.3	-64.1	-69.8	0	0	0	112.6	I510 F511 M512 K516 V532 D535 M536 C539	I510-F514 HydrophobicContact CG2-CD2 4.37Å; I510-F514 HydrophobicContact CG2-CE2 4.09Å; I510-F514 WeakPolarHBondContact O-CD2 3.5Å; F511-F514 PolarHBondContact O-N 2.88Å; F511-F514 VanDerWaalsContact O-N 3.14Å; M512-F514 PolarHBondContact O-N 2.86Å; M512-F514 VanDerWaalsContact O-N 3.11Å; F514-K516 VanDerWaalsContact C-N 3.31Å; F514-K516 PolarHBondContact O-N 2.95Å; F514-V532 HydrophobicContact CB-CG1 3.96Å; F514-D535 HydrophobicContact CD1-CB 4Å; F514-M536 HydrophobicContact CD2-CB 3.76Å; F514-M536 HydrophobicContact CD2-CG 3.67Å; F514-M536 HydrophobicContact CD2-SD 4.48Å; F514-M536 HydrophobicContact CE2-CB 4.14Å; F514-M536 HydrophobicContact CE2-CG 3.83Å; F514-M536 HydrophobicContact CG-CB 4.33Å; F514-C539 HydrophobicContact CE2-CB 4Å; F514-C539 HydrophobicContact CZ-CB 3.78Å
515	L	97.3	Very high	92.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.8	-42.8	177.8	-179.1	65.9	0	0	0	111.7	L369 L460 F511 M512 D517 R518 L519 L528 L529 V532	L369-L515 HydrophobicContact CD1-CD2 4.36Å; L460-L515 HydrophobicContact CD1-CD2 3.97Å; F511-L515 HydrophobicContact CD2-CB 4.33Å; F511-L515 HydrophobicContact CE1-CD2 4.14Å; F511-L515 HydrophobicContact CE2-CB 4.07Å; F511-L515 HydrophobicContact CE2-CD1 4.24Å; F511-L515 HydrophobicContact CE2-CD2 4.17Å; F511-L515 HydrophobicContact CE2-CG 4.39Å; F511-L515 HydrophobicContact CZ-CD1 4.36Å; F511-L515 HydrophobicContact CZ-CD2 3.77Å; F511-L515 HydrophobicContact CZ-CG 4.44Å; F511-L515 WeakPolarHBondContact O-CB 3.37Å; F511-L515 PolarHBondContact O-N 3.15Å; M512-L515 HydrophobicContact CE-CD2 3.92Å; M512-L515 PolarHBondContact O-N 2.97Å; M512-L515 HydrophobicContact SD-CB 4.42Å; M512-L515 HydrophobicContact SD-CD2 4.2Å; L515-D517 VanDerWaalsContact C-N 3.28Å; L515-D517 PolarHBondContact O-N 2.89Å; L515-R518 PolarHBondContact O-N 2.83Å; L515-L519 HydrophobicContact CD1-CD1 3.83Å; L515-L519 HydrophobicContact CD2-CD1 4.39Å; L515-L519 HydrophobicContact CG-CD1 4.05Å; L515-L519 PolarHBondContact O-N 3.39Å; L515-L528 HydrophobicContact CD1-CD2 4.31Å; L515-L529 HydrophobicContact CD1-CD2 3.89Å; L515-V532 HydrophobicContact CB-CG1 4.42Å; L515-V532 HydrophobicContact CD1-CG2 4.22Å
516	K	96	Very high	93.4	Very high	54 Å²	54	41.1 Å²	41.1	24%	0.235	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-33	-174	75.9	-176.4	-159.6	175	0	114	E368 L372 N508 M512 F514 R518	E368-K516 IonicContact OE1-NZ 3.67Å; E368-K516 PolarHBondContact OE1-NZ 3.1Å; E368-K516 WeakPolarHBondContact OE2-CD 3.45Å; E368-K516 WeakPolarHBondContact OE2-CE 3.27Å; E368-K516 IonicContact OE2-NZ 3.8Å; E368-K516 PolarHBondContact OE2-NZ 3.05Å; L372-K516 HydrophobicContact CD1-CB 3.69Å; N508-K516 PolarHBondContact OD1-NZ 3.48Å; M512-K516 WeakPolarHBondContact O-CB 3.45Å; M512-K516 WeakPolarHBondContact O-CG 3.29Å; M512-K516 PolarHBondContact O-N 2.93Å; M512-K516 HydrophobicContact SD-CB 4.29Å; F514-K516 VanDerWaalsContact C-N 3.31Å; F514-K516 PolarHBondContact O-N 2.95Å; K516-R518 PolarHBondContact O-N 2.89Å
517	D	96.4	Very high	94.4	Very high	114 Å²	114	39.7 Å²	39.7	61%	0.61	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-16	179.3	-65.4	-14.9	0	0	0	112	L515	L515-D517 VanDerWaalsContact C-N 3.28Å; L515-D517 PolarHBondContact O-N 2.89Å
518	R	96.7	Very high	95	Very high	47 Å²	47	38.1 Å²	38.1	18%	0.177	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-20.6	-175	-58.9	-55	-161.5	133.3	14.2	114.7	L515 K516 L520 E521 L528 E531 V532 D535	L515-R518 PolarHBondContact O-N 2.83Å; K516-R518 PolarHBondContact O-N 2.89Å; R518-L520 PolarHBondContact O-N 3.25Å; R518-L520 VanDerWaalsContact O-N 3.11Å; R518-E521 WeakPolarHBondContact CD-OE1 3.49Å; R518-E521 IonicContact CZ-OE1 2.73Å; R518-E521 IonicContact NE-OE1 2.65Å; R518-E521 IonicContact NH1-OE1 2.72Å; R518-E521 PolarHBondContact NH1-OE1 3.09Å; R518-E521 IonicContact NH1-OE2 2.95Å; R518-E521 WeakPolarHBondContact O-CB 3.33Å; R518-E521 WeakPolarHBondContact O-CG 3.4Å; R518-E521 PolarHBondContact O-N 3.42Å; R518-L528 HydrophobicContact CB-CD2 3.95Å; R518-L528 HydrophobicContact CB-CG 4.33Å; R518-L528 WeakPolarHBondContact O-CD1 3.48Å; R518-L528 WeakPolarHBondContact O-CG 3.44Å; R518-E531 IonicContact CZ-OE2 2.63Å; R518-E531 IonicContact NH1-OE2 2.99Å; R518-E531 PolarHBondContact NH1-OE2 2.72Å; R518-E531 IonicContact NH2-OE2 3.42Å; R518-V532 HydrophobicContact CB-CG2 3.64Å; R518-V532 HydrophobicContact CG-CG2 3.68Å; R518-D535 IonicContact CZ-OD2 2.65Å; R518-D535 VanDerWaalsContact CZ-OD2 3.27Å; R518-D535 IonicContact NE-OD2 3.48Å; R518-D535 PolarHBondContact NE-OD2 2.77Å; R518-D535 IonicContact NH2-OD1 3.31Å; R518-D535 IonicContact NH2-OD2 3.42Å; R518-D535 PolarHBondContact NH2-OD2 3.05Å
519	L	97.6	Very high	95.4	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-29.5	-167.4	-161.6	75.8	0	0	0	114.5	L369 L372 L373 L376 L515 E521 L560	L369-L519 HydrophobicContact CD1-CD2 3.41Å; L369-L519 VanDerWaalsContact CD1-CD2 3.41Å; L372-L519 HydrophobicContact CB-CD2 3.73Å; L372-L519 HydrophobicContact CD1-CD2 4.28Å; L373-L519 HydrophobicContact CD2-CD2 4.07Å; L373-L519 HydrophobicContact CG-CD2 4.26Å; L376-L519 HydrophobicContact CD1-CD2 4.48Å; L376-L519 HydrophobicContact CD1-CG 4.29Å; L515-L519 HydrophobicContact CD1-CD1 3.83Å; L515-L519 HydrophobicContact CD2-CD1 4.39Å; L515-L519 HydrophobicContact CG-CD1 4.05Å; L515-L519 PolarHBondContact O-N 3.39Å; L519-E521 VanDerWaalsContact C-N 3.34Å; L519-L560 HydrophobicContact CD1-CD1 3.63Å; L519-L560 HydrophobicContact CG-CD1 4.15Å
520	L	97.4	Very high	95.8	Very high	76 Å²	76	41.7 Å²	41.7	40%	0.398	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-0.4	-179.2	-56.7	-179	0	0	0	113.8	L372 Q375 L376 R518	L372-L520 HydrophobicContact CB-CD2 4.33Å; L372-L520 HydrophobicContact CD2-CD1 3.83Å; L372-L520 HydrophobicContact CD2-CD2 4.13Å; L372-L520 HydrophobicContact CD2-CG 3.96Å; Q375-L520 HydrophobicContact CB-CD2 4.23Å; L376-L520 HydrophobicContact CD1-CD2 3.97Å; L376-L520 HydrophobicContact CD2-CD2 3.93Å; L376-L520 HydrophobicContact CG-CD2 3.71Å; R518-L520 PolarHBondContact O-N 3.25Å; R518-L520 VanDerWaalsContact O-N 3.11Å
521	E	96.6	Very high	96.1	Very high	52 Å²	52	43.6 Å²	43.6	24%	0.243	22%	0.216	C	C	.	.	S	Bend	trans	-72.7	133.5	179.5	-65.6	-176.6	-179.1	0	0	111.8	R518 L519 K523	R518-E521 WeakPolarHBondContact CD-OE1 3.49Å; R518-E521 IonicContact CZ-OE1 2.73Å; R518-E521 IonicContact NE-OE1 2.65Å; R518-E521 IonicContact NH1-OE1 2.72Å; R518-E521 PolarHBondContact NH1-OE1 3.09Å; R518-E521 IonicContact NH1-OE2 2.95Å; R518-E521 WeakPolarHBondContact O-CB 3.33Å; R518-E521 WeakPolarHBondContact O-CG 3.4Å; R518-E521 PolarHBondContact O-N 3.42Å; L519-E521 VanDerWaalsContact C-N 3.34Å; E521-K523 HydrophobicContact CB-CD 4.28Å; E521-K523 HydrophobicContact CB-CG 4.37Å; E521-K523 PolarHBondContact O-N 2.8Å; E521-K523 WeakPolarHBondContact OE2-CD 3.37Å; E521-K523 WeakPolarHBondContact OE2-CE 3.37Å; E521-K523 IonicContact OE2-NZ 3.42Å; E521-K523 PolarHBondContact OE2-NZ 2.95Å
522	D	96.8	Very high	96.1	Very high	113 Å²	113	43.6 Å²	43.6	60%	0.604	22%	0.216	S	C	*	.	S	Bend	trans	-74.6	73	177.4	-173	37.7	0	0	0	112.1	T561	D522-T561 HydrophobicContact CB-CG2 4.24Å; D522-T561 WeakPolarHBondContact OD1-CB 3.32Å; D522-T561 PolarHBondContact OD1-OG1 3.3Å
523	K	93.9	Very high	96	Very high	63 Å²	63	44.8 Å²	44.8	27%	0.274	23%	0.226	S	C	.	.	S	Bend	trans	-136.5	149.2	-176.8	-68.6	179	-176.2	167.4	0	110.6	E521 I525 V527 L528 E531 A559	E521-K523 HydrophobicContact CB-CD 4.28Å; E521-K523 HydrophobicContact CB-CG 4.37Å; E521-K523 PolarHBondContact O-N 2.8Å; E521-K523 WeakPolarHBondContact OE2-CD 3.37Å; E521-K523 WeakPolarHBondContact OE2-CE 3.37Å; E521-K523 IonicContact OE2-NZ 3.42Å; E521-K523 PolarHBondContact OE2-NZ 2.95Å; K523-I525 PolarHBondContact O-N 2.82Å; K523-V527 HydrophobicContact CD-CG1 4.48Å; K523-L528 HydrophobicContact CB-CB 4.41Å; K523-E531 WeakPolarHBondContact CD-OE1 3.35Å; K523-E531 WeakPolarHBondContact CE-OE1 3.35Å; K523-E531 IonicContact NZ-OE1 2.71Å; K523-E531 PolarHBondContact NZ-OE1 3.24Å; K523-E531 IonicContact NZ-OE2 3.47Å; K523-E531 PolarHBondContact NZ-OE2 2.94Å; K523-A559 WeakPolarHBondContact O-CB 3.38Å
524	K	96.4	Very high	96	Very high	41 Å²	41	45.9 Å²	45.9	18%	0.178	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-51	128.4	168.3	-179.1	-179.2	177.4	158.3	0	108.3	T526 V527 L528 L554 S555 E556 K557 R558	K524-T526 WeakPolarHBondContact CD-OG1 3.21Å; K524-T526 WeakPolarHBondContact CE-OG1 3.48Å; K524-T526 PolarHBondContact O-N 2.74Å; K524-V527 HydrophobicContact CB-CG2 4.27Å; K524-V527 WeakPolarHBondContact O-CA 3.43Å; K524-V527 WeakPolarHBondContact O-CB 3.42Å; K524-V527 PolarHBondContact O-N 3.22Å; K524-L528 PolarHBondContact O-N 3.36Å; K524-L554 HydrophobicContact CG-CD2 4.24Å; K524-L554 PolarHBondContact NZ-O 3.37Å; K524-S555 PolarHBondContact NZ-O 2.8Å; K524-E556 WeakPolarHBondContact CE-O 3.16Å; K524-E556 PolarHBondContact NZ-O 3.17Å; K524-K557 HydrophobicContact CB-CG 4.28Å; K524-R558 WeakPolarHBondContact CA-O 3.27Å
525	I	97	Very high	95.8	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-55.7	-28.2	-170.6	-179.2	56.6	0	0	0	113.5	V487 K523 L528 L529 L554 R558 L560	V487-I525 HydrophobicContact CG2-CG2 3.93Å; K523-I525 PolarHBondContact O-N 2.82Å; I525-L528 HydrophobicContact CD1-CB 4.47Å; I525-L528 HydrophobicContact CD1-CD1 4.34Å; I525-L528 HydrophobicContact CD1-CD2 4.39Å; I525-L529 HydrophobicContact CD1-CD1 4.29Å; I525-L529 HydrophobicContact CD1-CG 4.05Å; I525-L529 HydrophobicContact CG1-CD1 4.22Å; I525-L529 HydrophobicContact CG1-CG 4.44Å; I525-L529 WeakPolarHBondContact O-CB 3.45Å; I525-L529 WeakPolarHBondContact O-CG 3.5Å; I525-L529 PolarHBondContact O-N 2.92Å; I525-L554 HydrophobicContact CG2-CD2 3.69Å; I525-R558 PolarHBondContact N-O 2.79Å; I525-L560 HydrophobicContact CD1-CD1 3.8Å; I525-L560 HydrophobicContact CD1-CD2 4.48Å; I525-L560 HydrophobicContact CD1-CG 3.99Å; I525-L560 HydrophobicContact CG1-CD2 4.49Å; I525-L560 HydrophobicContact CG1-CG 4.42Å
526	T	94.3	Very high	95.5	Very high	28 Å²	28	46.1 Å²	46.1	17%	0.172	24%	0.235	C	C	.	.	H	α-helix	trans	-67.4	-35.4	174.2	57.3	0	0	0	0	113.6	V487 K524 D530 S552 L554	V487-T526 HydrophobicContact CG1-CG2 4.28Å; V487-T526 HydrophobicContact CG2-CG2 4.06Å; K524-T526 WeakPolarHBondContact CD-OG1 3.21Å; K524-T526 WeakPolarHBondContact CE-OG1 3.48Å; K524-T526 PolarHBondContact O-N 2.74Å; T526-D530 WeakPolarHBondContact O-CB 3.49Å; T526-D530 PolarHBondContact O-N 2.9Å; T526-S552 WeakPolarHBondContact CG2-OG 3.46Å; T526-L554 HydrophobicContact CG2-CB 4.38Å; T526-L554 HydrophobicContact CG2-CD2 4.35Å
527	V	96.1	Very high	95.1	Very high	67 Å²	67	45.7 Å²	45.7	41%	0.406	25%	0.246	S	C	.	.	H	α-helix	trans	-75	-42.2	177.7	-179.2	0	0	0	0	109.8	K523 K524 L529 D530 E531	K523-V527 HydrophobicContact CD-CG1 4.48Å; K524-V527 HydrophobicContact CB-CG2 4.27Å; K524-V527 WeakPolarHBondContact O-CA 3.43Å; K524-V527 WeakPolarHBondContact O-CB 3.42Å; K524-V527 PolarHBondContact O-N 3.22Å; V527-L529 PolarHBondContact O-N 2.83Å; V527-D530 WeakPolarHBondContact O-CB 3.42Å; V527-D530 PolarHBondContact O-N 2.87Å; V527-D530 VanDerWaalsContact O-N 3.13Å; V527-E531 PolarHBondContact O-N 2.91Å
528	L	97.8	Very high	94.8	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-55.6	-49.2	174.1	-169.9	167.1	0	0	0	111	L515 R518 K523 K524 I525 D530 E531 V532	L515-L528 HydrophobicContact CD1-CD2 4.31Å; R518-L528 HydrophobicContact CB-CD2 3.95Å; R518-L528 HydrophobicContact CB-CG 4.33Å; R518-L528 WeakPolarHBondContact O-CD1 3.48Å; R518-L528 WeakPolarHBondContact O-CG 3.44Å; K523-L528 HydrophobicContact CB-CB 4.41Å; K524-L528 PolarHBondContact O-N 3.36Å; I525-L528 HydrophobicContact CD1-CB 4.47Å; I525-L528 HydrophobicContact CD1-CD1 4.34Å; I525-L528 HydrophobicContact CD1-CD2 4.39Å; L528-D530 VanDerWaalsContact C-N 3.31Å; L528-D530 PolarHBondContact O-N 3.15Å; L528-E531 PolarHBondContact O-N 2.77Å; L528-V532 HydrophobicContact CD2-CG2 4.14Å; L528-V532 WeakPolarHBondContact O-CG2 3.41Å; L528-V532 PolarHBondContact O-N 2.86Å; L528-V532 VanDerWaalsContact O-N 3.09Å
529	L	96.8	Very high	94.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.6	-28.7	177.6	-70.6	174.2	0	0	0	113.7	L460 V487 L515 I525 V527 V532 A533 I550	L460-L529 HydrophobicContact CD2-CD1 4.24Å; L460-L529 HydrophobicContact CD2-CD2 4.2Å; V487-L529 HydrophobicContact CG1-CD1 3.78Å; L515-L529 HydrophobicContact CD1-CD2 3.89Å; I525-L529 HydrophobicContact CD1-CD1 4.29Å; I525-L529 HydrophobicContact CD1-CG 4.05Å; I525-L529 HydrophobicContact CG1-CD1 4.22Å; I525-L529 HydrophobicContact CG1-CG 4.44Å; I525-L529 WeakPolarHBondContact O-CB 3.45Å; I525-L529 WeakPolarHBondContact O-CG 3.5Å; I525-L529 PolarHBondContact O-N 2.92Å; V527-L529 PolarHBondContact O-N 2.83Å; L529-V532 PolarHBondContact O-N 2.9Å; L529-A533 PolarHBondContact O-N 2.87Å; L529-I550 VanDerWaalsContact C-CD1 3.48Å; L529-I550 HydrophobicContact CB-CD1 3.78Å; L529-I550 HydrophobicContact CB-CG1 4.19Å
530	D	95.8	Very high	93.5	Very high	94 Å²	94	52.2 Å²	52.2	50%	0.503	28%	0.275	S	S	.	.	H	α-helix	trans	-68.7	-42.5	176.1	-155.7	40.1	0	0	0	110.7	T526 V527 L528 V532 A533 E534 I550	T526-D530 WeakPolarHBondContact O-CB 3.49Å; T526-D530 PolarHBondContact O-N 2.9Å; V527-D530 WeakPolarHBondContact O-CB 3.42Å; V527-D530 PolarHBondContact O-N 2.87Å; V527-D530 VanDerWaalsContact O-N 3.13Å; L528-D530 VanDerWaalsContact C-N 3.31Å; L528-D530 PolarHBondContact O-N 3.15Å; D530-V532 VanDerWaalsContact C-N 3.34Å; D530-V532 PolarHBondContact O-N 2.93Å; D530-A533 WeakPolarHBondContact O-CA 3.44Å; D530-A533 WeakPolarHBondContact O-CB 3.21Å; D530-A533 PolarHBondContact O-N 3.08Å; D530-A533 VanDerWaalsContact O-N 3.09Å; D530-E534 PolarHBondContact O-N 2.92Å; D530-I550 HydrophobicContact CB-CD1 4.06Å
531	E	96.4	Very high	92.6	Very high	43 Å²	43	54.2 Å²	54.2	20%	0.201	29%	0.285	C	S	.	.	H	α-helix	trans	-63.9	-37.1	172.4	-68.5	-177.7	-136.3	0	0	112.3	R518 K523 V527 L528 A533 E534 D535	R518-E531 IonicContact CZ-OE2 2.63Å; R518-E531 IonicContact NH1-OE2 2.99Å; R518-E531 PolarHBondContact NH1-OE2 2.72Å; R518-E531 IonicContact NH2-OE2 3.42Å; K523-E531 WeakPolarHBondContact CD-OE1 3.35Å; K523-E531 WeakPolarHBondContact CE-OE1 3.35Å; K523-E531 IonicContact NZ-OE1 2.71Å; K523-E531 PolarHBondContact NZ-OE1 3.24Å; K523-E531 IonicContact NZ-OE2 3.47Å; K523-E531 PolarHBondContact NZ-OE2 2.94Å; V527-E531 PolarHBondContact O-N 2.91Å; L528-E531 PolarHBondContact O-N 2.77Å; E531-A533 VanDerWaalsContact C-N 3.32Å; E531-A533 PolarHBondContact O-N 3.05Å; E531-E534 PolarHBondContact O-N 2.96Å; E531-D535 PolarHBondContact O-N 2.56Å
532	V	95.6	Very high	91.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.9	-36.9	171.6	176.9	0	0	0	0	111.3	F511 F514 L515 R518 L528 L529 D530 D535 M536 L548	F511-V532 HydrophobicContact CD2-CG1 4.4Å; F511-V532 HydrophobicContact CE2-CG1 4.28Å; F514-V532 HydrophobicContact CB-CG1 3.96Å; L515-V532 HydrophobicContact CB-CG1 4.42Å; L515-V532 HydrophobicContact CD1-CG2 4.22Å; R518-V532 HydrophobicContact CB-CG2 3.64Å; R518-V532 HydrophobicContact CG-CG2 3.68Å; L528-V532 HydrophobicContact CD2-CG2 4.14Å; L528-V532 WeakPolarHBondContact O-CG2 3.41Å; L528-V532 PolarHBondContact O-N 2.86Å; L528-V532 VanDerWaalsContact O-N 3.09Å; L529-V532 PolarHBondContact O-N 2.9Å; D530-V532 VanDerWaalsContact C-N 3.34Å; D530-V532 PolarHBondContact O-N 2.93Å; V532-D535 PolarHBondContact O-N 2.87Å; V532-M536 WeakPolarHBondContact O-CB 3.37Å; V532-M536 PolarHBondContact O-N 3.35Å; V532-L548 HydrophobicContact CB-CD1 4.31Å; V532-L548 HydrophobicContact CG1-CD1 3.73Å
533	A	92.8	Very high	90.9	Very high	24 Å²	24	52.2 Å²	52.2	20%	0.198	27%	0.27	C	S	.	.	H	α-helix	trans	-65.7	-42.2	174.5	0	0	0	0	0	112	L529 D530 E531 G537 L548	L529-A533 PolarHBondContact O-N 2.87Å; D530-A533 WeakPolarHBondContact O-CA 3.44Å; D530-A533 WeakPolarHBondContact O-CB 3.21Å; D530-A533 PolarHBondContact O-N 3.08Å; D530-A533 VanDerWaalsContact O-N 3.09Å; E531-A533 VanDerWaalsContact C-N 3.32Å; E531-A533 PolarHBondContact O-N 3.05Å; A533-G537 PolarHBondContact O-N 2.87Å; A533-L548 HydrophobicContact CB-CB 3.98Å; A533-L548 HydrophobicContact CB-CD2 4.16Å
534	E	92.6	Very high	90	Very high	115 Å²	115	53.6 Å²	53.6	54%	0.537	30%	0.303	S	S	.	.	H	α-helix	trans	-60.5	-46.6	173.4	-70	-164.2	173.1	0	0	112.2	D530 E531 G537 K538	D530-E534 PolarHBondContact O-N 2.92Å; E531-E534 PolarHBondContact O-N 2.96Å; E534-G537 PolarHBondContact O-N 2.96Å; E534-K538 WeakPolarHBondContact O-CE 3.31Å; E534-K538 WeakPolarHBondContact O-CG 3.45Å; E534-K538 PolarHBondContact O-N 2.99Å; E534-K538 VanDerWaalsContact O-N 3.16Å; E534-K538 IonicContact OE2-NZ 3.81Å
535	D	92.2	Very high	88.9	Confident	33 Å²	33	57.8 Å²	57.8	18%	0.176	32%	0.321	C	S	.	.	H	α-helix	trans	-65.6	-40.8	-178.9	-73	-24.5	0	0	0	111.6	F514 R518 E531 V532 G537 K538	F514-D535 HydrophobicContact CD1-CB 4Å; R518-D535 IonicContact CZ-OD2 2.65Å; R518-D535 VanDerWaalsContact CZ-OD2 3.27Å; R518-D535 IonicContact NE-OD2 3.48Å; R518-D535 PolarHBondContact NE-OD2 2.77Å; R518-D535 IonicContact NH2-OD1 3.31Å; R518-D535 IonicContact NH2-OD2 3.42Å; R518-D535 PolarHBondContact NH2-OD2 3.05Å; E531-D535 PolarHBondContact O-N 2.56Å; V532-D535 PolarHBondContact O-N 2.87Å; D535-G537 VanDerWaalsContact C-N 3.32Å; D535-G537 PolarHBondContact O-N 3.49Å; D535-K538 WeakPolarHBondContact O-CB 3.36Å; D535-K538 PolarHBondContact O-N 2.94Å; D535-K538 IonicContact OD1-NZ 3.24Å; D535-K538 PolarHBondContact OD1-NZ 2.92Å
536	M	90.4	Very high	88.2	Confident	3 Å²	3	58.2 Å²	58.2	2%	0.015	32%	0.323	C	S	.	.	H	α-helix	trans	-66.3	-33.8	172.6	-160.4	173.4	85.8	0	0	112.3	I510 F514 V532 K538 C539 Q546 A547 L548	I510-M536 HydrophobicContact CG2-CG 3.89Å; I510-M536 HydrophobicContact CG2-SD 3.73Å; F514-M536 HydrophobicContact CD2-CB 3.76Å; F514-M536 HydrophobicContact CD2-CG 3.67Å; F514-M536 HydrophobicContact CD2-SD 4.48Å; F514-M536 HydrophobicContact CE2-CB 4.14Å; F514-M536 HydrophobicContact CE2-CG 3.83Å; F514-M536 HydrophobicContact CG-CB 4.33Å; V532-M536 WeakPolarHBondContact O-CB 3.37Å; V532-M536 PolarHBondContact O-N 3.35Å; M536-K538 PolarHBondContact O-N 3.15Å; M536-C539 WeakPolarHBondContact O-CB 3.45Å; M536-C539 PolarHBondContact O-N 3.01Å; M536-Q546 HydrophobicContact CE-CG 3.91Å; M536-A547 VanDerWaalsContact CE-C 3.42Å; M536-L548 HydrophobicContact CE-CB 3.87Å
537	G	87.8	Confident	87.8	Confident	44 Å²	44	59.3 Å²	59.3	45%	0.454	34%	0.335	S	S	.	.	H	α-helix	trans	-65	-23.1	174	0	0	0	0	0	114.4	A533 E534 D535 C539 K543	A533-G537 PolarHBondContact O-N 2.87Å; E534-G537 PolarHBondContact O-N 2.96Å; D535-G537 VanDerWaalsContact C-N 3.32Å; D535-G537 PolarHBondContact O-N 3.49Å; G537-C539 VanDerWaalsContact C-N 3.3Å; G537-K543 WeakPolarHBondContact O-CE 3.48Å
538	K	89.2	Confident	87.6	Confident	114 Å²	114	57 Å²	57	50%	0.496	32%	0.321	S	S	.	.	H	α-helix	trans	-75.2	-19.4	172.1	-63	157.5	-154.3	162.4	0	111.6	E534 D535 M536 H540	E534-K538 WeakPolarHBondContact O-CE 3.31Å; E534-K538 WeakPolarHBondContact O-CG 3.45Å; E534-K538 PolarHBondContact O-N 2.99Å; E534-K538 VanDerWaalsContact O-N 3.16Å; E534-K538 IonicContact OE2-NZ 3.81Å; D535-K538 WeakPolarHBondContact O-CB 3.36Å; D535-K538 PolarHBondContact O-N 2.94Å; D535-K538 IonicContact OD1-NZ 3.24Å; D535-K538 PolarHBondContact OD1-NZ 2.92Å; M536-K538 PolarHBondContact O-N 3.15Å; K538-H540 PolarHBondContact O-N 2.79Å
539	C	84.6	Confident	87.3	Confident	22 Å²	22	59.1 Å²	59.1	15%	0.149	33%	0.33	C	S	.	.			trans	-69.7	116.7	-178	-165.1	0	0	0	0	113.2	F514 M536 G537 L541 K543	F514-C539 HydrophobicContact CE2-CB 4Å; F514-C539 HydrophobicContact CZ-CB 3.78Å; M536-C539 WeakPolarHBondContact O-CB 3.45Å; M536-C539 PolarHBondContact O-N 3.01Å; G537-C539 VanDerWaalsContact C-N 3.3Å; C539-L541 VanDerWaalsContact C-N 3.26Å; C539-L541 PolarHBondContact O-N 3.39Å; C539-K543 WeakPolarHBondContact O-CG 3.36Å; C539-K543 PolarHBondContact O-N 2.95Å
540	H	83.1	Confident	87.2	Confident	164 Å²	164	61.5 Å²	61.5	76%	0.759	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-23	177	-68.9	-86.9	0	0	0	114.2	K538	K538-H540 PolarHBondContact O-N 2.79Å
541	L	78.1	Confident	86.9	Confident	117 Å²	117	60.9 Å²	60.9	61%	0.613	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-28.6	-175	-149.3	73.1	0	0	0	112.7	I501 I510 C539	I501-L541 HydrophobicContact CD1-CD2 4.13Å; I501-L541 HydrophobicContact CG1-CD2 4.22Å; I510-L541 HydrophobicContact CD1-CD2 4.48Å; C539-L541 VanDerWaalsContact C-N 3.26Å; C539-L541 PolarHBondContact O-N 3.39Å
542	T	78.2	Confident	86.8	Confident	4 Å²	4	61.6 Å²	61.6	3%	0.025	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-4.3	-175.1	49.3	0	0	0	0	115	I510 G544 K545 Q546	I510-T542 HydrophobicContact CB-CG2 4.21Å; I510-T542 HydrophobicContact CD1-CG2 4.07Å; I510-T542 HydrophobicContact CG1-CG2 3.76Å; I510-T542 HydrophobicContact CG2-CG2 3.7Å; T542-G544 PolarHBondContact O-N 2.81Å; T542-G544 VanDerWaalsContact O-N 3.15Å; T542-K545 PolarHBondContact O-N 2.82Å; T542-Q546 HydrophobicContact CG2-CB 4.16Å; T542-Q546 PolarHBondContact O-N 3.1Å
543	K	79.1	Confident	86.5	Confident	119 Å²	119	64.2 Å²	64.2	52%	0.517	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	120.7	174.1	-94.2	176.7	-178.5	173.1	0	111.7	G537 C539 K545	G537-K543 WeakPolarHBondContact O-CE 3.48Å; C539-K543 WeakPolarHBondContact O-CG 3.36Å; C539-K543 PolarHBondContact O-N 2.95Å; K543-K545 VanDerWaalsContact C-N 3.28Å; K543-K545 PolarHBondContact O-N 2.86Å
544	G	74.7	Confident	86.5	Confident	93 Å²	93	63.5 Å²	63.5	96%	0.959	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	5.7	-178.7	0	0	0	0	0	115.6	T542	T542-G544 PolarHBondContact O-N 2.81Å; T542-G544 VanDerWaalsContact O-N 3.15Å
545	K	74.9	Confident	86.1	Confident	129 Å²	129	61.9 Å²	61.9	56%	0.561	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.9	-41.9	179.9	-64.4	-175.4	177.8	-179.5	0	113.6	F499 T542 K543	F499-K545 HydrophobicContact CD2-CB 4.46Å; F499-K545 HydrophobicContact CE2-CB 3.8Å; F499-K545 HydrophobicContact CZ-CB 4.4Å; F499-K545 HydrophobicContact CZ-CD 4.48Å; T542-K545 PolarHBondContact O-N 2.82Å; K543-K545 VanDerWaalsContact C-N 3.28Å; K543-K545 PolarHBondContact O-N 2.86Å
546	Q	82.6	Confident	85.9	Confident	8 Å²	8	64.6 Å²	64.6	4%	0.037	37%	0.367	C	S	.	.			trans	-142.2	128.4	-178.2	179.3	178.1	-1.2	0	0	109.1	A491 F499 M536 T542	A491-Q546 WeakPolarHBondContact O-CG 3.3Å; A491-Q546 PolarHBondContact O-NE2 2.84Å; F499-Q546 HydrophobicContact CD2-CB 4.11Å; M536-Q546 HydrophobicContact CE-CG 3.91Å; T542-Q546 HydrophobicContact CG2-CB 4.16Å; T542-Q546 PolarHBondContact O-N 3.1Å
547	A	84.6	Confident	86.1	Confident	51 Å²	51	72 Å²	72	42%	0.421	40%	0.399	S	S	.	.			trans	-142.6	141	176.6	0	0	0	0	0	108.3	T492 C493 M536	T492-A547 CarbonylContact C-O 3.48Å; T492-A547 VanDerWaalsContact C-O 3.3Å; T492-A547 WeakPolarHBondContact CA-O 3.35Å; C493-A547 PolarHBondContact N-O 3.33Å; C493-A547 VanDerWaalsContact N-O 3.17Å; C493-A547 PolarHBondContact SG-O 3.33Å; C493-A547 VanDerWaalsContact SG-O 3.4Å; M536-A547 VanDerWaalsContact CE-C 3.42Å
548	L	91.4	Very high	86.5	Confident	20 Å²	20	71.5 Å²	71.5	11%	0.105	38%	0.383	C	S	.	.			trans	-75.7	130.4	-173.8	-171.1	155.9	0	0	0	108.8	Y490 F511 V532 A533 M536 I550	Y490-L548 WeakPolarHBondContact O-CA 3.32Å; F511-L548 HydrophobicContact CD2-CD1 3.7Å; F511-L548 HydrophobicContact CE2-CD1 3.46Å; F511-L548 VanDerWaalsContact CE2-CD1 3.46Å; V532-L548 HydrophobicContact CB-CD1 4.31Å; V532-L548 HydrophobicContact CG1-CD1 3.73Å; A533-L548 HydrophobicContact CB-CB 3.98Å; A533-L548 HydrophobicContact CB-CD2 4.16Å; M536-L548 HydrophobicContact CE-CB 3.87Å; L548-I550 HydrophobicContact CD2-CD1 4.09Å; L548-I550 HydrophobicContact CD2-CG1 3.34Å
549	E	92.5	Very high	86.8	Confident	44 Å²	44	66.2 Å²	66.2	21%	0.206	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	122.8	175.2	-171.8	-176	159.1	0	0	109.5	R465 Y490 Q494 R551	R465-E549 IonicContact CZ-OE2 3.75Å; R465-E549 IonicContact NH1-OE2 3.54Å; R465-E549 PolarHBondContact NH1-OE2 3.4Å; R465-E549 IonicContact NH2-OE2 2.7Å; R465-E549 PolarHBondContact NH2-OE2 3.42Å; Y490-E549 HydrophobicContact CD2-CB 4.44Å; Y490-E549 WeakPolarHBondContact CD2-O 3.36Å; Y490-E549 PolarHBondContact N-O 2.87Å; Y490-E549 PolarHBondContact O-N 3.45Å; Q494-E549 PolarHBondContact N-OE2 2.8Å; Q494-E549 VanDerWaalsContact N-OE2 3.16Å; E549-R551 IonicContact OE1-CZ 2.69Å; E549-R551 IonicContact OE1-NE 3.12Å; E549-R551 PolarHBondContact OE1-NE 2.92Å; E549-R551 IonicContact OE1-NH2 2.87Å; E549-R551 PolarHBondContact OE1-NH2 3.43Å; E549-R551 IonicContact OE2-NH2 3.11Å
550	I	93.8	Very high	87.4	Confident	50 Å²	50	65.3 Å²	65.3	26%	0.256	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	126.9	175.6	-50.5	172.8	0	0	0	108.5	F488 L529 D530 L548	F488-I550 WeakPolarHBondContact O-CA 3.49Å; L529-I550 VanDerWaalsContact C-CD1 3.48Å; L529-I550 HydrophobicContact CB-CD1 3.78Å; L529-I550 HydrophobicContact CB-CG1 4.19Å; D530-I550 HydrophobicContact CB-CD1 4.06Å; L548-I550 HydrophobicContact CD2-CD1 4.09Å; L548-I550 HydrophobicContact CD2-CG1 3.34Å
551	R	90.9	Very high	88.1	Confident	81 Å²	81	59 Å²	59	31%	0.306	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	117.9	166	-60.5	-174.3	-176.7	169.5	-0.2	108.6	E418 F488 Y490 E549	E418-R551 IonicContact OE1-NH1 2.7Å; F488-R551 HydrophobicContact CB-CB 4.27Å; F488-R551 PolarHBondContact N-O 2.81Å; F488-R551 PolarHBondContact O-N 2.78Å; Y490-R551 HydrophobicContact CE2-CB 4.31Å; Y490-R551 HydrophobicContact CE2-CG 3.98Å; E549-R551 IonicContact OE1-CZ 2.69Å; E549-R551 IonicContact OE1-NE 3.12Å; E549-R551 PolarHBondContact OE1-NE 2.92Å; E549-R551 IonicContact OE1-NH2 2.87Å; E549-R551 PolarHBondContact OE1-NH2 3.43Å; E549-R551 IonicContact OE2-NH2 3.11Å
552	S	92.8	Very high	89	Confident	59 Å²	59	53.6 Å²	53.6	41%	0.413	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	140.1	-176.1	-177.8	0	0	0	0	112.2	I486 T526 L554	I486-S552 CarbonylContact O-C 3.53Å; I486-S552 WeakPolarHBondContact O-CA 3.36Å; I486-S552 PolarHBondContact O-OG 2.81Å; T526-S552 WeakPolarHBondContact CG2-OG 3.46Å; S552-L554 WeakPolarHBondContact OG-CB 3.45Å; S552-L554 PolarHBondContact OG-N 2.71Å
553	S	89.5	Confident	89.8	Confident	54 Å²	54	55.8 Å²	55.8	38%	0.378	31%	0.314	S	S	.	.			trans	-112.4	3.3	162.9	66	0	0	0	0	112.4	A484 I486 S555	A484-S553 CarbonylContact C-O 3.22Å; A484-S553 WeakPolarHBondContact CA-O 3.47Å; A484-S553 VanDerWaalsContact O-O 3.14Å; I486-S553 WeakPolarHBondContact CB-OG 3.39Å; I486-S553 PolarHBondContact N-OG 3.08Å; I486-S553 PolarHBondContact O-N 2.97Å; S553-S555 PolarHBondContact O-N 2.81Å
554	L	93.3	Very high	90.4	Very high	9 Å²	9	52.8 Å²	52.8	5%	0.047	30%	0.303	C	S	.	.			trans	-62.9	105.5	-176.2	178.2	63.2	0	0	0	111.9	L456 A484 N485 I486 V487 K524 I525 T526 S552 E556 R558	L456-L554 HydrophobicContact CD1-CD1 3.79Å; L456-L554 HydrophobicContact CD1-CD2 3.84Å; L456-L554 HydrophobicContact CD1-CG 4.37Å; A484-L554 CarbonylContact O-C 3.58Å; A484-L554 VanDerWaalsContact O-CA 3.26Å; A484-L554 WeakPolarHBondContact O-CA 3.26Å; N485-L554 HydrophobicContact CB-CD1 4.27Å; I486-L554 PolarHBondContact O-N 2.77Å; V487-L554 HydrophobicContact CG2-CB 3.67Å; V487-L554 HydrophobicContact CG2-CD2 3.84Å; V487-L554 HydrophobicContact CG2-CG 4.37Å; K524-L554 HydrophobicContact CG-CD2 4.24Å; K524-L554 PolarHBondContact NZ-O 3.37Å; I525-L554 HydrophobicContact CG2-CD2 3.69Å; T526-L554 HydrophobicContact CG2-CB 4.38Å; T526-L554 HydrophobicContact CG2-CD2 4.35Å; S552-L554 WeakPolarHBondContact OG-CB 3.45Å; S552-L554 PolarHBondContact OG-N 2.71Å; L554-E556 WeakPolarHBondContact CG-O 3.21Å; L554-R558 HydrophobicContact CD1-CB 4.23Å; L554-R558 HydrophobicContact CD1-CG 4.3Å; L554-R558 HydrophobicContact CD2-CB 4.33Å
555	S	85.5	Confident	90.9	Very high	81 Å²	81	54 Å²	54	57%	0.566	28%	0.284	S	S	*	.			trans	-76.5	-53.7	176.1	53	0	0	0	0	111.5	A484 K524 S553	A484-S555 PolarHBondContact O-N 2.87Å; A484-S555 PolarHBondContact O-OG 3.14Å; K524-S555 PolarHBondContact NZ-O 2.8Å; S553-S555 PolarHBondContact O-N 2.81Å
556	E	88.1	Confident	90.2	Very high	90 Å²	90	51 Å²	51	42%	0.421	29%	0.289	S	S	.	.	S	Bend	trans	-65.5	162.5	-175.5	-64.3	173.3	112.9	0	0	113.5	K524 L554 R558	K524-E556 WeakPolarHBondContact CE-O 3.16Å; K524-E556 PolarHBondContact NZ-O 3.17Å; L554-E556 WeakPolarHBondContact CG-O 3.21Å; E556-R558 HydrophobicContact CB-CG 4.01Å; E556-R558 PolarHBondContact O-N 2.82Å; E556-R558 IonicContact OE1-CZ 2.79Å; E556-R558 IonicContact OE1-NE 3.86Å; E556-R558 IonicContact OE1-NH2 3.41Å; E556-R558 PolarHBondContact OE1-NH2 2.83Å; E556-R558 IonicContact OE2-CZ 2.83Å; E556-R558 IonicContact OE2-NE 2.92Å; E556-R558 PolarHBondContact OE2-NE 3.45Å; E556-R558 IonicContact OE2-NH2 3.5Å; E556-R558 PolarHBondContact OE2-NH2 3.16Å
557	K	93.3	Very high	88.7	Confident	159 Å²	159	55.4 Å²	55.4	69%	0.691	32%	0.317	S	S	*	.			trans	-84	42.3	-178.5	-160	-158.3	170.1	-167	0	113	K524	K524-K557 HydrophobicContact CB-CG 4.28Å
558	R	95.6	Very high	87	Confident	33 Å²	33	61.3 Å²	61.3	13%	0.125	34%	0.335	C	S	.	.			trans	-74.1	134.6	-176.1	-59.7	-175.8	-179.5	-80.7	-4	112.3	P338 L339 Y407 G455 L456 K524 I525 L554 E556 D562	P338-R558 HydrophobicContact CB-CG 4.36Å; L339-R558 PolarHBondContact O-NH1 3.04Å; Y407-R558 HydrophobicContact CE2-CB 4.36Å; Y407-R558 WeakPolarHBondContact OH-CD 3.27Å; Y407-R558 VanDerWaalsContact OH-CG 3.29Å; Y407-R558 WeakPolarHBondContact OH-CG 3.43Å; Y407-R558 PolarHBondContact OH-NH1 2.75Å; G455-R558 WeakPolarHBondContact O-CD 3.38Å; G455-R558 PolarHBondContact O-NE 3.48Å; L456-R558 HydrophobicContact CD1-CB 4.32Å; L456-R558 HydrophobicContact CD2-CB 4.35Å; K524-R558 WeakPolarHBondContact CA-O 3.27Å; I525-R558 PolarHBondContact N-O 2.79Å; L554-R558 HydrophobicContact CD1-CB 4.23Å; L554-R558 HydrophobicContact CD1-CG 4.3Å; L554-R558 HydrophobicContact CD2-CB 4.33Å; E556-R558 HydrophobicContact CB-CG 4.01Å; E556-R558 PolarHBondContact O-N 2.82Å; E556-R558 IonicContact OE1-CZ 2.79Å; E556-R558 IonicContact OE1-NE 3.86Å; E556-R558 IonicContact OE1-NH2 3.41Å; E556-R558 PolarHBondContact OE1-NH2 2.83Å; E556-R558 IonicContact OE2-CZ 2.83Å; E556-R558 IonicContact OE2-NE 2.92Å; E556-R558 PolarHBondContact OE2-NE 3.45Å; E556-R558 IonicContact OE2-NH2 3.5Å; E556-R558 PolarHBondContact OE2-NH2 3.16Å; R558-D562 VanDerWaalsContact CA-OD2 3.24Å; R558-D562 WeakPolarHBondContact CA-OD2 3.5Å
559	A	97.1	Very high	85.4	Confident	3 Å²	3	69.1 Å²	69.1	3%	0.025	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-122.4	162.5	178	0	0	0	0	0	111.2	Y407 K523 T561 D562	Y407-A559 WeakPolarHBondContact CE2-O 3.4Å; K523-A559 WeakPolarHBondContact O-CB 3.38Å; A559-T561 WeakPolarHBondContact CB-OG1 3.29Å; A559-T561 PolarHBondContact O-N 2.87Å; A559-D562 WeakPolarHBondContact CB-OD1 3.45Å; A559-D562 VanDerWaalsContact N-CG 3.25Å; A559-D562 PolarHBondContact N-OD1 3.33Å; A559-D562 VanDerWaalsContact N-OD1 3.1Å; A559-D562 PolarHBondContact N-OD2 3.11Å; A559-D562 WeakPolarHBondContact O-CB 3.38Å; A559-D562 PolarHBondContact O-N 3.46Å
560	L	97.6	Very high	84	Confident	3 Å²	3	69 Å²	69	2%	0.016	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-23.7	173.6	-56.8	-179.1	0	0	0	111.7	K343 L376 F378 L409 L456 V458 L519 I525 D562	K343-L560 PolarHBondContact NZ-O 3.14Å; K343-L560 VanDerWaalsContact NZ-O 3.17Å; L376-L560 HydrophobicContact CD1-CB 3.94Å; F378-L560 HydrophobicContact CE2-CB 4.19Å; F378-L560 HydrophobicContact CE2-CD2 4.47Å; F378-L560 HydrophobicContact CZ-CB 4.49Å; F378-L560 HydrophobicContact CZ-CD2 3.95Å; L409-L560 HydrophobicContact CD1-CD1 4.46Å; L409-L560 HydrophobicContact CD1-CD2 4.23Å; L456-L560 HydrophobicContact CD2-CD2 4.47Å; V458-L560 HydrophobicContact CG2-CD2 4.33Å; L519-L560 HydrophobicContact CD1-CD1 3.63Å; L519-L560 HydrophobicContact CG-CD1 4.15Å; I525-L560 HydrophobicContact CD1-CD1 3.8Å; I525-L560 HydrophobicContact CD1-CD2 4.48Å; I525-L560 HydrophobicContact CD1-CG 3.99Å; I525-L560 HydrophobicContact CG1-CD2 4.49Å; I525-L560 HydrophobicContact CG1-CG 4.42Å; L560-D562 VanDerWaalsContact C-N 3.29Å
561	T	97.5	Very high	82.7	Confident	31 Å²	31	70.3 Å²	70.3	19%	0.19	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-9.8	172.2	45.6	0	0	0	0	114.1	L376 D522 A559	L376-T561 HydrophobicContact CD2-CG2 3.66Å; D522-T561 HydrophobicContact CB-CG2 4.24Å; D522-T561 WeakPolarHBondContact OD1-CB 3.32Å; D522-T561 PolarHBondContact OD1-OG1 3.3Å; A559-T561 WeakPolarHBondContact CB-OG1 3.29Å; A559-T561 PolarHBondContact O-N 2.87Å
562	D	96.4	Very high	81.7	Confident	4 Å²	4	71.2 Å²	71.2	2%	0.021	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-53.4	130.6	180	-71.5	-10.1	0	0	0	110.3	K343 Y407 R558 A559 L560	K343-D562 WeakPolarHBondContact CE-O 3.5Å; K343-D562 PolarHBondContact NZ-O 3.04Å; Y407-D562 HydrophobicContact CE2-CB 3.79Å; Y407-D562 VanDerWaalsContact CE2-OD2 3.25Å; Y407-D562 WeakPolarHBondContact CE2-OD2 3.43Å; Y407-D562 VanDerWaalsContact CZ-OD2 3.3Å; Y407-D562 PolarHBondContact OH-OD2 2.8Å; R558-D562 VanDerWaalsContact CA-OD2 3.24Å; R558-D562 WeakPolarHBondContact CA-OD2 3.5Å; A559-D562 WeakPolarHBondContact CB-OD1 3.45Å; A559-D562 VanDerWaalsContact N-CG 3.25Å; A559-D562 PolarHBondContact N-OD1 3.33Å; A559-D562 VanDerWaalsContact N-OD1 3.1Å; A559-D562 PolarHBondContact N-OD2 3.11Å; A559-D562 WeakPolarHBondContact O-CB 3.38Å; A559-D562 PolarHBondContact O-N 3.46Å; L560-D562 VanDerWaalsContact C-N 3.29Å
563	P	94.4	Very high	80.6	Confident	50 Å²	50	69.4 Å²	69.4	33%	0.325	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-70.7	150.5	-178.3	23.5	-27.3	0	0	0	111.6	L339 A340	L339-P563 HydrophobicContact CD2-CG 3.73Å; A340-P563 PolarHBondContact N-O 2.9Å; A340-P563 VanDerWaalsContact N-O 3.11Å
564	I	92.3	Very high	79.8	Confident	56 Å²	56	70.9 Å²	70.9	29%	0.287	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-76.6	130	175.3	-56.4	-178.9	0	0	0	108.4	A340 K343 D377 G566	A340-I564 CarbonylContact O-C 3.59Å; A340-I564 WeakPolarHBondContact O-CA 3.41Å; K343-I564 HydrophobicContact CB-CD1 4.4Å; K343-I564 HydrophobicContact CD-CG1 4.37Å; K343-I564 HydrophobicContact CG-CD1 4.32Å; K343-I564 HydrophobicContact CG-CG1 4.14Å; D377-I564 HydrophobicContact CB-CD1 4.09Å; I564-G566 PolarHBondContact O-N 2.82Å
565	Q	84.3	Confident	78.8	Confident	120 Å²	120	74.4 Å²	74.4	56%	0.561	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-58.8	136.6	179.9	-171	167.2	24.7	0	0	110.8	L339 A340 T567	L339-Q565 HydrophobicContact CB-CB 4.16Å; L339-Q565 HydrophobicContact CD1-CB 4.07Å; L339-Q565 HydrophobicContact CD1-CG 3.84Å; A340-Q565 PolarHBondContact O-N 3.14Å; Q565-T567 PolarHBondContact O-N 3.49Å
566	G	61.7	Low	78.1	Confident	65 Å²	65	71.2 Å²	71.2	67%	0.67	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-47.4	135.2	-168.6	0	0	0	0	0	114.7	I564 E568	I564-G566 PolarHBondContact O-N 2.82Å; G566-E568 VanDerWaalsContact C-N 3.34Å; G566-E568 PolarHBondContact O-N 2.99Å
567	T	50.4	Low	77.5	Confident	101 Å²	101	69.8 Å²	69.8	62%	0.62	38%	0.378	S	S	*	.			trans	-74.5	73.6	-167.6	42.9	0	0	0	0	114.4	Q565 Y569	Q565-T567 PolarHBondContact O-N 3.49Å; T567-Y569 PolarHBondContact O-N 3.27Å
568	E	49.1	Very low	76.6	Confident	174 Å²	174	67.2 Å²	67.2	81%	0.813	37%	0.371	S	S	*	.			trans	-55.9	118	144.5	-78.2	-81.1	138.2	0	0	107.5	G566 S570	G566-E568 VanDerWaalsContact C-N 3.34Å; G566-E568 PolarHBondContact O-N 2.99Å; E568-S570 PolarHBondContact O-N 2.9Å
569	Y	56.8	Low	75.5	Confident	184 Å²	184	68 Å²	68	72%	0.722	38%	0.376	S	S	*	.			trans	-72.1	66.6	179.9	-79	-96.7	0	0	0	111	T567 L574	T567-Y569 PolarHBondContact O-N 3.27Å; Y569-L574 HydrophobicContact CD1-CD1 4.24Å; Y569-L574 HydrophobicContact CD1-CD2 4.32Å; Y569-L574 HydrophobicContact CD1-CG 4.21Å
570	S	65	Low	74.5	Confident	43 Å²	43	70.8 Å²	70.8	30%	0.301	39%	0.386	S	S	.	.			trans	-63	143.7	172.8	75.4	0	0	0	0	110	E568 E572 S573 L574	E568-S570 PolarHBondContact O-N 2.9Å; S570-E572 PolarHBondContact O-N 3.08Å; S570-S573 WeakPolarHBondContact O-CB 3.42Å; S570-S573 PolarHBondContact O-N 3.42Å; S570-S573 WeakPolarHBondContact OG-CB 3.32Å; S570-S573 PolarHBondContact OG-N 3.35Å; S570-L574 PolarHBondContact O-N 2.92Å
571	A	66.1	Low	73.5	Confident	77 Å²	77	72.8 Å²	72.8	64%	0.636	40%	0.403	S	S	*	.	H	α-helix	trans	-56.4	-34.7	178.3	0	0	0	0	0	111.7	L574 V575	A571-L574 PolarHBondContact O-N 3.26Å; A571-V575 VanDerWaalsContact O-CG2 3.29Å; A571-V575 WeakPolarHBondContact O-CG2 3.22Å; A571-V575 PolarHBondContact O-N 3.13Å
572	E	68.5	Low	72.3	Confident	100 Å²	100	75.4 Å²	75.4	47%	0.467	41%	0.412	S	S	.	.	H	α-helix	trans	-59.5	-46.5	173.1	-59.2	167.7	178.7	0	0	112.5	K341 S570 V575 R576	K341-E572 IonicContact NZ-OE2 3.32Å; K341-E572 PolarHBondContact NZ-OE2 3.19Å; S570-E572 PolarHBondContact O-N 3.08Å; E572-V575 PolarHBondContact O-N 3Å; E572-R576 PolarHBondContact O-N 3.2Å
573	S	69.4	Low	71.3	Confident	21 Å²	21	75.3 Å²	75.3	15%	0.147	41%	0.411	C	S	.	.	H	α-helix	trans	-66.4	-42.6	178.8	-172.7	0	0	0	0	111.3	S570 V575 R576 N577	S570-S573 WeakPolarHBondContact O-CB 3.42Å; S570-S573 PolarHBondContact O-N 3.42Å; S570-S573 WeakPolarHBondContact OG-CB 3.32Å; S570-S573 PolarHBondContact OG-N 3.35Å; S573-V575 PolarHBondContact O-N 3.34Å; S573-R576 PolarHBondContact O-N 3.28Å; S573-N577 WeakPolarHBondContact O-CB 3.18Å; S573-N577 PolarHBondContact O-N 3.41Å; S573-N577 PolarHBondContact O-ND2 2.9Å
574	L	73.8	Confident	70.7	Confident	85 Å²	85	74.9 Å²	74.9	45%	0.445	41%	0.405	S	S	.	.	H	α-helix	trans	-59.8	-43.8	173.7	-88.2	151.9	0	0	0	112.6	Y569 S570 A571 N577 L578	Y569-L574 HydrophobicContact CD1-CD1 4.24Å; Y569-L574 HydrophobicContact CD1-CD2 4.32Å; Y569-L574 HydrophobicContact CD1-CG 4.21Å; S570-L574 PolarHBondContact O-N 2.92Å; A571-L574 PolarHBondContact O-N 3.26Å; L574-N577 PolarHBondContact O-N 3.13Å; L574-L578 VanDerWaalsContact O-CB 3.28Å; L574-L578 WeakPolarHBondContact O-CB 3.35Å; L574-L578 PolarHBondContact O-N 3.39Å
575	V	71.8	Confident	70.4	Confident	82 Å²	82	77.3 Å²	77.3	50%	0.497	42%	0.415	S	S	.	.	H	α-helix	trans	-64.8	-45.4	177.6	169.3	0	0	0	0	111.3	A571 E572 S573 L578 Q579	A571-V575 VanDerWaalsContact O-CG2 3.29Å; A571-V575 WeakPolarHBondContact O-CG2 3.22Å; A571-V575 PolarHBondContact O-N 3.13Å; E572-V575 PolarHBondContact O-N 3Å; S573-V575 PolarHBondContact O-N 3.34Å; V575-L578 PolarHBondContact O-N 3.22Å; V575-Q579 PolarHBondContact O-N 3.32Å
576	R	72.2	Confident	70.7	Confident	14 Å²	14	74.5 Å²	74.5	5%	0.053	40%	0.404	C	S	.	.	H	α-helix	trans	-60.2	-47.4	174.7	-75.6	-172.5	-69.9	-87.7	-0.1	112.5	D342 L401 D403 E572 S573 L578 Q579 W580	D342-R576 IonicContact OD2-NE 2.68Å; D342-R576 PolarHBondContact OD2-NE 3.27Å; L401-R576 HydrophobicContact CD2-CB 4.13Å; L401-R576 HydrophobicContact CD2-CG 4.11Å; L401-R576 WeakPolarHBondContact O-CD 3.34Å; D403-R576 IonicContact OD2-CZ 2.7Å; D403-R576 IonicContact OD2-NH1 3.85Å; D403-R576 PolarHBondContact OD2-NH1 3.18Å; D403-R576 IonicContact OD2-NH2 3.03Å; D403-R576 PolarHBondContact OD2-NH2 2.89Å; E572-R576 PolarHBondContact O-N 3.2Å; S573-R576 PolarHBondContact O-N 3.28Å; R576-L578 VanDerWaalsContact C-N 3.31Å; R576-L578 PolarHBondContact O-N 3.38Å; R576-Q579 PolarHBondContact O-N 2.93Å; R576-W580 WeakPolarHBondContact O-CB 3.33Å; R576-W580 PolarHBondContact O-N 3.47Å
577	N	73.9	Confident	72.2	Confident	61 Å²	61	72.5 Å²	72.5	33%	0.326	38%	0.379	S	S	.	.	H	α-helix	trans	-57.1	-45.3	175.8	-74.2	-24.2	0	0	0	111.1	K379 S573 L574 A581	K379-N577 WeakPolarHBondContact CE-OD1 3.24Å; K379-N577 PolarHBondContact NZ-OD1 3.4Å; S573-N577 WeakPolarHBondContact O-CB 3.18Å; S573-N577 PolarHBondContact O-N 3.41Å; S573-N577 PolarHBondContact O-ND2 2.9Å; L574-N577 PolarHBondContact O-N 3.13Å; N577-A581 WeakPolarHBondContact O-CB 3.48Å; N577-A581 PolarHBondContact O-N 3.41Å
578	L	75.1	Confident	74.3	Confident	104 Å²	104	76.1 Å²	76.1	55%	0.545	39%	0.389	S	S	.	.	H	α-helix	trans	-68.8	-39.7	-179.3	-163.9	82.2	0	0	0	112.5	L574 V575 R576 K582	L574-L578 VanDerWaalsContact O-CB 3.28Å; L574-L578 WeakPolarHBondContact O-CB 3.35Å; L574-L578 PolarHBondContact O-N 3.39Å; V575-L578 PolarHBondContact O-N 3.22Å; R576-L578 VanDerWaalsContact C-N 3.31Å; R576-L578 PolarHBondContact O-N 3.38Å; L578-K582 WeakPolarHBondContact O-CB 3.45Å; L578-K582 VanDerWaalsContact O-CG 3.23Å; L578-K582 WeakPolarHBondContact O-CG 3.33Å; L578-K582 PolarHBondContact O-N 3.16Å; L578-K582 VanDerWaalsContact O-N 3.08Å
579	Q	71.8	Confident	76.5	Confident	51 Å²	51	71.1 Å²	71.1	24%	0.238	37%	0.373	C	S	.	.	H	α-helix	trans	-64.2	-47.5	174.5	-79.9	-179.9	-78.8	0	0	111.4	L401 V575 R576 K582 A583	L401-Q579 HydrophobicContact CD2-CB 3.94Å; V575-Q579 PolarHBondContact O-N 3.32Å; R576-Q579 PolarHBondContact O-N 2.93Å; Q579-K582 PolarHBondContact O-N 2.71Å; Q579-A583 PolarHBondContact O-N 3.21Å
580	W	77.6	Confident	78.3	Confident	61 Å²	61	65.1 Å²	65.1	23%	0.231	35%	0.352	C	S	.	.	H	α-helix	trans	-66.6	-41	179.2	-177.6	81.1	0	0	0	112.7	K379 V380 R576 K582 A583 H584	K379-W580 VanDerWaalsContact C-NE1 3.3Å; K379-W580 HydrophobicContact CB-CD2 3.93Å; K379-W580 HydrophobicContact CB-CG 3.79Å; K379-W580 HydrophobicContact CG-CD2 3.87Å; K379-W580 HydrophobicContact CG-CE3 4.24Å; K379-W580 HydrophobicContact CG-CG 3.99Å; V380-W580 PolarHBondContact O-NE1 3.38Å; R576-W580 WeakPolarHBondContact O-CB 3.33Å; R576-W580 PolarHBondContact O-N 3.47Å; W580-K582 PolarHBondContact O-N 2.89Å; W580-A583 PolarHBondContact O-N 2.95Å; W580-H584 AromaticContact CD1-CE1 3.85Å; W580-H584 AromaticContact CD1-ND1 3.91Å; W580-H584 AromaticContact CD2-ND1 3.8Å; W580-H584 AromaticContact CE2-CE1 3.55Å; W580-H584 AromaticContact CE2-ND1 3.37Å; W580-H584 AromaticContact CZ2-CE1 3.88Å; W580-H584 AromaticContact CZ2-ND1 3.67Å; W580-H584 AromaticContact NE1-CE1 3.21Å; W580-H584 PolarHBondContact NE1-CE1 3.05Å; W580-H584 AromaticContact NE1-ND1 3.44Å; W580-H584 PolarHBondContact NE1-ND1 3.47Å; W580-H584 PolarHBondContact O-ND1 2.96Å
581	A	75.5	Confident	79.8	Confident	45 Å²	45	65.8 Å²	65.8	37%	0.372	36%	0.356	S	S	.	.	H	α-helix	trans	-62.4	-41	176.9	0	0	0	0	0	111.9	N577 A583 H584 E585	N577-A581 WeakPolarHBondContact O-CB 3.48Å; N577-A581 PolarHBondContact O-N 3.41Å; A581-A583 PolarHBondContact O-N 3.32Å; A581-H584 PolarHBondContact O-N 2.94Å; A581-E585 PolarHBondContact O-N 3.36Å; A581-E585 VanDerWaalsContact O-N 3.15Å
582	K	72.8	Confident	81.3	Confident	86 Å²	86	62.7 Å²	62.7	37%	0.374	33%	0.329	S	S	.	.	H	α-helix	trans	-55.8	-36.2	174.8	-80.7	172.1	179.9	-175.4	0	112.8	L578 Q579 W580 H584 K714	L578-K582 WeakPolarHBondContact O-CB 3.45Å; L578-K582 VanDerWaalsContact O-CG 3.23Å; L578-K582 WeakPolarHBondContact O-CG 3.33Å; L578-K582 PolarHBondContact O-N 3.16Å; L578-K582 VanDerWaalsContact O-N 3.08Å; Q579-K582 PolarHBondContact O-N 2.71Å; W580-K582 PolarHBondContact O-N 2.89Å; K582-H584 VanDerWaalsContact C-N 3.25Å; K582-H584 PolarHBondContact O-N 3.41Å; K582-K714 HydrophobicContact CB-CD 3.97Å; K582-K714 HydrophobicContact CB-CG 4.26Å; K582-K714 HydrophobicContact CG-CD 4.16Å; K582-K714 WeakPolarHBondContact O-CB 3.32Å; K582-K714 VanDerWaalsContact O-CD 3.26Å; K582-K714 WeakPolarHBondContact O-CD 3.32Å
583	A	74.4	Confident	82.7	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.008	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-7	179.8	0	0	0	0	0	114.5	Q579 W580 A581 L711 I712 L715	Q579-A583 PolarHBondContact O-N 3.21Å; W580-A583 PolarHBondContact O-N 2.95Å; A581-A583 PolarHBondContact O-N 3.32Å; A583-L711 CarbonylContact O-C 3.23Å; A583-L711 VanDerWaalsContact O-CA 3.25Å; A583-L711 WeakPolarHBondContact O-CA 3.49Å; A583-I712 HydrophobicContact CB-CD1 4.17Å; A583-I712 PolarHBondContact O-N 3.09Å; A583-L715 HydrophobicContact CB-CD1 4.02Å; A583-L715 HydrophobicContact CB-CD2 4.37Å; A583-L715 HydrophobicContact CB-CG 4.12Å
584	H	82.6	Confident	84	Confident	41 Å²	41	64 Å²	64	19%	0.19	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126	2.5	-174.2	-69.3	93.4	0	0	0	114.2	V380 W580 A581 K582 L586 S609	V380-H584 PolarHBondContact O-CE1 3.46Å; V380-H584 PolarHBondContact O-NE2 2.73Å; V380-H584 VanDerWaalsContact O-NE2 3.13Å; W580-H584 AromaticContact CD1-CE1 3.85Å; W580-H584 AromaticContact CD1-ND1 3.91Å; W580-H584 AromaticContact CD2-ND1 3.8Å; W580-H584 AromaticContact CE2-CE1 3.55Å; W580-H584 AromaticContact CE2-ND1 3.37Å; W580-H584 AromaticContact CZ2-CE1 3.88Å; W580-H584 AromaticContact CZ2-ND1 3.67Å; W580-H584 AromaticContact NE1-CE1 3.21Å; W580-H584 PolarHBondContact NE1-CE1 3.05Å; W580-H584 AromaticContact NE1-ND1 3.44Å; W580-H584 PolarHBondContact NE1-ND1 3.47Å; W580-H584 PolarHBondContact O-ND1 2.96Å; A581-H584 PolarHBondContact O-N 2.94Å; K582-H584 VanDerWaalsContact C-N 3.25Å; K582-H584 PolarHBondContact O-N 3.41Å; H584-L586 PolarHBondContact O-N 3.32Å; H584-S609 PolarHBondContact NE2-OG 2.9Å
585	E	85.8	Confident	85.1	Confident	107 Å²	107	67.8 Å²	67.8	50%	0.5	35%	0.351	S	S	.	.			trans	-77	110.7	178.5	-158.8	179.9	144.8	0	0	109.9	A581 L711 K714	A581-E585 PolarHBondContact O-N 3.36Å; A581-E585 VanDerWaalsContact O-N 3.15Å; E585-L711 PolarHBondContact O-N 3.08Å; E585-K714 IonicContact OE1-NZ 2.64Å; E585-K714 PolarHBondContact OE1-NZ 3Å; E585-K714 VanDerWaalsContact OE1-NZ 3.14Å; E585-K714 IonicContact OE2-NZ 2.75Å; E585-K714 PolarHBondContact OE2-NZ 2.99Å
586	L	90.9	Very high	86.1	Confident	62 Å²	62	64.3 Å²	64.3	33%	0.325	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-74.9	148.9	169.1	-80.4	169	0	0	0	110.4	H584 F604 A606 M612 L711	H584-L586 PolarHBondContact O-N 3.32Å; L586-F604 HydrophobicContact CD2-CB 4.17Å; L586-A606 HydrophobicContact CD1-CB 4.09Å; L586-A606 HydrophobicContact CD2-CB 4Å; L586-A606 HydrophobicContact CG-CB 4.2Å; L586-M612 HydrophobicContact CD2-CG 3.98Å; L586-M612 HydrophobicContact CD2-SD 3.89Å; L586-L711 HydrophobicContact CD2-CD1 4.22Å; L586-L711 HydrophobicContact CD2-CD2 3.97Å; L586-L711 HydrophobicContact CD2-CG 4.28Å; L586-L711 HydrophobicContact CG-CD2 4.05Å
587	P	93.9	Very high	87.2	Confident	23 Å²	23	65.1 Å²	65.1	15%	0.149	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-60.7	147.1	167.1	-18.9	31.9	0	0	0	111.6	F604 M612 V707 P710	P587-F604 HydrophobicContact CB-CD1 4.4Å; P587-F604 HydrophobicContact CB-CD2 3.77Å; P587-F604 HydrophobicContact CB-CE1 4.48Å; P587-F604 HydrophobicContact CB-CE2 3.88Å; P587-F604 HydrophobicContact CB-CG 4.06Å; P587-F604 HydrophobicContact CB-CZ 4.25Å; P587-F604 HydrophobicContact CG-CD1 4.18Å; P587-F604 HydrophobicContact CG-CD2 4.37Å; P587-F604 HydrophobicContact CG-CE1 4.45Å; P587-F604 HydrophobicContact CG-CG 4.15Å; P587-F604 WeakPolarHBondContact O-CD2 3.37Å; P587-M612 HydrophobicContact CG-SD 4.21Å; P587-V707 HydrophobicContact CB-CB 3.89Å; P587-V707 HydrophobicContact CB-CG1 4.11Å; P587-V707 HydrophobicContact CG-CB 3.81Å; P587-V707 HydrophobicContact CG-CG1 4.38Å; P587-V707 HydrophobicContact CG-CG2 4.02Å; P587-P710 HydrophobicContact CG-CB 4.01Å
588	E	93.4	Very high	88.3	Confident	177 Å²	177	62.2 Å²	62.2	83%	0.827	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-66.1	138	173.4	-65.7	-173.9	168.8	0	0	111.2	F604	E588-F604 WeakPolarHBondContact O-CE2 3.33Å
589	S	94.7	Very high	89.4	Confident	69 Å²	69	59.8 Å²	59.8	48%	0.483	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-61.1	134.9	171.8	-67.9	0	0	0	0	110.7	L602	S589-L602 CarbonylContact C-O 3.58Å; S589-L602 WeakPolarHBondContact CA-O 3.14Å
590	M	95.4	Very high	90.6	Very high	58 Å²	58	57.3 Å²	57.3	29%	0.286	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	145.6	-174	62	177.2	62.9	0	0	112.7	L592 Q601 L602 V705 V707	M590-L592 HydrophobicContact CG-CD2 4.22Å; M590-L592 HydrophobicContact SD-CD2 3.79Å; M590-Q601 PolarHBondContact O-NE2 3.22Å; M590-L602 HydrophobicContact CG-CB 3.88Å; M590-L602 HydrophobicContact CG-CD2 3.85Å; M590-L602 HydrophobicContact CG-CG 4.31Å; M590-L602 PolarHBondContact N-O 3.38Å; M590-L602 PolarHBondContact O-N 2.97Å; M590-L602 HydrophobicContact SD-CD2 3.83Å; M590-V705 HydrophobicContact CE-CG1 4.15Å; M590-V705 HydrophobicContact SD-CG1 3.7Å; M590-V707 HydrophobicContact CE-CG1 4.35Å
591	C	96.9	Very high	91.6	Very high	57 Å²	57	57 Å²	57	39%	0.385	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	106.1	174.9	-178.7	0	0	0	0	109.1	I600	C591-I600 CarbonylContact C-O 3.56Å; C591-I600 WeakPolarHBondContact CA-O 3.31Å
592	L	97	Very high	92.7	Very high	11 Å²	11	54.9 Å²	54.9	6%	0.058	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	138.4	179.5	-58.5	178.3	0	0	0	109.7	M590 F594 Q599 I600 L602 V686 V705	M590-L592 HydrophobicContact CG-CD2 4.22Å; M590-L592 HydrophobicContact SD-CD2 3.79Å; L592-F594 HydrophobicContact CB-CE2 4.04Å; L592-Q599 CarbonylContact O-C 3.58Å; L592-Q599 VanDerWaalsContact O-CA 3.23Å; L592-Q599 WeakPolarHBondContact O-CA 3.36Å; L592-I600 PolarHBondContact N-O 2.97Å; L592-I600 PolarHBondContact O-N 3.44Å; L592-L602 HydrophobicContact CD1-CD2 4.38Å; L592-V686 HydrophobicContact CD1-CB 3.93Å; L592-V686 HydrophobicContact CD1-CG1 4.1Å; L592-V686 HydrophobicContact CD1-CG2 3.64Å; L592-V705 HydrophobicContact CD1-CG2 3.91Å; L592-V705 HydrophobicContact CD2-CG2 4.31Å
593	K	97.6	Very high	93.8	Very high	139 Å²	139	50.8 Å²	50.8	60%	0.604	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122	117.5	180	-58.3	-168.4	177.6	-180	0	109	Q599	K593-Q599 HydrophobicContact CG-CG 4.04Å
594	F	97.4	Very high	94.8	Very high	11 Å²	11	51.3 Å²	51.3	5%	0.048	27%	0.27	C	S	.	.			trans	-89.9	154.8	179.8	-75.2	-110.1	0	0	0	110.1	L592 C596 G597 V598 I600 V686 L688 D701 Q703	L592-F594 HydrophobicContact CB-CE2 4.04Å; F594-C596 PolarHBondContact O-N 3.07Å; F594-C596 VanDerWaalsContact O-N 3.15Å; F594-G597 PolarHBondContact O-N 3.45Å; F594-V598 PolarHBondContact N-O 3.26Å; F594-I600 HydrophobicContact CD2-CD1 3.93Å; F594-I600 HydrophobicContact CE2-CD1 3.47Å; F594-I600 VanDerWaalsContact CE2-CD1 3.47Å; F594-I600 HydrophobicContact CZ-CD1 4.02Å; F594-V686 HydrophobicContact CE2-CG1 4.44Å; F594-V686 HydrophobicContact CZ-CB 4.42Å; F594-V686 HydrophobicContact CZ-CG1 4.04Å; F594-L688 HydrophobicContact CB-CD2 3.77Å; F594-L688 HydrophobicContact CD1-CB 3.73Å; F594-L688 HydrophobicContact CD1-CD2 3.67Å; F594-L688 HydrophobicContact CD1-CG 4.36Å; F594-L688 HydrophobicContact CD2-CD2 4.32Å; F594-L688 HydrophobicContact CE1-CB 3.58Å; F594-L688 HydrophobicContact CE1-CD2 4.37Å; F594-L688 HydrophobicContact CG-CB 4.36Å; F594-L688 HydrophobicContact CG-CD2 3.65Å; F594-L688 HydrophobicContact CZ-CB 4.11Å; F594-D701 HydrophobicContact CD1-CB 4Å; F594-D701 WeakPolarHBondContact CD1-OD2 3.22Å; F594-D701 HydrophobicContact CE1-CB 4.5Å; F594-Q703 HydrophobicContact CE1-CB 4.31Å; F594-Q703 HydrophobicContact CZ-CB 3.97Å
595	D	95.8	Very high	95.3	Very high	164 Å²	164	50.3 Å²	50.3	88%	0.877	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-26.5	-175	-82.5	-14.9	0	0	0	112.5	G597	D595-G597 PolarHBondContact O-N 3.21Å
596	C	93.7	Very high	95.6	Very high	9 Å²	9	47.1 Å²	47.1	6%	0.061	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-0.8	173.5	69.1	0	0	0	0	114.5	F594 I625 L688 Y690	F594-C596 PolarHBondContact O-N 3.07Å; F594-C596 VanDerWaalsContact O-N 3.15Å; C596-I625 HydrophobicContact CB-CD1 4.01Å; C596-L688 VanDerWaalsContact SG-CD2 3.51Å; C596-Y690 HydrophobicContact CB-CD2 4.17Å; C596-Y690 HydrophobicContact CB-CE1 4.22Å; C596-Y690 HydrophobicContact CB-CE2 3.43Å; C596-Y690 VanDerWaalsContact CB-CE2 3.43Å; C596-Y690 VanDerWaalsContact CB-CZ 3.46Å; C596-Y690 WeakPolarHBondContact CB-OH 3.36Å
597	G	95.1	Very high	95.7	Very high	31 Å²	31	44.5 Å²	44.5	32%	0.32	25%	0.247	S	C	.	.	S	Bend	trans	89.2	-5.6	177.5	0	0	0	0	0	115.3	F594 D595 Y620	F594-G597 PolarHBondContact O-N 3.45Å; D595-G597 PolarHBondContact O-N 3.21Å; G597-Y620 VanDerWaalsContact O-CD1 3.31Å; G597-Y620 WeakPolarHBondContact O-CD1 3.38Å
598	V	97.3	Very high	95.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.24	C	C	.	.			trans	-66.3	141.7	173.3	176.8	0	0	0	0	110.3	F594 I600 I618 Y620 I625 L688	F594-V598 PolarHBondContact N-O 3.26Å; V598-I600 HydrophobicContact CG1-CG1 4.34Å; V598-I618 HydrophobicContact CG1-CG2 3.93Å; V598-Y620 WeakPolarHBondContact CA-O 3.46Å; V598-I625 HydrophobicContact CG2-CD1 3.57Å; V598-L688 HydrophobicContact CB-CD1 4.5Å; V598-L688 HydrophobicContact CB-CD2 3.77Å; V598-L688 HydrophobicContact CG1-CD1 3.92Å; V598-L688 HydrophobicContact CG1-CD2 4.04Å; V598-L688 HydrophobicContact CG2-CD2 4.09Å
599	Q	97.8	Very high	95.8	Very high	52 Å²	52	35.2 Å²	35.2	24%	0.243	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.3	174.1	-49	-178.1	32.3	0	0	110.5	L592 K593 V619 Y620	L592-Q599 CarbonylContact O-C 3.58Å; L592-Q599 VanDerWaalsContact O-CA 3.23Å; L592-Q599 WeakPolarHBondContact O-CA 3.36Å; K593-Q599 HydrophobicContact CG-CG 4.04Å; Q599-V619 HydrophobicContact CB-CG2 3.93Å; Q599-V619 WeakPolarHBondContact O-CG2 3.48Å; Q599-V619 PolarHBondContact O-N 3.44Å; Q599-Y620 HydrophobicContact CG-CD1 4.17Å; Q599-Y620 PolarHBondContact N-O 3.12Å; Q599-Y620 PolarHBondContact O-N 2.61Å
600	I	97.8	Very high	95.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	125.2	-179.5	-69.5	152.9	0	0	0	108.7	C591 L592 F594 V598 T616 S617 I618 A630 V686 L688	C591-I600 CarbonylContact C-O 3.56Å; C591-I600 WeakPolarHBondContact CA-O 3.31Å; L592-I600 PolarHBondContact N-O 2.97Å; L592-I600 PolarHBondContact O-N 3.44Å; F594-I600 HydrophobicContact CD2-CD1 3.93Å; F594-I600 HydrophobicContact CE2-CD1 3.47Å; F594-I600 VanDerWaalsContact CE2-CD1 3.47Å; F594-I600 HydrophobicContact CZ-CD1 4.02Å; V598-I600 HydrophobicContact CG1-CG1 4.34Å; I600-T616 HydrophobicContact CG2-CG2 4.28Å; I600-S617 CarbonylContact C-O 3.6Å; I600-S617 WeakPolarHBondContact CA-O 3.42Å; I600-I618 HydrophobicContact CG1-CG1 4.27Å; I600-A630 HydrophobicContact CD1-CB 3.49Å; I600-A630 VanDerWaalsContact CD1-CB 3.49Å; I600-A630 HydrophobicContact CG1-CB 3.82Å; I600-V686 HydrophobicContact CD1-CG1 4.21Å; I600-L688 HydrophobicContact CD1-CB 4.4Å; I600-L688 HydrophobicContact CD1-CD1 4.05Å
601	Q	97.7	Very high	95.8	Very high	54 Å²	54	29.2 Å²	29.2	25%	0.252	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	125.4	166	-175.8	64.8	55.8	0	0	108.7	M590 T616 S617 V619	M590-Q601 PolarHBondContact O-NE2 3.22Å; Q601-T616 VanDerWaalsContact O-CA 3.32Å; Q601-T616 WeakPolarHBondContact O-CA 3.49Å; Q601-S617 PolarHBondContact N-O 3.17Å; Q601-S617 PolarHBondContact O-N 3.46Å; Q601-V619 HydrophobicContact CB-CG1 3.55Å; Q601-V619 HydrophobicContact CB-CG2 4.41Å
602	L	97.7	Very high	95.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	131.1	169.1	-177.1	70.3	0	0	0	107.7	S589 M590 L592 F604 I614 Y615 T616 F684 V686 V705	S589-L602 CarbonylContact C-O 3.58Å; S589-L602 WeakPolarHBondContact CA-O 3.14Å; M590-L602 HydrophobicContact CG-CB 3.88Å; M590-L602 HydrophobicContact CG-CD2 3.85Å; M590-L602 HydrophobicContact CG-CG 4.31Å; M590-L602 PolarHBondContact N-O 3.38Å; M590-L602 PolarHBondContact O-N 2.97Å; M590-L602 HydrophobicContact SD-CD2 3.83Å; L592-L602 HydrophobicContact CD1-CD2 4.38Å; L602-F604 HydrophobicContact CD2-CE2 4.46Å; L602-F604 HydrophobicContact CD2-CZ 3.8Å; L602-F604 HydrophobicContact CG-CE2 4.27Å; L602-F604 HydrophobicContact CG-CZ 3.85Å; L602-I614 HydrophobicContact CD1-CG2 3.47Å; L602-I614 VanDerWaalsContact CD1-CG2 3.47Å; L602-Y615 WeakPolarHBondContact CA-O 3.32Å; L602-T616 HydrophobicContact CD1-CG2 3.47Å; L602-T616 VanDerWaalsContact CD1-CG2 3.47Å; L602-F684 HydrophobicContact CD1-CE2 4.34Å; L602-F684 HydrophobicContact CD1-CZ 4.48Å; L602-F684 HydrophobicContact CD2-CE2 4.23Å; L602-F684 HydrophobicContact CD2-CZ 3.99Å; L602-V686 HydrophobicContact CD2-CG2 4.47Å; L602-V705 HydrophobicContact CD2-CG1 3.92Å; L602-V705 HydrophobicContact CD2-CG2 4.29Å
603	G	96.3	Very high	95.8	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	165.8	179.2	0	0	0	0	0	112.7	I614 Y615	G603-I614 WeakPolarHBondContact O-CA 3.39Å; G603-Y615 PolarHBondContact N-O 3.15Å; G603-Y615 WeakPolarHBondContact O-CD1 3.35Å; G603-Y615 PolarHBondContact O-N 3.49Å
604	F	96	Very high	95.8	Very high	13 Å²	13	19.4 Å²	19.4	6%	0.057	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	138.1	-169.5	-52.8	-85.4	0	0	0	110.6	L586 P587 E588 L602 M612 I613 I614 F684 V707	L586-F604 HydrophobicContact CD2-CB 4.17Å; P587-F604 HydrophobicContact CB-CD1 4.4Å; P587-F604 HydrophobicContact CB-CD2 3.77Å; P587-F604 HydrophobicContact CB-CE1 4.48Å; P587-F604 HydrophobicContact CB-CE2 3.88Å; P587-F604 HydrophobicContact CB-CG 4.06Å; P587-F604 HydrophobicContact CB-CZ 4.25Å; P587-F604 HydrophobicContact CG-CD1 4.18Å; P587-F604 HydrophobicContact CG-CD2 4.37Å; P587-F604 HydrophobicContact CG-CE1 4.45Å; P587-F604 HydrophobicContact CG-CG 4.15Å; P587-F604 WeakPolarHBondContact O-CD2 3.37Å; E588-F604 WeakPolarHBondContact O-CE2 3.33Å; L602-F604 HydrophobicContact CD2-CE2 4.46Å; L602-F604 HydrophobicContact CD2-CZ 3.8Å; L602-F604 HydrophobicContact CG-CE2 4.27Å; L602-F604 HydrophobicContact CG-CZ 3.85Å; F604-M612 HydrophobicContact CB-SD 4.21Å; F604-M612 HydrophobicContact CD1-CE 3.96Å; F604-M612 HydrophobicContact CD1-SD 3.94Å; F604-M612 HydrophobicContact CE1-CE 4.47Å; F604-M612 HydrophobicContact CG-SD 4.45Å; F604-I613 WeakPolarHBondContact CA-O 3.34Å; F604-I614 HydrophobicContact CD1-CG1 3.92Å; F604-I614 HydrophobicContact CE1-CD1 4.28Å; F604-I614 HydrophobicContact CE1-CG1 3.92Å; F604-F684 HydrophobicContact CE1-CZ 4.33Å; F604-V707 HydrophobicContact CE1-CG1 4.1Å; F604-V707 HydrophobicContact CE2-CG1 4.43Å; F604-V707 HydrophobicContact CZ-CG1 3.68Å
605	A	93.9	Very high	95.8	Very high	19 Å²	19	20.4 Å²	20.4	16%	0.157	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	147.3	172.2	0	0	0	0	0	110.7	M612 I613 L663	A605-M612 CarbonylContact O-C 3.04Å; A605-M612 VanDerWaalsContact O-CA 3.32Å; A605-M612 WeakPolarHBondContact O-CA 3.28Å; A605-M612 WeakPolarHBondContact O-CG 3.32Å; A605-I613 PolarHBondContact N-O 2.77Å; A605-I613 PolarHBondContact O-N 2.71Å; A605-L663 HydrophobicContact CB-CD2 3.66Å
606	A	92.3	Very high	95.9	Very high	41 Å²	41	12.8 Å²	12.8	34%	0.339	8%	0.079	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	125.9	175.9	0	0	0	0	0	110.1	L586 L711	L586-A606 HydrophobicContact CD1-CB 4.09Å; L586-A606 HydrophobicContact CD2-CB 4Å; L586-A606 HydrophobicContact CG-CB 4.2Å; A606-L711 HydrophobicContact CB-CD1 3.91Å; A606-L711 HydrophobicContact CB-CD2 4.3Å
607	E	91.9	Very high	96	Very high	7 Å²	7	13.8 Å²	13.8	3%	0.033	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	-40.2	168.5	-158.5	-178.4	-160.2	0	0	109.8	V611 L658 V659 R671	E607-V611 HydrophobicContact CB-CB 4.21Å; E607-V611 HydrophobicContact CB-CG1 3.9Å; E607-V611 PolarHBondContact N-O 2.92Å; E607-V611 WeakPolarHBondContact OE2-CG1 3.48Å; E607-L658 HydrophobicContact CG-CB 4.17Å; E607-L658 HydrophobicContact CG-CD1 4.18Å; E607-V659 HydrophobicContact CB-CG1 4.46Å; E607-V659 HydrophobicContact CB-CG2 4.28Å; E607-V659 HydrophobicContact CG-CG1 4.21Å; E607-V659 HydrophobicContact CG-CG2 4.11Å; E607-R671 IonicContact OE1-NH2 3.79Å; E607-R671 IonicContact OE2-CZ 3.73Å; E607-R671 IonicContact OE2-NE 2.81Å; E607-R671 PolarHBondContact OE2-NE 2.63Å; E607-R671 IonicContact OE2-NH2 2.67Å; E607-R671 PolarHBondContact OE2-NH2 3.08Å
608	F	94.3	Very high	96.1	Very high	3 Å²	3	15.2 Å²	15.2	1%	0.013	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	169.2	175.3	-59.6	-88.8	0	0	0	109.7	L363 V366 Y367 L384 N610 V611 L658	L363-F608 HydrophobicContact CD1-CE2 4.47Å; L363-F608 HydrophobicContact CG-CE2 4.36Å; L363-F608 HydrophobicContact CG-CZ 4.19Å; L363-F608 WeakPolarHBondContact O-CZ 3.47Å; V366-F608 HydrophobicContact CB-CE1 4.12Å; V366-F608 HydrophobicContact CG1-CD1 3.94Å; V366-F608 HydrophobicContact CG1-CE1 3.74Å; Y367-F608 HydrophobicContact CD2-CE1 4.46Å; Y367-F608 HydrophobicContact CD2-CZ 4.36Å; L384-F608 HydrophobicContact CD1-CD1 4.33Å; L384-F608 HydrophobicContact CD1-CD2 3.52Å; L384-F608 HydrophobicContact CD1-CE1 4.16Å; L384-F608 HydrophobicContact CD1-CE2 3.33Å; L384-F608 HydrophobicContact CD1-CG 4.04Å; L384-F608 HydrophobicContact CD1-CZ 3.68Å; L384-F608 HydrophobicContact CD2-CD1 4.41Å; L384-F608 HydrophobicContact CD2-CE1 4.18Å; L384-F608 HydrophobicContact CD2-CZ 4.37Å; L384-F608 HydrophobicContact CG-CD1 4.07Å; L384-F608 HydrophobicContact CG-CD2 4Å; L384-F608 HydrophobicContact CG-CE1 4.18Å; L384-F608 HydrophobicContact CG-CE2 4.12Å; L384-F608 HydrophobicContact CG-CG 3.99Å; L384-F608 HydrophobicContact CG-CZ 4.2Å; F608-N610 PolarHBondContact O-N 2.93Å; F608-N610 VanDerWaalsContact O-N 3.11Å; F608-V611 HydrophobicContact CB-CB 3.97Å; F608-V611 HydrophobicContact CB-CG2 3.94Å; F608-V611 HydrophobicContact CD2-CB 3.89Å; F608-V611 HydrophobicContact CD2-CG1 4.44Å; F608-V611 HydrophobicContact CD2-CG2 3.8Å; F608-V611 HydrophobicContact CG-CB 4.43Å; F608-V611 HydrophobicContact CG-CG2 4.27Å; F608-V611 PolarHBondContact N-O 3.35Å; F608-V611 PolarHBondContact O-N 3.22Å; F608-L658 HydrophobicContact CE2-CD1 3.81Å; F608-L658 HydrophobicContact CZ-CD1 3.55Å
609	S	94.4	Very high	96	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.007	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-23.6	177.8	-47.7	0	0	0	0	112.9	S382 H584 L711 I712	S382-S609 PolarHBondContact N-OG 3.42Å; S382-S609 WeakPolarHBondContact O-CA 3.14Å; S382-S609 WeakPolarHBondContact O-CB 3.47Å; S382-S609 PolarHBondContact O-N 2.84Å; S382-S609 PolarHBondContact O-OG 3.16Å; H584-S609 PolarHBondContact NE2-OG 2.9Å; S609-L711 WeakPolarHBondContact O-CB 3.36Å; S609-I712 VanDerWaalsContact O-CB 3.24Å; S609-I712 WeakPolarHBondContact O-CB 3.32Å; S609-I712 WeakPolarHBondContact O-CG2 3.46Å; S609-I712 PolarHBondContact O-N 3.15Å
610	N	95.4	Very high	96	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	5.5	172.2	72.7	-39.6	0	0	0	115.8	L383 L384 F608 S673 L675 Q676 I712	L383-N610 WeakPolarHBondContact CA-OD1 3.18Å; L383-N610 HydrophobicContact CD2-CB 3.68Å; L384-N610 PolarHBondContact N-OD1 3.41Å; L384-N610 PolarHBondContact O-ND2 3.07Å; F608-N610 PolarHBondContact O-N 2.93Å; F608-N610 VanDerWaalsContact O-N 3.11Å; N610-S673 CarbonylContact O-C 3.03Å; N610-L675 WeakPolarHBondContact O-CB 3.2Å; N610-L675 WeakPolarHBondContact O-CG 3.49Å; N610-L675 PolarHBondContact O-N 2.87Å; N610-Q676 HydrophobicContact CB-CB 4.31Å; N610-Q676 PolarHBondContact ND2-OE1 2.91Å; N610-I712 HydrophobicContact CB-CG2 3.76Å
611	V	96	Very high	96	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.006	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	113.7	-176.9	-175.5	0	0	0	0	110.4	L384 E607 F608 R671 L672	L384-V611 HydrophobicContact CD1-CG2 4.4Å; E607-V611 HydrophobicContact CB-CB 4.21Å; E607-V611 HydrophobicContact CB-CG1 3.9Å; E607-V611 PolarHBondContact N-O 2.92Å; E607-V611 WeakPolarHBondContact OE2-CG1 3.48Å; F608-V611 HydrophobicContact CB-CB 3.97Å; F608-V611 HydrophobicContact CB-CG2 3.94Å; F608-V611 HydrophobicContact CD2-CB 3.89Å; F608-V611 HydrophobicContact CD2-CG1 4.44Å; F608-V611 HydrophobicContact CD2-CG2 3.8Å; F608-V611 HydrophobicContact CG-CB 4.43Å; F608-V611 HydrophobicContact CG-CG2 4.27Å; F608-V611 PolarHBondContact N-O 3.35Å; F608-V611 PolarHBondContact O-N 3.22Å; V611-R671 HydrophobicContact CG1-CG 4.1Å; V611-L672 WeakPolarHBondContact CA-O 3.35Å
612	M	96.1	Very high	95.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	145.7	178.1	-175	176.4	71.1	0	0	110.6	L586 P587 F604 A605 I614 L672 L675 L682 P710 L711	L586-M612 HydrophobicContact CD2-CG 3.98Å; L586-M612 HydrophobicContact CD2-SD 3.89Å; P587-M612 HydrophobicContact CG-SD 4.21Å; F604-M612 HydrophobicContact CB-SD 4.21Å; F604-M612 HydrophobicContact CD1-CE 3.96Å; F604-M612 HydrophobicContact CD1-SD 3.94Å; F604-M612 HydrophobicContact CE1-CE 4.47Å; F604-M612 HydrophobicContact CG-SD 4.45Å; A605-M612 CarbonylContact O-C 3.04Å; A605-M612 VanDerWaalsContact O-CA 3.32Å; A605-M612 WeakPolarHBondContact O-CA 3.28Å; A605-M612 WeakPolarHBondContact O-CG 3.32Å; M612-I614 HydrophobicContact CE-CD1 4.45Å; M612-I614 HydrophobicContact CE-CG1 4.22Å; M612-L672 HydrophobicContact CE-CD1 4.07Å; M612-L672 PolarHBondContact N-O 3.44Å; M612-L672 PolarHBondContact O-N 2.79Å; M612-L675 HydrophobicContact CB-CD1 3.71Å; M612-L682 HydrophobicContact CE-CD2 3.58Å; M612-P710 HydrophobicContact CE-CB 4.15Å; M612-P710 HydrophobicContact CE-CG 4.01Å; M612-P710 HydrophobicContact SD-CB 3.92Å; M612-P710 HydrophobicContact SD-CG 4.4Å; M612-L711 HydrophobicContact CB-CD1 4.02Å
613	I	97	Very high	95.8	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	128.8	173.3	-58.9	171.1	0	0	0	108	F604 A605 S656 V659 L663 Y669 T670 R671	F604-I613 WeakPolarHBondContact CA-O 3.34Å; A605-I613 PolarHBondContact N-O 2.77Å; A605-I613 PolarHBondContact O-N 2.71Å; I613-S656 VanDerWaalsContact CD1-CB 3.48Å; I613-S656 WeakPolarHBondContact CD1-OG 3.29Å; I613-V659 HydrophobicContact CD1-CG2 3.33Å; I613-L663 HydrophobicContact CD1-CD1 3.97Å; I613-L663 HydrophobicContact CG2-CD1 4.16Å; I613-Y669 HydrophobicContact CG2-CD1 4.47Å; I613-T670 WeakPolarHBondContact CA-O 3.2Å; I613-R671 HydrophobicContact CG1-CG 4.32Å
614	I	97.8	Very high	95.7	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	136.8	168	-63.7	176.2	0	0	0	107.4	L602 G603 F604 M612 V632 F635 Y669 T670 L672 F684	L602-I614 HydrophobicContact CD1-CG2 3.47Å; L602-I614 VanDerWaalsContact CD1-CG2 3.47Å; G603-I614 WeakPolarHBondContact O-CA 3.39Å; F604-I614 HydrophobicContact CD1-CG1 3.92Å; F604-I614 HydrophobicContact CE1-CD1 4.28Å; F604-I614 HydrophobicContact CE1-CG1 3.92Å; M612-I614 HydrophobicContact CE-CD1 4.45Å; M612-I614 HydrophobicContact CE-CG1 4.22Å; I614-V632 HydrophobicContact CG2-CG1 4.38Å; I614-F635 HydrophobicContact CD1-CE1 3.72Å; I614-F635 HydrophobicContact CD1-CZ 4.08Å; I614-Y669 WeakPolarHBondContact O-CA 3.43Å; I614-T670 PolarHBondContact N-O 2.87Å; I614-T670 PolarHBondContact O-N 2.78Å; I614-L672 HydrophobicContact CD1-CD1 3.62Å; I614-L672 HydrophobicContact CD1-CG 4.31Å; I614-L672 HydrophobicContact CG1-CD1 4.26Å; I614-F684 HydrophobicContact CD1-CD1 4.49Å; I614-F684 HydrophobicContact CD1-CE1 3.9Å; I614-F684 HydrophobicContact CD1-CE2 4.21Å; I614-F684 HydrophobicContact CD1-CZ 3.73Å
615	Y	97.3	Very high	95.6	Very high	32 Å²	32	33.3 Å²	33.3	13%	0.125	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	140.8	172	60.6	-92.7	0	0	0	112.5	L602 G603 L663 P664 C667 L668	L602-Y615 WeakPolarHBondContact CA-O 3.32Å; G603-Y615 PolarHBondContact N-O 3.15Å; G603-Y615 WeakPolarHBondContact O-CD1 3.35Å; G603-Y615 PolarHBondContact O-N 3.49Å; Y615-L663 HydrophobicContact CD1-CD2 3.51Å; Y615-L663 HydrophobicContact CE1-CD2 3.72Å; Y615-L663 HydrophobicContact CG-CD2 4.37Å; Y615-P664 HydrophobicContact CD2-CG 4.35Å; Y615-P664 HydrophobicContact CE2-CB 4.4Å; Y615-P664 HydrophobicContact CE2-CG 3.65Å; Y615-C667 HydrophobicContact CD2-CB 4.38Å; Y615-L668 CarbonylContact C-O 3.52Å; Y615-L668 WeakPolarHBondContact CA-O 3.25Å
616	T	97.6	Very high	95.6	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.031	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	136.9	180	47.9	0	0	0	0	112.1	I600 Q601 L602 V632 C667 L668	I600-T616 HydrophobicContact CG2-CG2 4.28Å; Q601-T616 VanDerWaalsContact O-CA 3.32Å; Q601-T616 WeakPolarHBondContact O-CA 3.49Å; L602-T616 HydrophobicContact CD1-CG2 3.47Å; L602-T616 VanDerWaalsContact CD1-CG2 3.47Å; T616-V632 HydrophobicContact CG2-CG1 4.13Å; T616-C667 CarbonylContact O-C 3.52Å; T616-C667 WeakPolarHBondContact O-CA 3.47Å; T616-C667 VanDerWaalsContact O-CB 3.28Å; T616-C667 WeakPolarHBondContact O-CB 3.28Å; T616-L668 PolarHBondContact N-O 3.25Å; T616-L668 PolarHBondContact O-N 2.76Å
617	S	96.9	Very high	95.6	Very high	29 Å²	29	39.8 Å²	39.8	20%	0.203	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	149.3	169.3	55	0	0	0	0	112.1	I600 Q601 V619	I600-S617 CarbonylContact C-O 3.6Å; I600-S617 WeakPolarHBondContact CA-O 3.42Å; Q601-S617 PolarHBondContact N-O 3.17Å; Q601-S617 PolarHBondContact O-N 3.46Å; S617-V619 PolarHBondContact O-N 3.42Å
618	I	96.9	Very high	95.8	Very high	62 Å²	62	40.1 Å²	40.1	32%	0.318	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	107.1	179	-55.9	-178.2	0	0	0	108.2	V598 I600 K621 C628 A630	V598-I618 HydrophobicContact CG1-CG2 3.93Å; I600-I618 HydrophobicContact CG1-CG1 4.27Å; I618-K621 HydrophobicContact CG2-CB 4.3Å; I618-C628 HydrophobicContact CD1-CB 4.38Å; I618-C628 VanDerWaalsContact CD1-O 3.25Å; I618-C628 WeakPolarHBondContact CD1-O 3.26Å; I618-C628 VanDerWaalsContact CD1-SG 3.56Å; I618-A630 HydrophobicContact CD1-CB 4.23Å; I618-A630 HydrophobicContact CG1-CB 4.08Å
619	V	96.1	Very high	95.8	Very high	81 Å²	81	44.9 Å²	44.9	49%	0.491	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-22.9	-177.5	-69.6	0	0	0	0	113.2	Q599 Q601 S617	Q599-V619 HydrophobicContact CB-CG2 3.93Å; Q599-V619 WeakPolarHBondContact O-CG2 3.48Å; Q599-V619 PolarHBondContact O-N 3.44Å; Q601-V619 HydrophobicContact CB-CG1 3.55Å; Q601-V619 HydrophobicContact CB-CG2 4.41Å; S617-V619 PolarHBondContact O-N 3.42Å
620	Y	97.1	Very high	95.9	Very high	116 Å²	116	45.2 Å²	45.2	46%	0.455	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	130.4	172.4	178.4	-100.1	0	0	0	111	G597 V598 Q599 P622	G597-Y620 VanDerWaalsContact O-CD1 3.31Å; G597-Y620 WeakPolarHBondContact O-CD1 3.38Å; V598-Y620 WeakPolarHBondContact CA-O 3.46Å; Q599-Y620 HydrophobicContact CG-CD1 4.17Å; Q599-Y620 PolarHBondContact N-O 3.12Å; Q599-Y620 PolarHBondContact O-N 2.61Å; Y620-P622 HydrophobicContact CE1-CG 3.93Å
621	K	96.9	Very high	96	Very high	83 Å²	83	48.8 Å²	48.8	36%	0.361	25%	0.248	S	C	.	.			trans	-126	119.1	174.7	-175.1	-167.4	66.2	57.1	0	108.9	I618 I625 C628	I618-K621 HydrophobicContact CG2-CB 4.3Å; K621-I625 HydrophobicContact CD-CG2 4.2Å; K621-I625 HydrophobicContact CG-CB 4.24Å; K621-I625 HydrophobicContact CG-CG2 4.09Å; K621-I625 PolarHBondContact NZ-O 2.62Å; K621-C628 WeakPolarHBondContact CD-SG 3.49Å; K621-C628 VanDerWaalsContact CG-SG 3.57Å
622	P	96.8	Very high	96.1	Very high	4 Å²	4	49 Å²	49	3%	0.026	25%	0.249	C	C	.	.			trans	-53.6	151.1	174.7	-27.3	34.3	0	0	0	113.5	Y620 E624 I625	Y620-P622 HydrophobicContact CE1-CG 3.93Å; P622-E624 VanDerWaalsContact C-N 3.26Å; P622-E624 VanDerWaalsContact CB-CD 3.42Å; P622-E624 HydrophobicContact CB-CG 3.98Å; P622-E624 PolarHBondContact O-N 2.99Å; P622-I625 HydrophobicContact CG-CD1 4.33Å; P622-I625 PolarHBondContact O-N 3.18Å
623	P	94.5	Very high	96.1	Very high	110 Å²	110	51.1 Å²	51.1	71%	0.714	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-32.3	176.6	-25.6	34.8	0	0	0	114.6	I625	P623-I625 VanDerWaalsContact C-N 3.28Å; P623-I625 PolarHBondContact O-N 3.48Å
624	E	94.4	Very high	96.1	Very high	105 Å²	105	55.6 Å²	55.6	49%	0.491	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-17.2	-178.8	54.8	-91.7	-146.7	0	0	114.2	P622 Y692 S693	P622-E624 VanDerWaalsContact C-N 3.26Å; P622-E624 VanDerWaalsContact CB-CD 3.42Å; P622-E624 HydrophobicContact CB-CG 3.98Å; P622-E624 PolarHBondContact O-N 2.99Å; E624-Y692 HydrophobicContact CB-CD1 4.38Å; E624-Y692 HydrophobicContact CG-CD1 4.26Å; E624-Y692 HydrophobicContact CG-CE1 4.17Å; E624-Y692 CarbonylContact O-C 3.56Å; E624-Y692 WeakPolarHBondContact O-CA 3.28Å; E624-S693 PolarHBondContact O-N 3.49Å
625	I	95.1	Very high	96.1	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	120.5	176.5	-68.7	171.6	0	0	0	108.6	C596 V598 K621 P622 P623 M627 C628 Y690 Q691 Y692	C596-I625 HydrophobicContact CB-CD1 4.01Å; V598-I625 HydrophobicContact CG2-CD1 3.57Å; K621-I625 HydrophobicContact CD-CG2 4.2Å; K621-I625 HydrophobicContact CG-CB 4.24Å; K621-I625 HydrophobicContact CG-CG2 4.09Å; K621-I625 PolarHBondContact NZ-O 2.62Å; P622-I625 HydrophobicContact CG-CD1 4.33Å; P622-I625 PolarHBondContact O-N 3.18Å; P623-I625 VanDerWaalsContact C-N 3.28Å; P623-I625 PolarHBondContact O-N 3.48Å; I625-M627 VanDerWaalsContact CG2-O 3.31Å; I625-M627 WeakPolarHBondContact CG2-O 3.27Å; I625-C628 HydrophobicContact CG2-CB 3.97Å; I625-Y690 HydrophobicContact CD1-CD2 3.8Å; I625-Y690 HydrophobicContact CD1-CE2 4.32Å; I625-Y690 HydrophobicContact CD1-CG 4.47Å; I625-Y690 HydrophobicContact CG1-CD2 4.15Å; I625-Q691 CarbonylContact C-O 3.56Å; I625-Q691 WeakPolarHBondContact CA-O 3.34Å; I625-Y692 HydrophobicContact CD1-CE1 4.27Å; I625-Y692 HydrophobicContact CG1-CD1 3.86Å; I625-Y692 HydrophobicContact CG1-CE1 3.79Å
626	I	93.6	Very high	96	Very high	94 Å²	94	56.9 Å²	56.9	48%	0.482	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-32.9	-176.7	56.4	168.7	0	0	0	112.8	Q691	I626-Q691 HydrophobicContact CD1-CG 4.11Å; I626-Q691 HydrophobicContact CG1-CB 4.11Å; I626-Q691 HydrophobicContact CG1-CG 4.14Å; I626-Q691 WeakPolarHBondContact CG1-O 3.3Å; I626-Q691 PolarHBondContact N-O 2.91Å
627	M	92.4	Very high	95.8	Very high	101 Å²	101	64.7 Å²	64.7	50%	0.498	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	139.7	-175.4	179.7	166.9	58.6	0	0	108.3	I625 Y690 Q691	I625-M627 VanDerWaalsContact CG2-O 3.31Å; I625-M627 WeakPolarHBondContact CG2-O 3.27Å; M627-Y690 CarbonylContact O-C 3.58Å; M627-Y690 VanDerWaalsContact O-CA 3.32Å; M627-Y690 WeakPolarHBondContact O-CA 3.44Å; M627-Q691 VanDerWaalsContact CE-OE1 3.32Å; M627-Q691 PolarHBondContact O-N 3.28Å
628	C	94.9	Very high	95.5	Very high	15 Å²	15	65.9 Å²	65.9	10%	0.101	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	139	172.8	57.8	0	0	0	0	111.3	I618 K621 I625 L688 S689	I618-C628 HydrophobicContact CD1-CB 4.38Å; I618-C628 VanDerWaalsContact CD1-O 3.25Å; I618-C628 WeakPolarHBondContact CD1-O 3.26Å; I618-C628 VanDerWaalsContact CD1-SG 3.56Å; K621-C628 WeakPolarHBondContact CD-SG 3.49Å; K621-C628 VanDerWaalsContact CG-SG 3.57Å; I625-C628 HydrophobicContact CG2-CB 3.97Å; C628-L688 HydrophobicContact CB-CD1 4.08Å; C628-S689 CarbonylContact C-O 3.55Å; C628-S689 WeakPolarHBondContact CA-O 3.45Å
629	D	95.4	Very high	95.2	Very high	103 Å²	103	63 Å²	63	55%	0.551	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.9	140.3	179.1	-67.8	-63.7	0	0	0	109.7	L688 S689	D629-L688 WeakPolarHBondContact O-CA 3.34Å; D629-S689 PolarHBondContact N-O 3.25Å; D629-S689 PolarHBondContact O-N 3.46Å
630	A	96	Very high	95	Very high	8 Å²	8	66.3 Å²	66.3	7%	0.066	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	126.8	-175.4	0	0	0	0	0	110.7	I600 I618 L668 C687 L688	I600-A630 HydrophobicContact CD1-CB 3.49Å; I600-A630 VanDerWaalsContact CD1-CB 3.49Å; I600-A630 HydrophobicContact CG1-CB 3.82Å; I618-A630 HydrophobicContact CD1-CB 4.23Å; I618-A630 HydrophobicContact CG1-CB 4.08Å; A630-L668 WeakPolarHBondContact O-CD1 3.49Å; A630-C687 WeakPolarHBondContact CA-O 3.46Å; A630-L688 HydrophobicContact CB-CD1 4.43Å
631	Y	96.9	Very high	94.8	Very high	75 Å²	75	62.5 Å²	62.5	29%	0.294	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	155.2	-175.7	62.4	-87.5	0	0	0	112.4	T633 N647 C687	Y631-T633 HydrophobicContact CE2-CG2 4.28Å; Y631-N647 WeakPolarHBondContact CA-OD1 3.43Å; Y631-C687 HydrophobicContact CD1-CB 4.16Å; Y631-C687 HydrophobicContact CD2-CB 4.01Å; Y631-C687 HydrophobicContact CE1-CB 3.7Å; Y631-C687 HydrophobicContact CE2-CB 3.55Å; Y631-C687 HydrophobicContact CG-CB 4.3Å; Y631-C687 PolarHBondContact N-O 2.88Å; Y631-C687 PolarHBondContact O-N 3.25Å
632	V	97.8	Very high	94.5	Very high	4 Å²	4	62 Å²	62	2%	0.024	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	139.3	176.8	-72.6	0	0	0	0	111.9	I614 T616 F635 N647 T670 F684 T685 V686	I614-V632 HydrophobicContact CG2-CG1 4.38Å; T616-V632 HydrophobicContact CG2-CG1 4.13Å; V632-F635 HydrophobicContact CB-CE2 3.99Å; V632-F635 HydrophobicContact CB-CZ 3.72Å; V632-F635 HydrophobicContact CG2-CE2 3.85Å; V632-F635 HydrophobicContact CG2-CZ 3.67Å; V632-N647 WeakPolarHBondContact CG2-OD1 3.47Å; V632-N647 PolarHBondContact N-OD1 2.9Å; V632-N647 PolarHBondContact O-ND2 3.31Å; V632-T670 HydrophobicContact CG2-CG2 4.29Å; V632-T670 VanDerWaalsContact CG2-OG1 3.23Å; V632-T670 WeakPolarHBondContact CG2-OG1 3.38Å; V632-F684 HydrophobicContact CB-CD2 4.25Å; V632-F684 HydrophobicContact CG1-CD2 3.91Å; V632-F684 HydrophobicContact CG1-CE2 3.74Å; V632-T685 CarbonylContact C-O 3.58Å; V632-T685 VanDerWaalsContact CA-O 3.31Å; V632-T685 WeakPolarHBondContact CA-O 3.48Å; V632-V686 HydrophobicContact CG1-CG2 3.98Å
633	T	97.7	Very high	94.3	Very high	45 Å²	45	67 Å²	67	28%	0.276	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	-179.9	-179.9	-175.8	0	0	0	0	110.7	Y631 F635 T685 C687	Y631-T633 HydrophobicContact CE2-CG2 4.28Å; T633-F635 VanDerWaalsContact C-N 3.32Å; T633-F635 PolarHBondContact O-N 3.43Å; T633-T685 HydrophobicContact CG2-CG2 4.31Å; T633-T685 PolarHBondContact N-O 3.34Å; T633-T685 PolarHBondContact O-N 3.13Å; T633-C687 VanDerWaalsContact CG2-SG 3.54Å
634	D	96.1	Very high	94.2	Very high	94 Å²	94	69 Å²	69	50%	0.503	36%	0.359	S	S	.	.			trans	62.3	34.3	171.8	-47.4	-21.1	0	0	0	113.8	T685	D634-T685 WeakPolarHBondContact CB-OG1 3.3Å; D634-T685 WeakPolarHBondContact OD2-CB 2.94Å; D634-T685 PolarHBondContact OD2-OG1 3.35Å
635	F	97.1	Very high	94.1	Very high	29 Å²	29	68.4 Å²	68.4	13%	0.127	36%	0.359	C	S	.	.			trans	-62.6	152.8	173.9	-69.6	-72.9	0	0	0	112.4	I614 V632 T633 L637 I641 T670 L672 L682 F684	I614-F635 HydrophobicContact CD1-CE1 3.72Å; I614-F635 HydrophobicContact CD1-CZ 4.08Å; V632-F635 HydrophobicContact CB-CE2 3.99Å; V632-F635 HydrophobicContact CB-CZ 3.72Å; V632-F635 HydrophobicContact CG2-CE2 3.85Å; V632-F635 HydrophobicContact CG2-CZ 3.67Å; T633-F635 VanDerWaalsContact C-N 3.32Å; T633-F635 PolarHBondContact O-N 3.43Å; F635-L637 PolarHBondContact O-N 3.44Å; F635-I641 HydrophobicContact CB-CG1 4.31Å; F635-I641 HydrophobicContact CD2-CG2 4.46Å; F635-T670 HydrophobicContact CE2-CG2 3.85Å; F635-T670 HydrophobicContact CZ-CG2 3.96Å; F635-L672 HydrophobicContact CD1-CD1 4.42Å; F635-L672 HydrophobicContact CD1-CD2 4.06Å; F635-L672 HydrophobicContact CE1-CD1 4.18Å; F635-L672 HydrophobicContact CE1-CD2 4.03Å; F635-L672 HydrophobicContact CG-CD2 4.42Å; F635-L672 HydrophobicContact CZ-CD2 4.35Å; F635-L682 HydrophobicContact CD1-CD1 4.16Å; F635-F684 HydrophobicContact CD1-CB 3.54Å; F635-F684 HydrophobicContact CD1-CD1 4.31Å; F635-F684 AromaticContact CD1-CG 3.97Å; F635-F684 HydrophobicContact CD1-CG 3.97Å; F635-F684 HydrophobicContact CE1-CB 3.57Å; F635-F684 AromaticContact CE1-CD1 3.9Å; F635-F684 HydrophobicContact CE1-CD1 3.9Å; F635-F684 AromaticContact CE1-CD2 3.87Å; F635-F684 HydrophobicContact CE1-CD2 3.87Å; F635-F684 AromaticContact CE1-CG 3.51Å; F635-F684 HydrophobicContact CE1-CG 3.51Å; F635-F684 HydrophobicContact CG-CB 4.23Å; F635-F684 HydrophobicContact CZ-CB 4.3Å; F635-F684 HydrophobicContact CZ-CD2 4.16Å; F635-F684 HydrophobicContact CZ-CG 4.23Å
636	P	95.9	Very high	94.1	Very high	31 Å²	31	68.9 Å²	68.9	20%	0.201	36%	0.363	C	S	.	.			trans	-60.5	132.2	178	-23.4	35.7	0	0	0	111.9	D638 L639 L678 L682 V683	P636-D638 PolarHBondContact O-N 2.86Å; P636-L639 WeakPolarHBondContact O-CB 3.49Å; P636-L639 PolarHBondContact O-N 3.48Å; P636-L678 HydrophobicContact CB-CD1 3.91Å; P636-L678 HydrophobicContact CG-CD1 3.87Å; P636-L682 HydrophobicContact CG-CD1 4.11Å; P636-V683 WeakPolarHBondContact CD-O 3.31Å
637	L	93	Very high	94.3	Very high	170 Å²	170	66.3 Å²	66.3	89%	0.89	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-56.5	-26.1	-177.4	-66.2	173.7	0	0	0	113.9	F635 L639 D640	F635-L637 PolarHBondContact O-N 3.44Å; L637-L639 PolarHBondContact O-N 2.89Å; L637-D640 PolarHBondContact O-N 2.97Å
638	D	90.3	Very high	94.5	Very high	54 Å²	54	64 Å²	64	29%	0.289	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-58.9	-22.9	174.6	-79.7	-33.5	0	0	0	113.7	P636 K677 K679	P636-D638 PolarHBondContact O-N 2.86Å; D638-K677 WeakPolarHBondContact CB-O 3.37Å; D638-K677 VanDerWaalsContact O-CB 3.29Å; D638-K677 WeakPolarHBondContact O-CB 3.41Å; D638-K679 IonicContact OD1-NZ 2.68Å; D638-K679 PolarHBondContact OD1-NZ 3.36Å; D638-K679 IonicContact OD2-NZ 2.72Å
639	L	91.6	Very high	94.4	Very high	2 Å²	2	65.4 Å²	65.4	1%	0.01	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-87.1	-12.4	-178.5	-66.2	-176.6	0	0	0	114.5	P636 L637 I641 L672 S674 L675 L678 L682	P636-L639 WeakPolarHBondContact O-CB 3.49Å; P636-L639 PolarHBondContact O-N 3.48Å; L637-L639 PolarHBondContact O-N 2.89Å; L639-I641 VanDerWaalsContact C-N 3.32Å; L639-I641 HydrophobicContact CB-CD1 4.02Å; L639-I641 HydrophobicContact CB-CG1 3.85Å; L639-I641 PolarHBondContact O-N 3.19Å; L639-L672 HydrophobicContact CD1-CD1 4.24Å; L639-L672 HydrophobicContact CD1-CD2 4.35Å; L639-S674 VanDerWaalsContact CD2-O 3.3Å; L639-S674 WeakPolarHBondContact CD2-O 3.48Å; L639-L675 HydrophobicContact CD2-CD2 4.29Å; L639-L678 HydrophobicContact CD1-CD1 4.42Å; L639-L678 HydrophobicContact CD2-CB 4.1Å; L639-L678 HydrophobicContact CD2-CD1 4.39Å; L639-L678 HydrophobicContact CG-CD1 4.24Å; L639-L682 HydrophobicContact CD1-CD1 3.89Å
640	D	91.3	Very high	94.4	Very high	149 Å²	149	63 Å²	63	80%	0.797	34%	0.344	S	S	*	.			trans	49.4	44.9	177.7	-157.5	28	0	0	0	114.4	L637 D642	L637-D640 PolarHBondContact O-N 2.97Å; D640-D642 PolarHBondContact O-N 2.91Å
641	I	93.1	Very high	94.2	Very high	37 Å²	37	62.9 Å²	62.9	19%	0.19	34%	0.343	C	S	.	.			trans	-78.5	117.8	-179.5	-53.2	-57.2	0	0	0	110	F635 L639 P643 L672	F635-I641 HydrophobicContact CB-CG1 4.31Å; F635-I641 HydrophobicContact CD2-CG2 4.46Å; L639-I641 VanDerWaalsContact C-N 3.32Å; L639-I641 HydrophobicContact CB-CD1 4.02Å; L639-I641 HydrophobicContact CB-CG1 3.85Å; L639-I641 PolarHBondContact O-N 3.19Å; I641-P643 VanDerWaalsContact O-CD 3.29Å; I641-P643 WeakPolarHBondContact O-CD 3.38Å; I641-L672 HydrophobicContact CD1-CD2 3.53Å; I641-L672 HydrophobicContact CG1-CD2 3.76Å
642	D	91.1	Very high	94	Very high	72 Å²	72	63.2 Å²	63.2	39%	0.385	35%	0.347	S	S	.	.			trans	-69	119.4	167.6	-169.7	-25.3	0	0	0	109	D640 K644 D645	D640-D642 PolarHBondContact O-N 2.91Å; D642-K644 PolarHBondContact O-N 3.11Å; D642-K644 VanDerWaalsContact OD1-CB 3.25Å; D642-K644 WeakPolarHBondContact OD1-CB 3.33Å; D642-K644 WeakPolarHBondContact OD1-CG 3.22Å; D642-K644 PolarHBondContact OD1-N 3.37Å; D642-D645 PolarHBondContact O-N 3.04Å
643	P	91.4	Very high	93.7	Very high	108 Å²	108	67.8 Å²	67.8	70%	0.701	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-20.2	176.6	-24.6	35.6	0	0	0	113.7	I641 D645	I641-P643 VanDerWaalsContact O-CD 3.29Å; I641-P643 WeakPolarHBondContact O-CD 3.38Å; P643-D645 VanDerWaalsContact C-N 3.3Å
644	K	92.9	Very high	93.4	Very high	154 Å²	154	66.3 Å²	66.3	67%	0.67	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-21.5	174.3	-65.3	173.3	-174.7	161.4	0	113.7	D642 K648	D642-K644 PolarHBondContact O-N 3.11Å; D642-K644 VanDerWaalsContact OD1-CB 3.25Å; D642-K644 WeakPolarHBondContact OD1-CB 3.33Å; D642-K644 WeakPolarHBondContact OD1-CG 3.22Å; D642-K644 PolarHBondContact OD1-N 3.37Å; K644-K648 WeakPolarHBondContact O-CE 3.27Å; K644-K648 PolarHBondContact O-NZ 3.42Å
645	D	92.4	Very high	93	Very high	92 Å²	92	62.5 Å²	62.5	49%	0.492	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-6	-178.1	-67.3	-18.2	0	0	0	112.4	D642 P643 K648	D642-D645 PolarHBondContact O-N 3.04Å; P643-D645 VanDerWaalsContact C-N 3.3Å; D645-K648 WeakPolarHBondContact O-CG 3.43Å
646	A	95.4	Very high	92.6	Very high	10 Å²	10	61.1 Å²	61.1	8%	0.083	34%	0.336	C	S	.	.	S	Bend	trans	-82.7	166.3	170.5	0	0	0	0	0	112.8	K648 T670	A646-K648 PolarHBondContact O-N 3.48Å; A646-T670 HydrophobicContact CB-CG2 3.74Å
647	N	96.9	Very high	92.2	Very high	40 Å²	40	65 Å²	65	21%	0.214	35%	0.347	C	S	.	.	S	Bend	trans	55.4	42.9	170.8	-56.9	-65.3	0	0	0	114.8	Y631 V632 L668 Y669 T670	Y631-N647 WeakPolarHBondContact CA-OD1 3.43Å; V632-N647 WeakPolarHBondContact CG2-OD1 3.47Å; V632-N647 PolarHBondContact N-OD1 2.9Å; V632-N647 PolarHBondContact O-ND2 3.31Å; N647-L668 HydrophobicContact CB-CD1 4.21Å; N647-Y669 WeakPolarHBondContact CA-O 3.29Å; N647-Y669 PolarHBondContact N-O 2.85Å; N647-T670 PolarHBondContact N-OG1 3.18Å
648	K	97.2	Very high	91.8	Very high	51 Å²	51	58.2 Å²	58.2	22%	0.222	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-84.8	152.5	-175.6	-63.1	-56.5	-170.2	176.4	0	113.8	K644 D645 A646 T650 E653 T654 L668 Y669	K644-K648 WeakPolarHBondContact O-CE 3.27Å; K644-K648 PolarHBondContact O-NZ 3.42Å; D645-K648 WeakPolarHBondContact O-CG 3.43Å; A646-K648 PolarHBondContact O-N 3.48Å; K648-T650 VanDerWaalsContact C-N 3.27Å; K648-T650 WeakPolarHBondContact CB-O 2.95Å; K648-T650 PolarHBondContact O-N 3.32Å; K648-E653 HydrophobicContact CB-CB 3.62Å; K648-E653 HydrophobicContact CD-CB 3.87Å; K648-E653 HydrophobicContact CG-CB 3.65Å; K648-T654 HydrophobicContact CB-CG2 3.71Å; K648-T654 HydrophobicContact CG-CG2 3.61Å; K648-L668 CarbonylContact O-C 3.58Å; K648-L668 VanDerWaalsContact O-CA 3.23Å; K648-L668 WeakPolarHBondContact O-CA 3.44Å; K648-Y669 PolarHBondContact N-O 2.5Å; K648-Y669 VanDerWaalsContact O-CD2 3.31Å; K648-Y669 WeakPolarHBondContact O-CD2 3.2Å; K648-Y669 PolarHBondContact O-N 2.92Å
649	G	93.4	Very high	91.5	Very high	45 Å²	45	56 Å²	56	46%	0.464	30%	0.3	S	S	.	.	S	Bend	trans	-75.4	-16.3	178.4	0	0	0	0	0	113.9	E653	G649-E653 PolarHBondContact N-OE2 2.97Å
650	T	93.9	Very high	90.9	Very high	52 Å²	52	57 Å²	57	32%	0.319	31%	0.307	S	S	.	.	S	Bend	trans	-137.2	151.5	176.1	62.7	0	0	0	0	111	K648 E652 E653	K648-T650 VanDerWaalsContact C-N 3.27Å; K648-T650 WeakPolarHBondContact CB-O 2.95Å; K648-T650 PolarHBondContact O-N 3.32Å; T650-E652 VanDerWaalsContact C-N 3.25Å; T650-E652 PolarHBondContact O-N 3.1Å; T650-E653 PolarHBondContact N-OE1 3.4Å; T650-E653 PolarHBondContact O-N 2.93Å; T650-E653 VanDerWaalsContact OG1-CG 3.27Å; T650-E653 WeakPolarHBondContact OG1-CG 3.4Å; T650-E653 PolarHBondContact OG1-OE1 3.26Å
651	P	92.9	Very high	90.3	Very high	7 Å²	7	59.3 Å²	59.3	5%	0.045	31%	0.31	C	S	.	.	S	Bend	trans	-61.4	-34.6	174.5	-23.3	35	0	0	0	112.6	E653 T654 S656 L663 Y669	P651-E653 VanDerWaalsContact C-N 3.29Å; P651-E653 PolarHBondContact O-N 3.13Å; P651-T654 WeakPolarHBondContact O-CB 3.37Å; P651-T654 PolarHBondContact O-N 3.28Å; P651-T654 PolarHBondContact O-OG1 3.14Å; P651-S656 CarbonylContact C-O 3.53Å; P651-S656 VanDerWaalsContact C-O 3.23Å; P651-S656 PolarHBondContact O-N 3.48Å; P651-L663 HydrophobicContact CB-CD1 3.94Å; P651-L663 HydrophobicContact CG-CD1 3.66Å; P651-Y669 HydrophobicContact CG-CD1 3.99Å; P651-Y669 HydrophobicContact CG-CD2 4.05Å; P651-Y669 HydrophobicContact CG-CE1 3.92Å; P651-Y669 HydrophobicContact CG-CE2 3.99Å; P651-Y669 HydrophobicContact CG-CG 4.06Å
652	E	92.3	Very high	89.8	Confident	82 Å²	82	63.4 Å²	63.4	38%	0.383	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-61.5	-34.6	-178.1	-69	70.7	-156.9	0	0	113	T650 T654 G655 S656 Y657 S660	T650-E652 VanDerWaalsContact C-N 3.25Å; T650-E652 PolarHBondContact O-N 3.1Å; E652-T654 PolarHBondContact O-N 3.38Å; E652-G655 PolarHBondContact O-N 3.16Å; E652-S656 VanDerWaalsContact CA-O 3.31Å; E652-S656 WeakPolarHBondContact CA-O 3.23Å; E652-S656 PolarHBondContact N-O 3.46Å; E652-Y657 HydrophobicContact CB-CD1 4.16Å; E652-Y657 HydrophobicContact CB-CE1 4.03Å; E652-Y657 HydrophobicContact CG-CD1 3.99Å; E652-Y657 HydrophobicContact CG-CE1 4.35Å; E652-Y657 WeakPolarHBondContact O-CE1 3.29Å; E652-S660 WeakPolarHBondContact OE1-CB 3.46Å; E652-S660 PolarHBondContact OE1-OG 3.07Å
653	E	92.3	Very high	89.8	Confident	99 Å²	99	60.6 Å²	60.6	46%	0.463	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-65.2	-22.6	174.4	-78.3	161.3	-125.8	0	0	112.9	K648 G649 T650 P651 G655	K648-E653 HydrophobicContact CB-CB 3.62Å; K648-E653 HydrophobicContact CD-CB 3.87Å; K648-E653 HydrophobicContact CG-CB 3.65Å; G649-E653 PolarHBondContact N-OE2 2.97Å; T650-E653 PolarHBondContact N-OE1 3.4Å; T650-E653 PolarHBondContact O-N 2.93Å; T650-E653 VanDerWaalsContact OG1-CG 3.27Å; T650-E653 WeakPolarHBondContact OG1-CG 3.4Å; T650-E653 PolarHBondContact OG1-OE1 3.26Å; P651-E653 VanDerWaalsContact C-N 3.29Å; P651-E653 PolarHBondContact O-N 3.13Å; E653-G655 VanDerWaalsContact C-N 3.31Å
654	T	90.4	Very high	89.7	Confident	14 Å²	14	58.2 Å²	58.2	9%	0.086	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-87.2	-1.2	173	74.7	0	0	0	0	112.9	K648 P651 E652 S656 Y669 R671	K648-T654 HydrophobicContact CB-CG2 3.71Å; K648-T654 HydrophobicContact CG-CG2 3.61Å; P651-T654 WeakPolarHBondContact O-CB 3.37Å; P651-T654 PolarHBondContact O-N 3.28Å; P651-T654 PolarHBondContact O-OG1 3.14Å; E652-T654 PolarHBondContact O-N 3.38Å; T654-S656 VanDerWaalsContact C-N 3.3Å; T654-S656 PolarHBondContact OG1-N 2.57Å; T654-Y669 WeakPolarHBondContact CG2-O 3.32Å; T654-R671 VanDerWaalsContact O-CD 3.25Å; T654-R671 WeakPolarHBondContact O-CD 3.23Å
655	G	87.6	Confident	89.6	Confident	14 Å²	14	59.2 Å²	59.2	14%	0.144	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	11.7	-170.4	0	0	0	0	0	114.7	E652 E653 Y657 R671	E652-G655 PolarHBondContact O-N 3.16Å; E653-G655 VanDerWaalsContact C-N 3.31Å; G655-Y657 WeakPolarHBondContact O-CD2 3.27Å; G655-Y657 WeakPolarHBondContact O-CE2 3.27Å; G655-R671 VanDerWaalsContact O-CZ 3.23Å; G655-R671 PolarHBondContact O-NH1 3.5Å
656	S	89.5	Confident	89.5	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.323	C	S	.	.			trans	-85.5	118.1	167.2	158	0	0	0	0	109.2	I613 P651 E652 T654 S660	I613-S656 VanDerWaalsContact CD1-CB 3.48Å; I613-S656 WeakPolarHBondContact CD1-OG 3.29Å; P651-S656 CarbonylContact C-O 3.53Å; P651-S656 VanDerWaalsContact C-O 3.23Å; P651-S656 PolarHBondContact O-N 3.48Å; E652-S656 VanDerWaalsContact CA-O 3.31Å; E652-S656 WeakPolarHBondContact CA-O 3.23Å; E652-S656 PolarHBondContact N-O 3.46Å; T654-S656 VanDerWaalsContact C-N 3.3Å; T654-S656 PolarHBondContact OG1-N 2.57Å; S656-S660 PolarHBondContact O-OG 3.39Å
657	Y	87.3	Confident	89.5	Confident	113 Å²	113	63.2 Å²	63.2	44%	0.443	32%	0.32	S	S	.	.			trans	-120.3	-12.4	-178.4	-54.7	-66.5	0	0	0	113.7	L506 E652 G655	L506-Y657 HydrophobicContact CD2-CD2 4.18Å; L506-Y657 HydrophobicContact CD2-CG 3.97Å; E652-Y657 HydrophobicContact CB-CD1 4.16Å; E652-Y657 HydrophobicContact CB-CE1 4.03Å; E652-Y657 HydrophobicContact CG-CD1 3.99Å; E652-Y657 HydrophobicContact CG-CE1 4.35Å; E652-Y657 WeakPolarHBondContact O-CE1 3.29Å; G655-Y657 WeakPolarHBondContact O-CD2 3.27Å; G655-Y657 WeakPolarHBondContact O-CE2 3.27Å
658	L	85.4	Confident	89.5	Confident	27 Å²	27	64.2 Å²	64.2	14%	0.141	33%	0.325	C	S	.	.	S	Bend	trans	-98.1	-38.6	-165.3	-63	167.7	0	0	0	112.7	L363 Y367 E607 F608	L363-L658 HydrophobicContact CD1-CD1 4.48Å; L363-L658 HydrophobicContact CD2-CD1 3.48Å; L363-L658 VanDerWaalsContact CD2-CD1 3.48Å; L363-L658 HydrophobicContact CD2-CD2 4.09Å; L363-L658 HydrophobicContact CD2-CG 3.82Å; L363-L658 HydrophobicContact CG-CD1 3.72Å; Y367-L658 HydrophobicContact CD1-CB 4.04Å; Y367-L658 HydrophobicContact CD1-CD1 4.19Å; Y367-L658 HydrophobicContact CD1-CD2 3.8Å; Y367-L658 HydrophobicContact CD1-CG 4.22Å; Y367-L658 HydrophobicContact CD2-CB 4.08Å; Y367-L658 HydrophobicContact CD2-CD1 3.84Å; Y367-L658 HydrophobicContact CD2-CG 4.47Å; Y367-L658 HydrophobicContact CE1-CB 3.92Å; Y367-L658 HydrophobicContact CE1-CD2 4.32Å; Y367-L658 HydrophobicContact CE2-CB 3.98Å; Y367-L658 HydrophobicContact CG-CB 4.1Å; Y367-L658 HydrophobicContact CG-CD1 3.62Å; Y367-L658 HydrophobicContact CG-CD2 4.09Å; Y367-L658 HydrophobicContact CG-CG 4.15Å; E607-L658 HydrophobicContact CG-CB 4.17Å; E607-L658 HydrophobicContact CG-CD1 4.18Å; F608-L658 HydrophobicContact CE2-CD1 3.81Å; F608-L658 HydrophobicContact CZ-CD1 3.55Å
659	V	83.3	Confident	89.5	Confident	9 Å²	9	62.3 Å²	62.3	6%	0.055	32%	0.317	C	S	.	.	S	Bend	trans	-103.7	5.7	-177.4	-65	0	0	0	0	113.5	Y367 E607 I613 K661 D662 L663	Y367-V659 HydrophobicContact CE2-CG1 4.1Å; E607-V659 HydrophobicContact CB-CG1 4.46Å; E607-V659 HydrophobicContact CB-CG2 4.28Å; E607-V659 HydrophobicContact CG-CG1 4.21Å; E607-V659 HydrophobicContact CG-CG2 4.11Å; I613-V659 HydrophobicContact CD1-CG2 3.33Å; V659-K661 PolarHBondContact O-N 3.46Å; V659-D662 PolarHBondContact O-N 2.94Å; V659-L663 HydrophobicContact CG2-CD1 4.33Å; V659-L663 PolarHBondContact O-N 3.13Å
660	S	79.4	Confident	89.7	Confident	23 Å²	23	60.2 Å²	60.2	16%	0.161	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.6	-177.8	-44.4	0	0	0	0	114.8	E652 S656	E652-S660 WeakPolarHBondContact OE1-CB 3.46Å; E652-S660 PolarHBondContact OE1-OG 3.07Å; S656-S660 PolarHBondContact O-OG 3.39Å
661	K	78.9	Confident	89.8	Confident	196 Å²	196	60 Å²	60	85%	0.852	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-27.3	179.5	-65.8	177.8	-177.3	170	0	112.8	V659	V659-K661 PolarHBondContact O-N 3.46Å
662	D	81.6	Confident	90	Very high	124 Å²	124	59.7 Å²	59.7	66%	0.663	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-12	-172.3	-47.2	-48.2	0	0	0	111.5	V659	V659-D662 PolarHBondContact O-N 2.94Å
663	L	90.6	Very high	90.1	Very high	12 Å²	12	58.1 Å²	58.1	6%	0.063	29%	0.285	C	S	.	.	S	Bend	trans	-80.4	140.5	178.9	-76	170.5	0	0	0	112.9	A605 I613 Y615 P651 V659 K665 Y669	A605-L663 HydrophobicContact CB-CD2 3.66Å; I613-L663 HydrophobicContact CD1-CD1 3.97Å; I613-L663 HydrophobicContact CG2-CD1 4.16Å; Y615-L663 HydrophobicContact CD1-CD2 3.51Å; Y615-L663 HydrophobicContact CE1-CD2 3.72Å; Y615-L663 HydrophobicContact CG-CD2 4.37Å; P651-L663 HydrophobicContact CB-CD1 3.94Å; P651-L663 HydrophobicContact CG-CD1 3.66Å; V659-L663 HydrophobicContact CG2-CD1 4.33Å; V659-L663 PolarHBondContact O-N 3.13Å; L663-K665 PolarHBondContact O-N 2.84Å; L663-Y669 HydrophobicContact CB-CE1 4.07Å; L663-Y669 HydrophobicContact CD1-CD1 4.07Å; L663-Y669 HydrophobicContact CD1-CE1 4.18Å
664	P	90.6	Very high	90.2	Very high	58 Å²	58	54.4 Å²	54.4	38%	0.377	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-63.5	126.5	175.7	-23.7	35.6	0	0	0	112.6	Y615 C667 Y669	Y615-P664 HydrophobicContact CD2-CG 4.35Å; Y615-P664 HydrophobicContact CE2-CB 4.4Å; Y615-P664 HydrophobicContact CE2-CG 3.65Å; P664-C667 PolarHBondContact O-SG 2.83Å; P664-Y669 PolarHBondContact O-OH 2.91Å
665	K	90.1	Very high	90.4	Very high	176 Å²	176	53.7 Å²	53.7	77%	0.765	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	157.1	179.6	-61.6	176.6	-176	173.7	0	112	L663 C667	L663-K665 PolarHBondContact O-N 2.84Å; K665-C667 VanDerWaalsContact C-N 3.33Å
666	H	89.9	Confident	90.7	Very high	182 Å²	182	53.2 Å²	53.2	84%	0.843	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	31.3	-179.9	-48.4	-72.7	0	0	0	114.7
667	C	95.1	Very high	90.9	Very high	4 Å²	4	55.2 Å²	55.2	3%	0.027	27%	0.268	C	S	.	.			trans	-100.6	165.1	165.9	-56.6	0	0	0	0	111.2	Y615 T616 P664 K665 Y669	Y615-C667 HydrophobicContact CD2-CB 4.38Å; T616-C667 CarbonylContact O-C 3.52Å; T616-C667 WeakPolarHBondContact O-CA 3.47Å; T616-C667 VanDerWaalsContact O-CB 3.28Å; T616-C667 WeakPolarHBondContact O-CB 3.28Å; P664-C667 PolarHBondContact O-SG 2.83Å; K665-C667 VanDerWaalsContact C-N 3.33Å; C667-Y669 HydrophobicContact CB-CD1 4.49Å; C667-Y669 HydrophobicContact CB-CE1 3.89Å; C667-Y669 WeakPolarHBondContact O-CE2 3.46Å
668	L	96.9	Very high	91.1	Very high	61 Å²	61	50 Å²	50	32%	0.319	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	142.7	155.2	-61.2	-172.7	0	0	0	109.7	Y615 T616 A630 N647 K648	Y615-L668 CarbonylContact C-O 3.52Å; Y615-L668 WeakPolarHBondContact CA-O 3.25Å; T616-L668 PolarHBondContact N-O 3.25Å; T616-L668 PolarHBondContact O-N 2.76Å; A630-L668 WeakPolarHBondContact O-CD1 3.49Å; N647-L668 HydrophobicContact CB-CD1 4.21Å; K648-L668 CarbonylContact O-C 3.58Å; K648-L668 VanDerWaalsContact O-CA 3.23Å; K648-L668 WeakPolarHBondContact O-CA 3.44Å
669	Y	97.6	Very high	91.3	Very high	10 Å²	10	53.1 Å²	53.1	4%	0.039	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	143.3	-175.6	-47.3	-87.9	0	0	0	112.1	I613 I614 N647 K648 P651 T654 L663 P664 C667	I613-Y669 HydrophobicContact CG2-CD1 4.47Å; I614-Y669 WeakPolarHBondContact O-CA 3.43Å; N647-Y669 WeakPolarHBondContact CA-O 3.29Å; N647-Y669 PolarHBondContact N-O 2.85Å; K648-Y669 PolarHBondContact N-O 2.5Å; K648-Y669 VanDerWaalsContact O-CD2 3.31Å; K648-Y669 WeakPolarHBondContact O-CD2 3.2Å; K648-Y669 PolarHBondContact O-N 2.92Å; P651-Y669 HydrophobicContact CG-CD1 3.99Å; P651-Y669 HydrophobicContact CG-CD2 4.05Å; P651-Y669 HydrophobicContact CG-CE1 3.92Å; P651-Y669 HydrophobicContact CG-CE2 3.99Å; P651-Y669 HydrophobicContact CG-CG 4.06Å; T654-Y669 WeakPolarHBondContact CG2-O 3.32Å; L663-Y669 HydrophobicContact CB-CE1 4.07Å; L663-Y669 HydrophobicContact CD1-CD1 4.07Å; L663-Y669 HydrophobicContact CD1-CE1 4.18Å; P664-Y669 PolarHBondContact O-OH 2.91Å; C667-Y669 HydrophobicContact CB-CD1 4.49Å; C667-Y669 HydrophobicContact CB-CE1 3.89Å; C667-Y669 WeakPolarHBondContact O-CE2 3.46Å
670	T	97.6	Very high	91.6	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.012	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	125.2	173.5	-63.4	0	0	0	0	109.5	I613 I614 V632 F635 A646 N647 L672	I613-T670 WeakPolarHBondContact CA-O 3.2Å; I614-T670 PolarHBondContact N-O 2.87Å; I614-T670 PolarHBondContact O-N 2.78Å; V632-T670 HydrophobicContact CG2-CG2 4.29Å; V632-T670 VanDerWaalsContact CG2-OG1 3.23Å; V632-T670 WeakPolarHBondContact CG2-OG1 3.38Å; F635-T670 HydrophobicContact CE2-CG2 3.85Å; F635-T670 HydrophobicContact CZ-CG2 3.96Å; A646-T670 HydrophobicContact CB-CG2 3.74Å; N647-T670 PolarHBondContact N-OG1 3.18Å; T670-L672 HydrophobicContact CG2-CD2 4.18Å
671	R	96.9	Very high	92.4	Very high	48 Å²	48	62.8 Å²	62.8	18%	0.181	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	124	-177.9	-172.3	-180	-172.9	-140	7.1	111	E607 V611 I613 T654 G655	E607-R671 IonicContact OE1-NH2 3.79Å; E607-R671 IonicContact OE2-CZ 3.73Å; E607-R671 IonicContact OE2-NE 2.81Å; E607-R671 PolarHBondContact OE2-NE 2.63Å; E607-R671 IonicContact OE2-NH2 2.67Å; E607-R671 PolarHBondContact OE2-NH2 3.08Å; V611-R671 HydrophobicContact CG1-CG 4.1Å; I613-R671 HydrophobicContact CG1-CG 4.32Å; T654-R671 VanDerWaalsContact O-CD 3.25Å; T654-R671 WeakPolarHBondContact O-CD 3.23Å; G655-R671 VanDerWaalsContact O-CZ 3.23Å; G655-R671 PolarHBondContact O-NH1 3.5Å
672	L	96.8	Very high	93.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	96	176.2	-54.4	-175.2	0	0	0	108.6	V611 M612 I614 F635 L639 I641 T670 L675 L682	V611-L672 WeakPolarHBondContact CA-O 3.35Å; M612-L672 HydrophobicContact CE-CD1 4.07Å; M612-L672 PolarHBondContact N-O 3.44Å; M612-L672 PolarHBondContact O-N 2.79Å; I614-L672 HydrophobicContact CD1-CD1 3.62Å; I614-L672 HydrophobicContact CD1-CG 4.31Å; I614-L672 HydrophobicContact CG1-CD1 4.26Å; F635-L672 HydrophobicContact CD1-CD1 4.42Å; F635-L672 HydrophobicContact CD1-CD2 4.06Å; F635-L672 HydrophobicContact CE1-CD1 4.18Å; F635-L672 HydrophobicContact CE1-CD2 4.03Å; F635-L672 HydrophobicContact CG-CD2 4.42Å; F635-L672 HydrophobicContact CZ-CD2 4.35Å; L639-L672 HydrophobicContact CD1-CD1 4.24Å; L639-L672 HydrophobicContact CD1-CD2 4.35Å; I641-L672 HydrophobicContact CD1-CD2 3.53Å; I641-L672 HydrophobicContact CG1-CD2 3.76Å; T670-L672 HydrophobicContact CG2-CD2 4.18Å; L672-L675 HydrophobicContact CB-CD2 4.12Å; L672-L675 HydrophobicContact CD1-CD2 4.44Å; L672-L682 HydrophobicContact CD1-CD1 4.22Å; L672-L682 HydrophobicContact CD1-CD2 3.68Å
673	S	93.5	Very high	94	Very high	49 Å²	49	49.1 Å²	49.1	34%	0.343	24%	0.239	S	C	.	.			trans	-92	-7.4	-169.1	58.6	0	0	0	0	115.9	N610	N610-S673 CarbonylContact O-C 3.03Å
674	S	94.9	Very high	94.3	Very high	20 Å²	20	48.7 Å²	48.7	14%	0.14	24%	0.237	C	C	.	.			trans	-124.4	40.5	-171.8	-74.1	0	0	0	0	112.9	L639 Q676 K677	L639-S674 VanDerWaalsContact CD2-O 3.3Å; L639-S674 WeakPolarHBondContact CD2-O 3.48Å; S674-Q676 VanDerWaalsContact CA-OE1 3.3Å; S674-Q676 PolarHBondContact O-N 3.12Å; S674-Q676 VanDerWaalsContact O-N 3.1Å; S674-K677 WeakPolarHBondContact O-CB 3.22Å; S674-K677 PolarHBondContact O-N 3.16Å; S674-K677 WeakPolarHBondContact OG-CE 3.45Å
675	L	95.3	Very high	94.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-59.4	-24.9	-177.7	-65.9	-179.1	0	0	0	113.5	N610 M612 L639 L672 K677 L678 P710 L711 I712	N610-L675 WeakPolarHBondContact O-CB 3.2Å; N610-L675 WeakPolarHBondContact O-CG 3.49Å; N610-L675 PolarHBondContact O-N 2.87Å; M612-L675 HydrophobicContact CB-CD1 3.71Å; L639-L675 HydrophobicContact CD2-CD2 4.29Å; L672-L675 HydrophobicContact CB-CD2 4.12Å; L672-L675 HydrophobicContact CD1-CD2 4.44Å; L675-K677 PolarHBondContact O-N 2.98Å; L675-K677 VanDerWaalsContact O-N 3.15Å; L675-L678 WeakPolarHBondContact O-CB 3.4Å; L675-L678 PolarHBondContact O-N 3.44Å; L675-P710 HydrophobicContact CD1-CG 4.17Å; L675-P710 HydrophobicContact CD2-CG 4.13Å; L675-L711 HydrophobicContact CD1-CB 4.2Å; L675-L711 HydrophobicContact CD1-CD1 3.94Å; L675-L711 HydrophobicContact CD1-CG 4.35Å; L675-I712 HydrophobicContact CB-CG2 4.33Å
676	Q	93.4	Very high	95.1	Very high	3 Å²	3	38.1 Å²	38.1	1%	0.014	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-68.3	-4.4	173.3	85.8	-72.7	4.3	0	0	114.1	L386 E390 N610 S674 I712 M717 H718	L386-Q676 HydrophobicContact CD2-CG 3.87Å; E390-Q676 HydrophobicContact CB-CG 4.28Å; E390-Q676 HydrophobicContact CG-CG 3.8Å; E390-Q676 WeakPolarHBondContact OE2-CG 3.38Å; E390-Q676 PolarHBondContact OE2-NE2 2.88Å; N610-Q676 HydrophobicContact CB-CB 4.31Å; N610-Q676 PolarHBondContact ND2-OE1 2.91Å; S674-Q676 VanDerWaalsContact CA-OE1 3.3Å; S674-Q676 PolarHBondContact O-N 3.12Å; S674-Q676 VanDerWaalsContact O-N 3.1Å; Q676-I712 HydrophobicContact CB-CG2 3.92Å; Q676-M717 HydrophobicContact CB-SD 4.21Å; Q676-H718 PolarHBondContact O-NE2 2.98Å
677	K	92.8	Very high	95.5	Very high	43 Å²	43	30.1 Å²	30.1	19%	0.187	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-96	-14.4	174.7	-56.7	-170.6	-162.5	-58.4	0	113.4	E390 D638 S674 L675 K679 H718	E390-K677 VanDerWaalsContact CD-NZ 3.3Å; E390-K677 IonicContact OE1-NZ 3.67Å; E390-K677 PolarHBondContact OE1-NZ 3.33Å; E390-K677 IonicContact OE2-NZ 3.8Å; E390-K677 PolarHBondContact OE2-NZ 3.19Å; E390-K677 VanDerWaalsContact OE2-NZ 3.11Å; D638-K677 WeakPolarHBondContact CB-O 3.37Å; D638-K677 VanDerWaalsContact O-CB 3.29Å; D638-K677 WeakPolarHBondContact O-CB 3.41Å; S674-K677 WeakPolarHBondContact O-CB 3.22Å; S674-K677 PolarHBondContact O-N 3.16Å; S674-K677 WeakPolarHBondContact OG-CE 3.45Å; L675-K677 PolarHBondContact O-N 2.98Å; L675-K677 VanDerWaalsContact O-N 3.15Å; K677-K679 PolarHBondContact O-N 3.31Å; K677-H718 WeakPolarHBondContact CA-NE2 3.47Å
678	L	92.9	Very high	95.6	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.01	15%	0.149	C	C	.	.			trans	-73.5	112.3	-174.8	-173.6	74	0	0	0	111.6	P636 L639 L675 E680 L682 A713 H718	P636-L678 HydrophobicContact CB-CD1 3.91Å; P636-L678 HydrophobicContact CG-CD1 3.87Å; L639-L678 HydrophobicContact CD1-CD1 4.42Å; L639-L678 HydrophobicContact CD2-CB 4.1Å; L639-L678 HydrophobicContact CD2-CD1 4.39Å; L639-L678 HydrophobicContact CG-CD1 4.24Å; L675-L678 WeakPolarHBondContact O-CB 3.4Å; L675-L678 PolarHBondContact O-N 3.44Å; L678-E680 WeakPolarHBondContact CG-O 3.44Å; L678-L682 HydrophobicContact CD2-CB 3.81Å; L678-A713 HydrophobicContact CB-CB 4.34Å; L678-A713 HydrophobicContact CD2-CB 4.15Å; L678-H718 PolarHBondContact O-CD2 3.17Å
679	K	88.6	Confident	95.6	Very high	94 Å²	94	28 Å²	28	41%	0.409	14%	0.141	S	C	.	.			trans	-86.5	-36.5	-179.7	-65.5	160.9	-162.5	138.5	0	113.5	D638 K677 K709 H718	D638-K679 IonicContact OD1-NZ 2.68Å; D638-K679 PolarHBondContact OD1-NZ 3.36Å; D638-K679 IonicContact OD2-NZ 2.72Å; K677-K679 PolarHBondContact O-N 3.31Å; K679-K709 WeakPolarHBondContact O-CE 3.06Å; K679-K709 PolarHBondContact O-NZ 3.05Å; K679-H718 HydrophobicContact CG-CB 4.13Å
680	E	90.9	Very high	95.5	Very high	140 Å²	140	28.5 Å²	28.5	65%	0.654	14%	0.143	S	C	*	.	S	Bend	trans	-103	-164.8	-177	-62.6	-55.1	148.4	0	0	111.2	L678 K709	L678-E680 WeakPolarHBondContact CG-O 3.44Å; E680-K709 WeakPolarHBondContact O-CE 3.43Å
681	H	95.1	Very high	95.4	Very high	94 Å²	94	30 Å²	30	44%	0.435	15%	0.15	S	C	.	.			trans	-71.9	149.2	170.2	-72.9	-156.2	0	0	0	110.5	V683 N706 G708	H681-V683 HydrophobicContact CB-CG2 4Å; H681-V683 PolarHBondContact O-N 3.2Å; H681-V683 VanDerWaalsContact O-N 3.08Å; H681-N706 PolarHBondContact ND1-OD1 2.96Å; H681-N706 VanDerWaalsContact ND1-OD1 3.11Å; H681-G708 CarbonylContact C-O 3.56Å; H681-G708 WeakPolarHBondContact CA-O 3.34Å
682	L	96.6	Very high	95.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.155	C	C	.	.			trans	-73.6	99.3	167	177.8	54.4	0	0	0	108.2	M612 F635 P636 L639 L672 L678 F684 V707 G708 P710	M612-L682 HydrophobicContact CE-CD2 3.58Å; F635-L682 HydrophobicContact CD1-CD1 4.16Å; P636-L682 HydrophobicContact CG-CD1 4.11Å; L639-L682 HydrophobicContact CD1-CD1 3.89Å; L672-L682 HydrophobicContact CD1-CD1 4.22Å; L672-L682 HydrophobicContact CD1-CD2 3.68Å; L678-L682 HydrophobicContact CD2-CB 3.81Å; L682-F684 HydrophobicContact CD1-CD1 4.1Å; L682-F684 HydrophobicContact CD2-CE1 4.5Å; L682-F684 HydrophobicContact CG-CD1 3.99Å; L682-F684 HydrophobicContact CG-CE1 4.21Å; L682-V707 HydrophobicContact CB-CG2 3.74Å; L682-V707 HydrophobicContact CD2-CG2 3.67Å; L682-V707 HydrophobicContact CG-CG2 3.75Å; L682-V707 PolarHBondContact O-N 2.92Å; L682-G708 PolarHBondContact N-O 2.99Å; L682-P710 HydrophobicContact CB-CG 4.42Å; L682-P710 HydrophobicContact CD2-CG 3.92Å
683	V	97.6	Very high	95	Very high	34 Å²	34	35.2 Å²	35.2	21%	0.206	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	132.2	174.4	-169.4	0	0	0	0	108.2	P636 H681 E704 V705 N706	P636-V683 WeakPolarHBondContact CD-O 3.31Å; H681-V683 HydrophobicContact CB-CG2 4Å; H681-V683 PolarHBondContact O-N 3.2Å; H681-V683 VanDerWaalsContact O-N 3.08Å; V683-E704 HydrophobicContact CG1-CG 3.56Å; V683-E704 WeakPolarHBondContact CG1-OE1 3.45Å; V683-V705 VanDerWaalsContact CA-O 3.29Å; V683-V705 WeakPolarHBondContact CA-O 3.39Å; V683-N706 HydrophobicContact CG2-CB 4.1Å; V683-N706 WeakPolarHBondContact CG2-ND2 3.29Å
684	F	97.9	Very high	94.7	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.009	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	164.5	179.6	61.8	-85.8	0	0	0	110.4	L602 F604 I614 V632 F635 L682 V686 V705 V707	L602-F684 HydrophobicContact CD1-CE2 4.34Å; L602-F684 HydrophobicContact CD1-CZ 4.48Å; L602-F684 HydrophobicContact CD2-CE2 4.23Å; L602-F684 HydrophobicContact CD2-CZ 3.99Å; F604-F684 HydrophobicContact CE1-CZ 4.33Å; I614-F684 HydrophobicContact CD1-CD1 4.49Å; I614-F684 HydrophobicContact CD1-CE1 3.9Å; I614-F684 HydrophobicContact CD1-CE2 4.21Å; I614-F684 HydrophobicContact CD1-CZ 3.73Å; V632-F684 HydrophobicContact CB-CD2 4.25Å; V632-F684 HydrophobicContact CG1-CD2 3.91Å; V632-F684 HydrophobicContact CG1-CE2 3.74Å; F635-F684 HydrophobicContact CD1-CB 3.54Å; F635-F684 HydrophobicContact CD1-CD1 4.31Å; F635-F684 AromaticContact CD1-CG 3.97Å; F635-F684 HydrophobicContact CD1-CG 3.97Å; F635-F684 HydrophobicContact CE1-CB 3.57Å; F635-F684 AromaticContact CE1-CD1 3.9Å; F635-F684 HydrophobicContact CE1-CD1 3.9Å; F635-F684 AromaticContact CE1-CD2 3.87Å; F635-F684 HydrophobicContact CE1-CD2 3.87Å; F635-F684 AromaticContact CE1-CG 3.51Å; F635-F684 HydrophobicContact CE1-CG 3.51Å; F635-F684 HydrophobicContact CG-CB 4.23Å; F635-F684 HydrophobicContact CZ-CB 4.3Å; F635-F684 HydrophobicContact CZ-CD2 4.16Å; F635-F684 HydrophobicContact CZ-CG 4.23Å; L682-F684 HydrophobicContact CD1-CD1 4.1Å; L682-F684 HydrophobicContact CD2-CE1 4.5Å; L682-F684 HydrophobicContact CG-CD1 3.99Å; L682-F684 HydrophobicContact CG-CE1 4.21Å; F684-V686 HydrophobicContact CE2-CG2 4.17Å; F684-V705 HydrophobicContact CE1-CB 4.44Å; F684-V705 HydrophobicContact CE1-CG1 4.27Å; F684-V705 HydrophobicContact CE2-CB 4.27Å; F684-V705 HydrophobicContact CZ-CB 4.19Å; F684-V705 HydrophobicContact CZ-CG1 4.03Å; F684-V705 PolarHBondContact N-O 3.46Å; F684-V705 PolarHBondContact O-N 3.36Å; F684-V707 HydrophobicContact CE1-CG1 4.38Å; F684-V707 HydrophobicContact CE1-CG2 4.38Å
685	T	98.3	Very high	94.3	Very high	12 Å²	12	40.3 Å²	40.3	7%	0.074	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	134.9	-178.3	-54.8	0	0	0	0	110.6	V632 T633 D634 K702	V632-T685 CarbonylContact C-O 3.58Å; V632-T685 VanDerWaalsContact CA-O 3.31Å; V632-T685 WeakPolarHBondContact CA-O 3.48Å; T633-T685 HydrophobicContact CG2-CG2 4.31Å; T633-T685 PolarHBondContact N-O 3.34Å; T633-T685 PolarHBondContact O-N 3.13Å; D634-T685 WeakPolarHBondContact CB-OG1 3.3Å; D634-T685 WeakPolarHBondContact OD2-CB 2.94Å; D634-T685 PolarHBondContact OD2-OG1 3.35Å; T685-K702 HydrophobicContact CG2-CB 3.72Å; T685-K702 HydrophobicContact CG2-CD 4.08Å; T685-K702 HydrophobicContact CG2-CG 4.3Å
686	V	98.1	Very high	93.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	113.5	160.4	-179	0	0	0	0	107.8	L592 F594 I600 L602 V632 F684 K702 Q703 V705	L592-V686 HydrophobicContact CD1-CB 3.93Å; L592-V686 HydrophobicContact CD1-CG1 4.1Å; L592-V686 HydrophobicContact CD1-CG2 3.64Å; F594-V686 HydrophobicContact CE2-CG1 4.44Å; F594-V686 HydrophobicContact CZ-CB 4.42Å; F594-V686 HydrophobicContact CZ-CG1 4.04Å; I600-V686 HydrophobicContact CD1-CG1 4.21Å; L602-V686 HydrophobicContact CD2-CG2 4.47Å; V632-V686 HydrophobicContact CG1-CG2 3.98Å; F684-V686 HydrophobicContact CE2-CG2 4.17Å; V686-K702 WeakPolarHBondContact O-CA 3.32Å; V686-Q703 PolarHBondContact N-O 3.15Å; V686-Q703 PolarHBondContact O-N 3.37Å; V686-V705 HydrophobicContact CG2-CG2 3.87Å
687	C	97.9	Very high	93.7	Very high	14 Å²	14	54.8 Å²	54.8	10%	0.095	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	145.7	174.5	-68.8	0	0	0	0	110.6	A630 Y631 T633	A630-C687 WeakPolarHBondContact CA-O 3.46Å; Y631-C687 HydrophobicContact CD1-CB 4.16Å; Y631-C687 HydrophobicContact CD2-CB 4.01Å; Y631-C687 HydrophobicContact CE1-CB 3.7Å; Y631-C687 HydrophobicContact CE2-CB 3.55Å; Y631-C687 HydrophobicContact CG-CB 4.3Å; Y631-C687 PolarHBondContact N-O 2.88Å; Y631-C687 PolarHBondContact O-N 3.25Å; T633-C687 VanDerWaalsContact CG2-SG 3.54Å
688	L	98	Very high	93.6	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	114.4	174.1	175.7	73.6	0	0	0	108.6	F594 C596 V598 I600 C628 D629 A630 Y690 E700 D701	F594-L688 HydrophobicContact CB-CD2 3.77Å; F594-L688 HydrophobicContact CD1-CB 3.73Å; F594-L688 HydrophobicContact CD1-CD2 3.67Å; F594-L688 HydrophobicContact CD1-CG 4.36Å; F594-L688 HydrophobicContact CD2-CD2 4.32Å; F594-L688 HydrophobicContact CE1-CB 3.58Å; F594-L688 HydrophobicContact CE1-CD2 4.37Å; F594-L688 HydrophobicContact CG-CB 4.36Å; F594-L688 HydrophobicContact CG-CD2 3.65Å; F594-L688 HydrophobicContact CZ-CB 4.11Å; C596-L688 VanDerWaalsContact SG-CD2 3.51Å; V598-L688 HydrophobicContact CB-CD1 4.5Å; V598-L688 HydrophobicContact CB-CD2 3.77Å; V598-L688 HydrophobicContact CG1-CD1 3.92Å; V598-L688 HydrophobicContact CG1-CD2 4.04Å; V598-L688 HydrophobicContact CG2-CD2 4.09Å; I600-L688 HydrophobicContact CD1-CB 4.4Å; I600-L688 HydrophobicContact CD1-CD1 4.05Å; C628-L688 HydrophobicContact CB-CD1 4.08Å; D629-L688 WeakPolarHBondContact O-CA 3.34Å; A630-L688 HydrophobicContact CB-CD1 4.43Å; L688-Y690 HydrophobicContact CD2-CD1 3.86Å; L688-Y690 HydrophobicContact CD2-CE1 4.25Å; L688-Y690 HydrophobicContact CG-CD1 3.84Å; L688-E700 WeakPolarHBondContact O-CA 3.35Å; L688-D701 PolarHBondContact N-O 2.84Å; L688-D701 PolarHBondContact O-N 3.18Å
689	S	97.1	Very high	93.7	Very high	22 Å²	22	59.3 Å²	59.3	15%	0.154	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	128.9	169.7	-52.6	0	0	0	0	108.2	C628 D629 V699 E700	C628-S689 CarbonylContact C-O 3.55Å; C628-S689 WeakPolarHBondContact CA-O 3.45Å; D629-S689 PolarHBondContact N-O 3.25Å; D629-S689 PolarHBondContact O-N 3.46Å; S689-V699 CarbonylContact C-O 3.59Å; S689-V699 WeakPolarHBondContact CA-O 3.5Å; S689-E700 PolarHBondContact OG-OE1 3.44Å
690	Y	96.1	Very high	94.1	Very high	20 Å²	20	61.6 Å²	61.6	8%	0.078	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	157.6	-173.7	64.9	-80.3	0	0	0	113.7	C596 I625 M627 L688 Y692 V699 D701	C596-Y690 HydrophobicContact CB-CD2 4.17Å; C596-Y690 HydrophobicContact CB-CE1 4.22Å; C596-Y690 HydrophobicContact CB-CE2 3.43Å; C596-Y690 VanDerWaalsContact CB-CE2 3.43Å; C596-Y690 VanDerWaalsContact CB-CZ 3.46Å; C596-Y690 WeakPolarHBondContact CB-OH 3.36Å; I625-Y690 HydrophobicContact CD1-CD2 3.8Å; I625-Y690 HydrophobicContact CD1-CE2 4.32Å; I625-Y690 HydrophobicContact CD1-CG 4.47Å; I625-Y690 HydrophobicContact CG1-CD2 4.15Å; M627-Y690 CarbonylContact O-C 3.58Å; M627-Y690 VanDerWaalsContact O-CA 3.32Å; M627-Y690 WeakPolarHBondContact O-CA 3.44Å; L688-Y690 HydrophobicContact CD2-CD1 3.86Å; L688-Y690 HydrophobicContact CD2-CE1 4.25Å; L688-Y690 HydrophobicContact CG-CD1 3.84Å; Y690-Y692 HydrophobicContact CD2-CE2 4.32Å; Y690-Y692 HydrophobicContact CE2-CD2 4.36Å; Y690-Y692 AromaticContact CE2-CE2 3.63Å; Y690-Y692 HydrophobicContact CE2-CE2 3.63Å; Y690-Y692 AromaticContact CE2-CZ 3.75Å; Y690-V699 HydrophobicContact CD1-CB 4.37Å; Y690-V699 WeakPolarHBondContact CD1-O 3.37Å; Y690-V699 HydrophobicContact CD2-CB 4.4Å; Y690-V699 HydrophobicContact CE1-CB 3.95Å; Y690-V699 HydrophobicContact CE1-CG1 3.86Å; Y690-V699 HydrophobicContact CE2-CB 3.97Å; Y690-V699 HydrophobicContact CE2-CG1 4.25Å; Y690-V699 HydrophobicContact CE2-CG2 4.46Å; Y690-V699 PolarHBondContact N-O 2.9Å; Y690-V699 PolarHBondContact O-N 3.11Å; Y690-V699 WeakPolarHBondContact OH-CG1 3.27Å; Y690-D701 HydrophobicContact CE1-CB 3.91Å
691	Q	95.4	Very high	94.3	Very high	34 Å²	34	57.2 Å²	57.2	16%	0.159	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	131.8	-177.3	-171.2	178	10.4	0	0	111.2	I625 I626 M627 L695 E696	I625-Q691 CarbonylContact C-O 3.56Å; I625-Q691 WeakPolarHBondContact CA-O 3.34Å; I626-Q691 HydrophobicContact CD1-CG 4.11Å; I626-Q691 HydrophobicContact CG1-CB 4.11Å; I626-Q691 HydrophobicContact CG1-CG 4.14Å; I626-Q691 WeakPolarHBondContact CG1-O 3.3Å; I626-Q691 PolarHBondContact N-O 2.91Å; M627-Q691 VanDerWaalsContact CE-OE1 3.32Å; M627-Q691 PolarHBondContact O-N 3.28Å; Q691-L695 WeakPolarHBondContact CG-O 3.46Å; Q691-L695 PolarHBondContact NE2-O 3.35Å; Q691-E696 PolarHBondContact NE2-O 3.05Å
692	Y	93.4	Very high	94.4	Very high	71 Å²	71	59.3 Å²	59.3	28%	0.278	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	148.8	175.4	-72.5	-72.1	0	0	0	112.3	E624 I625 Y690 G694 L695	E624-Y692 HydrophobicContact CB-CD1 4.38Å; E624-Y692 HydrophobicContact CG-CD1 4.26Å; E624-Y692 HydrophobicContact CG-CE1 4.17Å; E624-Y692 CarbonylContact O-C 3.56Å; E624-Y692 WeakPolarHBondContact O-CA 3.28Å; I625-Y692 HydrophobicContact CD1-CE1 4.27Å; I625-Y692 HydrophobicContact CG1-CD1 3.86Å; I625-Y692 HydrophobicContact CG1-CE1 3.79Å; Y690-Y692 HydrophobicContact CD2-CE2 4.32Å; Y690-Y692 HydrophobicContact CE2-CD2 4.36Å; Y690-Y692 AromaticContact CE2-CE2 3.63Å; Y690-Y692 HydrophobicContact CE2-CE2 3.63Å; Y690-Y692 AromaticContact CE2-CZ 3.75Å; Y692-G694 PolarHBondContact O-N 3.32Å; Y692-L695 HydrophobicContact CD2-CD1 4.39Å; Y692-L695 HydrophobicContact CG-CD1 4.44Å; Y692-L695 PolarHBondContact O-N 2.93Å
693	S	91.1	Very high	94.4	Very high	86 Å²	86	62.8 Å²	62.8	60%	0.601	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	118.7	176	-167	0	0	0	0	111.5	E624	E624-S693 PolarHBondContact O-N 3.49Å
694	G	86.7	Confident	94.4	Very high	83 Å²	83	68.2 Å²	68.2	86%	0.856	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.8	6.3	179.8	0	0	0	0	0	115.7	Y692	Y692-G694 PolarHBondContact O-N 3.32Å
695	L	87.3	Confident	94.4	Very high	93 Å²	93	68.4 Å²	68.4	49%	0.487	37%	0.369	S	S	.	.			trans	-113.9	135.4	171.7	-79.9	152.3	0	0	0	109.6	Q691 Y692	Q691-L695 WeakPolarHBondContact CG-O 3.46Å; Q691-L695 PolarHBondContact NE2-O 3.35Å; Y692-L695 HydrophobicContact CD2-CD1 4.39Å; Y692-L695 HydrophobicContact CG-CD1 4.44Å; Y692-L695 PolarHBondContact O-N 2.93Å
696	E	85.9	Confident	94.4	Very high	185 Å²	185	72.2 Å²	72.2	86%	0.864	39%	0.389	S	S	*	.			trans	-82.6	-22.9	177.7	-68.7	-176.6	173.6	0	0	112.7	Q691	Q691-E696 PolarHBondContact NE2-O 3.05Å
697	D	89.6	Confident	94.3	Very high	122 Å²	122	73.3 Å²	73.3	65%	0.652	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-74	129.2	-179	-61.9	-42.2	0	0	0	112
698	T	92	Very high	94.1	Very high	87 Å²	87	73.5 Å²	73.5	53%	0.534	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	130.7	166.3	-53.6	0	0	0	0	109.4
699	V	94.8	Very high	93.8	Very high	53 Å²	53	75.5 Å²	75.5	32%	0.321	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	140.8	174.7	-172.6	0	0	0	0	109	S689 Y690	S689-V699 CarbonylContact C-O 3.59Å; S689-V699 WeakPolarHBondContact CA-O 3.5Å; Y690-V699 HydrophobicContact CD1-CB 4.37Å; Y690-V699 WeakPolarHBondContact CD1-O 3.37Å; Y690-V699 HydrophobicContact CD2-CB 4.4Å; Y690-V699 HydrophobicContact CE1-CB 3.95Å; Y690-V699 HydrophobicContact CE1-CG1 3.86Å; Y690-V699 HydrophobicContact CE2-CB 3.97Å; Y690-V699 HydrophobicContact CE2-CG1 4.25Å; Y690-V699 HydrophobicContact CE2-CG2 4.46Å; Y690-V699 PolarHBondContact N-O 2.9Å; Y690-V699 PolarHBondContact O-N 3.11Å; Y690-V699 WeakPolarHBondContact OH-CG1 3.27Å
700	E	95.4	Very high	93.7	Very high	142 Å²	142	74.6 Å²	74.6	66%	0.664	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.1	132.1	170.6	-62.4	-168.9	149.9	0	0	109.8	L688 S689	L688-E700 WeakPolarHBondContact O-CA 3.35Å; S689-E700 PolarHBondContact OG-OE1 3.44Å
701	D	96.4	Very high	93.5	Very high	47 Å²	47	73.7 Å²	73.7	25%	0.251	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	156.4	171.2	-171.4	14	0	0	0	108.9	F594 L688 Y690	F594-D701 HydrophobicContact CD1-CB 4Å; F594-D701 WeakPolarHBondContact CD1-OD2 3.22Å; F594-D701 HydrophobicContact CE1-CB 4.5Å; L688-D701 PolarHBondContact N-O 2.84Å; L688-D701 PolarHBondContact O-N 3.18Å; Y690-D701 HydrophobicContact CE1-CB 3.91Å
702	K	96.6	Very high	93.3	Very high	139 Å²	139	72.2 Å²	72.2	60%	0.604	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.5	139.7	-174.9	67.7	-180	-171.5	167.9	0	113.4	T685 V686	T685-K702 HydrophobicContact CG2-CB 3.72Å; T685-K702 HydrophobicContact CG2-CD 4.08Å; T685-K702 HydrophobicContact CG2-CG 4.3Å; V686-K702 WeakPolarHBondContact O-CA 3.32Å
703	Q	97.8	Very high	93.2	Very high	73 Å²	73	69 Å²	69	34%	0.341	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	127.4	177.1	-170.1	174.3	-4.2	0	0	110.5	F594 V686	F594-Q703 HydrophobicContact CE1-CB 4.31Å; F594-Q703 HydrophobicContact CZ-CB 3.97Å; V686-Q703 PolarHBondContact N-O 3.15Å; V686-Q703 PolarHBondContact O-N 3.37Å
704	E	97.8	Very high	93.1	Very high	148 Å²	148	68.6 Å²	68.6	69%	0.692	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	134.9	173.7	-170.2	175.3	-156.6	0	0	110.1	V683	V683-E704 HydrophobicContact CG1-CG 3.56Å; V683-E704 WeakPolarHBondContact CG1-OE1 3.45Å
705	V	97.4	Very high	92.7	Very high	6 Å²	6	66.1 Å²	66.1	4%	0.036	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	129.2	-176.8	-179.7	0	0	0	0	109.2	M590 L592 L602 V683 F684 V686 V707	M590-V705 HydrophobicContact CE-CG1 4.15Å; M590-V705 HydrophobicContact SD-CG1 3.7Å; L592-V705 HydrophobicContact CD1-CG2 3.91Å; L592-V705 HydrophobicContact CD2-CG2 4.31Å; L602-V705 HydrophobicContact CD2-CG1 3.92Å; L602-V705 HydrophobicContact CD2-CG2 4.29Å; V683-V705 VanDerWaalsContact CA-O 3.29Å; V683-V705 WeakPolarHBondContact CA-O 3.39Å; F684-V705 HydrophobicContact CE1-CB 4.44Å; F684-V705 HydrophobicContact CE1-CG1 4.27Å; F684-V705 HydrophobicContact CE2-CB 4.27Å; F684-V705 HydrophobicContact CZ-CB 4.19Å; F684-V705 HydrophobicContact CZ-CG1 4.03Å; F684-V705 PolarHBondContact N-O 3.46Å; F684-V705 PolarHBondContact O-N 3.36Å; V686-V705 HydrophobicContact CG2-CG2 3.87Å; V705-V707 HydrophobicContact CG1-CG1 3.97Å
706	N	97.4	Very high	91.9	Very high	92 Å²	92	64.5 Å²	64.5	49%	0.492	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	116	176.3	-174.7	-33.3	0	0	0	109.2	H681 V683 G708	H681-N706 PolarHBondContact ND1-OD1 2.96Å; H681-N706 VanDerWaalsContact ND1-OD1 3.11Å; V683-N706 HydrophobicContact CG2-CB 4.1Å; V683-N706 WeakPolarHBondContact CG2-ND2 3.29Å; N706-G708 PolarHBondContact OD1-N 3Å
707	V	95.6	Very high	91.2	Very high	23 Å²	23	56.2 Å²	56.2	14%	0.139	29%	0.287	C	S	.	.			trans	-106.8	17.6	-179.7	-59.3	0	0	0	0	113.3	P587 M590 F604 L682 F684 V705	P587-V707 HydrophobicContact CB-CB 3.89Å; P587-V707 HydrophobicContact CB-CG1 4.11Å; P587-V707 HydrophobicContact CG-CB 3.81Å; P587-V707 HydrophobicContact CG-CG1 4.38Å; P587-V707 HydrophobicContact CG-CG2 4.02Å; M590-V707 HydrophobicContact CE-CG1 4.35Å; F604-V707 HydrophobicContact CE1-CG1 4.1Å; F604-V707 HydrophobicContact CE2-CG1 4.43Å; F604-V707 HydrophobicContact CZ-CG1 3.68Å; L682-V707 HydrophobicContact CB-CG2 3.74Å; L682-V707 HydrophobicContact CD2-CG2 3.67Å; L682-V707 HydrophobicContact CG-CG2 3.75Å; L682-V707 PolarHBondContact O-N 2.92Å; F684-V707 HydrophobicContact CE1-CG1 4.38Å; F684-V707 HydrophobicContact CE1-CG2 4.38Å; V705-V707 HydrophobicContact CG1-CG1 3.97Å
708	G	94.1	Very high	90.1	Very high	17 Å²	17	53.3 Å²	53.3	18%	0.175	27%	0.269	C	S	.	.			trans	66.6	-139	-178	0	0	0	0	0	112.2	H681 L682 N706	H681-G708 CarbonylContact C-O 3.56Å; H681-G708 WeakPolarHBondContact CA-O 3.34Å; L682-G708 PolarHBondContact N-O 2.99Å; N706-G708 PolarHBondContact OD1-N 3Å
709	K	92.8	Very high	88.4	Confident	43 Å²	43	58.8 Å²	58.8	19%	0.187	28%	0.28	C	S	.	.	S	Bend	trans	-110.5	101.9	176	-74.8	-178.8	168.9	-178.5	0	109.5	K679 E680 A713 D716	K679-K709 WeakPolarHBondContact O-CE 3.06Å; K679-K709 PolarHBondContact O-NZ 3.05Å; E680-K709 WeakPolarHBondContact O-CE 3.43Å; K709-A713 HydrophobicContact CB-CB 4.12Å; K709-D716 IonicContact NZ-OD1 3.74Å; K709-D716 PolarHBondContact NZ-OD1 3.23Å
710	P	93.6	Very high	86	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.013	29%	0.287	C	S	.	.			trans	-78.7	149.3	-177.6	32.4	-36.1	0	0	0	111.9	P587 M612 L675 L682 I712 A713	P587-P710 HydrophobicContact CG-CB 4.01Å; M612-P710 HydrophobicContact CE-CB 4.15Å; M612-P710 HydrophobicContact CE-CG 4.01Å; M612-P710 HydrophobicContact SD-CB 3.92Å; M612-P710 HydrophobicContact SD-CG 4.4Å; L675-P710 HydrophobicContact CD1-CG 4.17Å; L675-P710 HydrophobicContact CD2-CG 4.13Å; L682-P710 HydrophobicContact CB-CG 4.42Å; L682-P710 HydrophobicContact CD2-CG 3.92Å; P710-I712 PolarHBondContact O-N 3.19Å; P710-A713 WeakPolarHBondContact O-CB 3.5Å; P710-A713 PolarHBondContact O-N 3.15Å
711	L	92.4	Very high	83.5	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.005	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	47.9	-131.9	172.3	-51.9	177.9	0	0	0	112.6	A583 E585 L586 A606 S609 M612 L675 A713 K714	A583-L711 CarbonylContact O-C 3.23Å; A583-L711 VanDerWaalsContact O-CA 3.25Å; A583-L711 WeakPolarHBondContact O-CA 3.49Å; E585-L711 PolarHBondContact O-N 3.08Å; L586-L711 HydrophobicContact CD2-CD1 4.22Å; L586-L711 HydrophobicContact CD2-CD2 3.97Å; L586-L711 HydrophobicContact CD2-CG 4.28Å; L586-L711 HydrophobicContact CG-CD2 4.05Å; A606-L711 HydrophobicContact CB-CD1 3.91Å; A606-L711 HydrophobicContact CB-CD2 4.3Å; S609-L711 WeakPolarHBondContact O-CB 3.36Å; M612-L711 HydrophobicContact CB-CD1 4.02Å; L675-L711 HydrophobicContact CD1-CB 4.2Å; L675-L711 HydrophobicContact CD1-CD1 3.94Å; L675-L711 HydrophobicContact CD1-CG 4.35Å; L711-A713 PolarHBondContact O-N 3.32Å; L711-A713 VanDerWaalsContact O-N 3.09Å; L711-K714 VanDerWaalsContact O-CB 3.29Å; L711-K714 WeakPolarHBondContact O-CB 3.28Å; L711-K714 PolarHBondContact O-N 3.23Å; L711-K714 VanDerWaalsContact O-N 3.1Å
712	I	92.1	Very high	80.6	Confident	3 Å²	3	59.3 Å²	59.3	2%	0.015	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-58.6	-25.4	-175.7	-157.6	72.8	0	0	0	114.1	V381 L383 A583 S609 N610 L675 Q676 P710 K714 L715 M717	V381-I712 HydrophobicContact CG1-CD1 3.89Å; L383-I712 HydrophobicContact CD2-CB 4.32Å; L383-I712 HydrophobicContact CD2-CD1 4.17Å; L383-I712 HydrophobicContact CD2-CG1 3.96Å; L383-I712 HydrophobicContact CD2-CG2 4.43Å; A583-I712 HydrophobicContact CB-CD1 4.17Å; A583-I712 PolarHBondContact O-N 3.09Å; S609-I712 VanDerWaalsContact O-CB 3.24Å; S609-I712 WeakPolarHBondContact O-CB 3.32Å; S609-I712 WeakPolarHBondContact O-CG2 3.46Å; S609-I712 PolarHBondContact O-N 3.15Å; N610-I712 HydrophobicContact CB-CG2 3.76Å; L675-I712 HydrophobicContact CB-CG2 4.33Å; Q676-I712 HydrophobicContact CB-CG2 3.92Å; P710-I712 PolarHBondContact O-N 3.19Å; I712-K714 PolarHBondContact O-N 3.21Å; I712-K714 VanDerWaalsContact O-N 3.09Å; I712-L715 HydrophobicContact CD1-CD1 3.69Å; I712-L715 HydrophobicContact CD1-CG 4.41Å; I712-L715 WeakPolarHBondContact O-CB 3.46Å; I712-L715 PolarHBondContact O-N 2.9Å; I712-M717 HydrophobicContact CD1-SD 4.37Å; I712-M717 HydrophobicContact CG1-SD 3.55Å; I712-M717 VanDerWaalsContact CG1-SD 3.55Å
713	A	90.9	Very high	77.8	Confident	5 Å²	5	64.2 Å²	64.2	4%	0.041	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-60.3	-24.6	179.5	0	0	0	0	0	111.8	L678 K709 P710 L711 L715 D716	L678-A713 HydrophobicContact CB-CB 4.34Å; L678-A713 HydrophobicContact CD2-CB 4.15Å; K709-A713 HydrophobicContact CB-CB 4.12Å; P710-A713 WeakPolarHBondContact O-CB 3.5Å; P710-A713 PolarHBondContact O-N 3.15Å; L711-A713 PolarHBondContact O-N 3.32Å; L711-A713 VanDerWaalsContact O-N 3.09Å; A713-L715 PolarHBondContact O-N 3.22Å; A713-D716 PolarHBondContact O-N 3.27Å; A713-D716 VanDerWaalsContact O-N 3.16Å
714	K	88.3	Confident	75	Confident	77 Å²	77	69.3 Å²	69.3	34%	0.335	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-67.6	-12.3	177	-149.6	169.3	-168.8	169.4	0	113.8	K582 E585 L711 I712	K582-K714 HydrophobicContact CB-CD 3.97Å; K582-K714 HydrophobicContact CB-CG 4.26Å; K582-K714 HydrophobicContact CG-CD 4.16Å; K582-K714 WeakPolarHBondContact O-CB 3.32Å; K582-K714 VanDerWaalsContact O-CD 3.26Å; K582-K714 WeakPolarHBondContact O-CD 3.32Å; E585-K714 IonicContact OE1-NZ 2.64Å; E585-K714 PolarHBondContact OE1-NZ 3Å; E585-K714 VanDerWaalsContact OE1-NZ 3.14Å; E585-K714 IonicContact OE2-NZ 2.75Å; E585-K714 PolarHBondContact OE2-NZ 2.99Å; L711-K714 VanDerWaalsContact O-CB 3.29Å; L711-K714 WeakPolarHBondContact O-CB 3.28Å; L711-K714 PolarHBondContact O-N 3.23Å; L711-K714 VanDerWaalsContact O-N 3.1Å; I712-K714 PolarHBondContact O-N 3.21Å; I712-K714 VanDerWaalsContact O-N 3.09Å
715	L	79.6	Confident	72.2	Confident	31 Å²	31	68.8 Å²	68.8	16%	0.162	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-87.8	-3.2	173.5	-60.1	-172	0	0	0	113.8	E397 A583 I712 A713 M717	E397-L715 HydrophobicContact CB-CD1 4.34Å; E397-L715 HydrophobicContact CG-CD1 4.09Å; A583-L715 HydrophobicContact CB-CD1 4.02Å; A583-L715 HydrophobicContact CB-CD2 4.37Å; A583-L715 HydrophobicContact CB-CG 4.12Å; I712-L715 HydrophobicContact CD1-CD1 3.69Å; I712-L715 HydrophobicContact CD1-CG 4.41Å; I712-L715 WeakPolarHBondContact O-CB 3.46Å; I712-L715 PolarHBondContact O-N 2.9Å; A713-L715 PolarHBondContact O-N 3.22Å; L715-M717 VanDerWaalsContact C-N 3.32Å; L715-M717 HydrophobicContact CB-CG 4.36Å; L715-M717 PolarHBondContact O-N 3.42Å
716	D	70.1	Confident	69.2	Low	58 Å²	58	72.9 Å²	72.9	31%	0.31	38%	0.382	S	S	.	.			trans	53.7	41.5	176.6	-86.3	-8.2	0	0	0	114.3	K709 A713 H718 R719	K709-D716 IonicContact NZ-OD1 3.74Å; K709-D716 PolarHBondContact NZ-OD1 3.23Å; A713-D716 PolarHBondContact O-N 3.27Å; A713-D716 VanDerWaalsContact O-N 3.16Å; D716-H718 PolarHBondContact O-N 2.79Å; D716-R719 HydrophobicContact CB-CB 4.47Å; D716-R719 PolarHBondContact O-N 2.64Å
717	M	70.4	Confident	66.4	Low	12 Å²	12	74.8 Å²	74.8	6%	0.059	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-13.2	-178.9	-60	177.6	74.3	0	0	114.8	Y389 E390 N393 A394 Q676 I712 L715	Y389-M717 PolarHBondContact OH-O 2.96Å; Y389-M717 VanDerWaalsContact OH-O 3.05Å; E390-M717 WeakPolarHBondContact O-CE 3.36Å; N393-M717 HydrophobicContact CB-CB 4.3Å; N393-M717 HydrophobicContact CB-CE 3.78Å; N393-M717 PolarHBondContact ND2-O 3.04Å; A394-M717 HydrophobicContact CB-CE 3.91Å; Q676-M717 HydrophobicContact CB-SD 4.21Å; I712-M717 HydrophobicContact CD1-SD 4.37Å; I712-M717 HydrophobicContact CG1-SD 3.55Å; I712-M717 VanDerWaalsContact CG1-SD 3.55Å; L715-M717 VanDerWaalsContact C-N 3.32Å; L715-M717 HydrophobicContact CB-CG 4.36Å; L715-M717 PolarHBondContact O-N 3.42Å
718	H	66.5	Low	63.4	Low	60 Å²	60	81 Å²	81	28%	0.278	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-29.1	171.8	-57.4	-57.8	0	0	0	114.3	Y389 Q676 K677 L678 K679 D716 G720	Y389-H718 AromaticContact CE1-CE1 3.76Å; Y389-H718 PolarHBondContact OH-O 3.28Å; Q676-H718 PolarHBondContact O-NE2 2.98Å; K677-H718 WeakPolarHBondContact CA-NE2 3.47Å; L678-H718 PolarHBondContact O-CD2 3.17Å; K679-H718 HydrophobicContact CG-CB 4.13Å; D716-H718 PolarHBondContact O-N 2.79Å; H718-G720 VanDerWaalsContact C-N 3.29Å; H718-G720 PolarHBondContact O-N 3.29Å
719	R	57.1	Low	60.3	Low	203 Å²	203	86.2 Å²	86.2	77%	0.766	44%	0.442	S	S	*	.	S	Bend	trans	-87.8	71.1	173.9	-74	-173.9	171.2	-141.3	1.4	109.2	D716 L721	D716-R719 HydrophobicContact CB-CB 4.47Å; D716-R719 PolarHBondContact O-N 2.64Å; R719-L721 PolarHBondContact O-N 3.38Å; R719-L721 VanDerWaalsContact O-N 3.17Å
720	G	44.8	Very low	57.4	Low	44 Å²	44	90.1 Å²	90.1	45%	0.454	47%	0.474	S	S	.	.			trans	-49.2	126.4	170.7	0	0	0	0	0	110.2	H718 G722	H718-G720 VanDerWaalsContact C-N 3.29Å; H718-G720 PolarHBondContact O-N 3.29Å; G720-G722 PolarHBondContact O-N 3.5Å; G720-G722 VanDerWaalsContact O-N 3.1Å
721	L	42.4	Very low	54.3	Low	141 Å²	141	96.6 Å²	96.6	74%	0.738	51%	0.507	S	S	*	.			trans	-51.2	122.2	178.3	-84.7	91.9	0	0	0	108.6	R719 R723	R719-L721 PolarHBondContact O-N 3.38Å; R719-L721 VanDerWaalsContact O-N 3.17Å; L721-R723 PolarHBondContact O-N 3.16Å
722	G	35.6	Very low	51.3	Low	67 Å²	67	104.6 Å²	104.6	69%	0.691	55%	0.547	S	S	*	.			trans	-63.1	87.4	-157.8	0	0	0	0	0	115.2	G720 K724	G720-G722 PolarHBondContact O-N 3.5Å; G720-G722 VanDerWaalsContact O-N 3.1Å; G722-K724 PolarHBondContact O-N 3.28Å
723	R	38.2	Very low	48.1	Very low	243 Å²	243	110 Å²	110	92%	0.917	59%	0.585	S	S	*	*	S	Bend	trans	38.7	41.7	167.6	-78.4	-171.8	170.7	-173.3	-2.2	115.3	L721	L721-R723 PolarHBondContact O-N 3.16Å
724	K	37.8	Very low	45.1	Very low	179 Å²	179	117.5 Å²	117.5	78%	0.778	62%	0.624	S	S	*	*			trans	-132	127.1	171.4	-72.5	-175	178.5	178.8	0	108.8	G722	G722-K724 PolarHBondContact O-N 3.28Å
725	T	40.2	Very low	42.1	Very low	137 Å²	137	116.3 Å²	116.3	84%	0.84	63%	0.634	S	S	*	*	S	Bend	trans	58.3	84.4	178.4	59.2	0	0	0	0	116.3
726	C	34.3	Very low	39.8	Very low	92 Å²	92	120.7 Å²	120.7	62%	0.622	66%	0.664	S	S	*	*	S	Bend		176.1	-22.6	107.3	-90.7	0	0	0	0	114.2
727	F	38.2	Very low	37.6	Very low	132 Å²	132	129 Å²	129	58%	0.579	69%	0.693	S	S	*	*	S	Bend	trans	-107.1	54	-179.1	-70.7	-74.7	0	0	0	114.5	L448	L448-F727 HydrophobicContact CD1-CE1 4.19Å; L448-F727 HydrophobicContact CD1-CE2 4.28Å; L448-F727 HydrophobicContact CD1-CZ 3.51Å
728	Q	31.8	Very low	35.5	Very low	155 Å²	155	137.1 Å²	137.1	72%	0.724	73%	0.731	S	S	*	*			trans	-126.4	46.1	171.9	-156.7	173.4	-3.2	0	0	113.2
729	T	30.2	Very low	33.4	Very low	126 Å²	126	139.9 Å²	139.9	77%	0.773	76%	0.757	S	S	*	*			trans	-108.3	-8.2	164.6	25.4	0	0	0	0	113.4	L731	T729-L731 VanDerWaalsContact C-N 3.29Å; T729-L731 PolarHBondContact O-N 2.87Å
730	C	31.4	Very low	32	Very low	125 Å²	125	135.6 Å²	135.6	85%	0.845	76%	0.758	S	S	*	*			trans	-88.3	62.1	169.2	-72.9	0	0	0	0	112.4
731	L	28.4	Very low	31.2	Very low	137 Å²	137	138.2 Å²	138.2	72%	0.717	78%	0.776	S	S	*	*	S	Bend	trans	-130.7	108.4	151	-93.8	168.7	0	0	0	106.6	T729 S733	T729-L731 VanDerWaalsContact C-N 3.29Å; T729-L731 PolarHBondContact O-N 2.87Å; L731-S733 PolarHBondContact O-N 2.92Å; L731-S733 VanDerWaalsContact O-N 3.15Å
732	M	30.1	Very low	30.4	Very low	169 Å²	169	136 Å²	136	83%	0.833	78%	0.777	S	S	*	*			trans	-55	119.6	179.2	-73	-78.6	101.8	0	0	109.9	N734	M732-N734 PolarHBondContact O-N 3.45Å
733	S	23.6	Very low	29.9	Very low	117 Å²	117	139.3 Å²	139.3	82%	0.818	79%	0.785	S	S	*	*			trans	-70.6	114.5	169.6	-71.7	0	0	0	0	108.7	L731 G735	L731-S733 PolarHBondContact O-N 2.92Å; L731-S733 VanDerWaalsContact O-N 3.15Å; S733-G735 PolarHBondContact O-N 3.46Å
734	N	28.4	Very low	29.4	Very low	162 Å²	162	133.3 Å²	133.3	87%	0.866	78%	0.779	S	S	*	*			trans	-59.9	102.6	165.1	-82.7	-25.7	0	0	0	108.5	M732	M732-N734 PolarHBondContact O-N 3.45Å
735	G	25.3	Very low	28.8	Very low	53 Å²	53	129 Å²	129	55%	0.546	79%	0.786	S	S	.	*			trans	-60.9	133.4	176.5	0	0	0	0	0	110.7	S733 Y737	S733-G735 PolarHBondContact O-N 3.46Å; G735-Y737 PolarHBondContact O-N 2.97Å
736	P	30.4	Very low	28	Very low	123 Å²	123	125.9 Å²	125.9	80%	0.799	78%	0.781	S	S	*	*			trans	-76.4	97.3	-178.9	30.8	-33.5	0	0	0	109.9	Q738	P736-Q738 PolarHBondContact O-N 2.89Å
737	Y	24.1	Very low	27.6	Very low	233 Å²	233	127 Å²	127	91%	0.914	80%	0.797	S	S	*	*			trans	-68.2	97.6	164.8	-87.3	-80.6	0	0	0	109.4	G735 S739	G735-Y737 PolarHBondContact O-N 2.97Å; Y737-S739 PolarHBondContact O-N 3.48Å
738	Q	25.8	Very low	27.1	Very low	181 Å²	181	124.2 Å²	124.2	85%	0.846	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-65.6	131	167.8	-77.4	-172.2	-21.8	0	0	110	P736 S740	P736-Q738 PolarHBondContact O-N 2.89Å; Q738-S740 PolarHBondContact O-N 2.74Å
739	S	24.5	Very low	26.8	Very low	119 Å²	119	124.4 Å²	124.4	83%	0.832	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-55.6	125.2	173.7	178.2	0	0	0	0	111.8	Y737	Y737-S739 PolarHBondContact O-N 3.48Å
740	S	26.7	Very low	26.6	Very low	113 Å²	113	127.4 Å²	127.4	79%	0.79	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-100.2	133.4	158.7	55.1	0	0	0	0	109.4	Q738	Q738-S740 PolarHBondContact O-N 2.74Å
741	A	27.2	Very low	26.3	Very low	99 Å²	99	129 Å²	129	82%	0.818	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-74	163.7	-165.3	0	0	0	0	0	114.6
742	A	25.9	Very low	26	Very low	94 Å²	94	127.3 Å²	127.3	78%	0.777	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-73.5	154.8	-171.8	0	0	0	0	0	115.6
743	T	25.8	Very low	25.8	Very low	137 Å²	137	126.1 Å²	126.1	84%	0.84	80%	0.795	S	S	*	*			trans	-153	113.6	139.8	13.3	0	0	0	0	113.5
744	S	26.6	Very low	25.9	Very low	116 Å²	116	129.8 Å²	129.8	81%	0.811	80%	0.799	S	S	*	*			trans	45.8	125.3	139.8	62.6	0	0	0	0	124
745	G	25.9	Very low	25.8	Very low	88 Å²	88	129.2 Å²	129.2	91%	0.907	80%	0.796	S	S	*	*			trans	110.2	129.4	145.3	0	0	0	0	0	115.6
746	G	23.8	Very low	26.8	Very low	72 Å²	72	130.8 Å²	130.8	74%	0.742	80%	0.797	S	S	*	*			cis	165.5	135.1	-7.3	0	0	0	0	0	111.7
747	A	26.6	Very low	26.7	Very low	115 Å²	115	133.1 Å²	133.1	95%	0.95	80%	0.795	S	S	*	*			trans	60.6	141.6	-175	0	0	0	0	0	115.3
748	G	26	Very low	26.9	Very low	74 Å²	74	130.1 Å²	130.1	76%	0.763	79%	0.789	S	S	*	*			cis	-175.8	-162.7	-2.7	0	0	0	0	0	107.8
749	H	26.9	Very low	26.9	Very low	159 Å²	159	124.5 Å²	124.5	74%	0.736	78%	0.78	S	S	*	*			cis	-170.1	136.6	-10.7	-144	-14.3	0	0	0	108.4
750	Y	25.4	Very low	27	Very low	190 Å²	190	124.2 Å²	124.2	75%	0.745	77%	0.773	S	S	*	*			trans	64.9	154.8	174.1	-66.7	-88.9	0	0	0	117.4
751	H	24.4	Very low	27	Very low	158 Å²	158	128.3 Å²	128.3	73%	0.731	77%	0.772	S	S	*	*			cis	174.9	158.7	-31.4	-127.5	-79.9	0	0	0	107.5
752	S	23.6	Very low	27	Very low	102 Å²	102	130.8 Å²	130.8	71%	0.713	77%	0.766	S	S	*	*			trans	101.6	100.1	166.1	-154.1	0	0	0	0	115
753	L	25.7	Very low	27	Very low	144 Å²	144	130.6 Å²	130.6	75%	0.754	76%	0.76	S	S	*	*				65.2	109.9	69	-71.9	162.7	0	0	0	114.3
754	Q	24.9	Very low	27.1	Very low	193 Å²	193	132.9 Å²	132.9	90%	0.902	76%	0.76	S	S	*	*				-172.1	122.2	110.5	-101.8	172.9	-7.4	0	0	113.5
755	D	26.6	Very low	27.9	Very low	151 Å²	151	133.3 Å²	133.3	81%	0.807	76%	0.76	S	S	*	*			trans	-85.3	-169.7	152.4	-120.1	-18.2	0	0	0	108
756	P	47.2	Very low	27.8	Very low	86 Å²	86	133 Å²	133	56%	0.558	76%	0.757	S	S	*	*			cis	-146.4	-164.5	10.9	18.9	12.1	0	0	0	116.8
757	F	26.5	Very low	28	Very low	171 Å²	171	137.1 Å²	137.1	75%	0.75	76%	0.762	S	S	*	*			trans	92.9	145.1	151.6	-63.1	-57.1	0	0	0	119.5
758	H	29.1	Very low	28.8	Very low	171 Å²	171	136.8 Å²	136.8	79%	0.792	75%	0.75	S	S	*	*			cis	-163.8	168	-1.3	-131.9	-10.6	0	0	0	113.9
759	G	25.5	Very low	28.9	Very low	63 Å²	63	137.6 Å²	137.6	65%	0.649	74%	0.744	S	S	*	*			trans	72.2	122.2	157.4	0	0	0	0	0	118.8
760	V	26.4	Very low	28.9	Very low	113 Å²	113	137.2 Å²	137.2	69%	0.685	75%	0.748	S	S	*	*			cis	98.8	126.9	10.5	-159.9	0	0	0	0	117.3
761	Y	27.3	Very low	29	Very low	198 Å²	198	134.7 Å²	134.7	78%	0.776	75%	0.752	S	S	*	*			trans	83	144.4	167.4	-61.2	-46.3	0	0	0	120.1
762	H	27.8	Very low	29	Very low	151 Å²	151	133.2 Å²	133.2	70%	0.699	75%	0.754	S	S	*	*			cis	-165.7	146.7	-1.4	-121.3	-43.3	0	0	0	115.1
763	S	26	Very low	30.1	Very low	91 Å²	91	133.9 Å²	133.9	64%	0.636	76%	0.756	S	S	*	*			trans	48.9	121.8	145.2	49.7	0	0	0	0	123.4
764	H	26.7	Very low	30.1	Very low	184 Å²	184	131.5 Å²	131.5	85%	0.852	76%	0.757	S	S	*	*				78.1	158.9	77.9	-76.8	-44.6	0	0	0	117
765	P	44.1	Very low	30.2	Very low	126 Å²	126	129.9 Å²	129.9	82%	0.818	75%	0.754	S	S	*	*			cis	-138.5	179.4	-36	40.1	-23.1	0	0	0	114.4
766	G	23.5	Very low	30.2	Very low	81 Å²	81	127.7 Å²	127.7	84%	0.835	75%	0.751	S	S	*	*			trans	171.6	114.3	163.8	0	0	0	0	0	117.2
767	N	27.6	Very low	29	Very low	158 Å²	158	129.3 Å²	129.3	85%	0.845	76%	0.763	S	S	*	*			trans	-147.8	153.7	170.4	-149.2	11.1	0	0	0	106.3
768	P	44.1	Very low	29	Very low	109 Å²	109	129.6 Å²	129.6	71%	0.708	77%	0.766	S	S	*	*				-141.2	-176.2	62.5	33.4	-9.1	0	0	0	112.9
769	S	27	Very low	28.7	Very low	90 Å²	90	127.7 Å²	127.7	63%	0.629	77%	0.771	S	S	*	*			cis	-165.6	148	37.5	-40.5	0	0	0	0	113.6
770	N	27.8	Very low	28.7	Very low	152 Å²	152	129.9 Å²	129.9	81%	0.813	78%	0.776	S	S	*	*			trans	28.3	137.4	143.2	-49.9	-11.4	0	0	0	119.7
771	V	26.6	Very low	28.7	Very low	137 Å²	137	136.3 Å²	136.3	83%	0.83	79%	0.788	S	S	*	*				-154.5	151.1	50.4	167.8	0	0	0	0	111.6
772	T	25.7	Very low	28.6	Very low	127 Å²	127	133.2 Å²	133.2	78%	0.779	79%	0.79	S	S	*	*			trans	-122.2	-171.4	174.8	52.8	0	0	0	0	110
773	P	46.4	Very low	29.3	Very low	115 Å²	115	131.2 Å²	131.2	75%	0.747	79%	0.79	S	S	*	*			cis	-128.6	176	-40.6	29.6	-10.7	0	0	0	113.2
774	A	25.3	Very low	29.3	Very low	94 Å²	94	134.6 Å²	134.6	78%	0.777	80%	0.801	S	S	*	*			trans	-163.8	117.7	143.3	0	0	0	0	0	107.4
775	D	26.8	Very low	29.1	Very low	160 Å²	160	129.5 Å²	129.5	86%	0.856	79%	0.791	S	S	*	*				74.6	129.2	65.4	-86.2	-20.3	0	0	0	116.4
776	S	26.2	Very low	28.1	Very low	104 Å²	104	133.9 Å²	133.9	73%	0.727	80%	0.797	S	S	*	*			trans	-69.5	154.5	-170.7	60	0	0	0	0	116
777	C	23.8	Very low	28.2	Very low	121 Å²	121	137.2 Å²	137.2	82%	0.818	80%	0.795	S	S	*	*				-174.6	165.6	114.8	-102.2	0	0	0	0	115.6
778	H	25.8	Very low	27.9	Very low	177 Å²	177	134.9 Å²	134.9	82%	0.819	79%	0.791	S	S	*	*			trans	-61.6	157.5	176.7	-66.3	-87.2	0	0	0	114.4
779	C	23.2	Very low	27	Very low	131 Å²	131	133.9 Å²	133.9	89%	0.885	79%	0.786	S	S	*	*				-167.9	154.6	109.2	-93.9	0	0	0	0	113.5
780	S	25.6	Very low	26.9	Very low	108 Å²	108	139 Å²	139	76%	0.755	80%	0.797	S	S	*	*			trans	-97.2	149.5	174.4	40.2	0	0	0	0	111.4
781	R	26.3	Very low	26.7	Very low	249 Å²	249	135.5 Å²	135.5	94%	0.94	79%	0.79	S	S	*	*			trans	-174.8	147.7	145.5	-106.4	163.3	-173.4	-170.8	0.7	112
782	T	23.6	Very low	26.6	Very low	133 Å²	133	138 Å²	138	82%	0.816	79%	0.792	S	S	*	*			trans	-101.7	-170.4	168.4	59.2	0	0	0	0	108.7
783	P	43.5	Very low	26.4	Very low	108 Å²	108	140.4 Å²	140.4	70%	0.701	79%	0.794	S	S	*	*				-106.3	168	-120.2	21	2.2	0	0	0	113.2
784	D	25	Very low	25.4	Very low	162 Å²	162	140.6 Å²	140.6	87%	0.866	80%	0.798	S	S	*	*			trans	-173.6	149.3	132.2	-104	-30.6	0	0	0	114.4
785	A	23.8	Very low	25.2	Very low	78 Å²	78	141.7 Å²	141.7	65%	0.645	80%	0.8	S	S	*	*			trans	33	125.3	155.2	0	0	0	0	0	122
786	F	23.8	Very low	25	Very low	217 Å²	217	139.8 Å²	139.8	95%	0.952	80%	0.798	S	S	*	*				-150.1	147.4	120.3	-106.6	-73.3	0	0	0	111.5
787	I	23.8	Very low	24.8	Very low	152 Å²	152	144 Å²	144	78%	0.779	81%	0.806	S	S	*	*			trans	-114.2	159.3	-174.6	-71.6	174	0	0	0	110.3
788	S	22.6	Very low	24.8	Very low	109 Å²	109	148.3 Å²	148.3	76%	0.762	81%	0.811	S	S	*	*			trans	84.6	146.4	169.3	89.5	0	0	0	0	115
789	S	24.3	Very low	24.7	Very low	87 Å²	87	145.3 Å²	145.3	61%	0.608	81%	0.81	S	S	*	*			cis	-157.6	147.8	-4.2	37.3	0	0	0	0	110
790	F	25	Very low	24.9	Very low	198 Å²	198	150.5 Å²	150.5	87%	0.868	81%	0.811	S	S	*	*				168.2	120.4	118.1	-98.3	-72.4	0	0	0	109.8
791	A	23	Very low	25.1	Very low	79 Å²	79	150.8 Å²	150.8	65%	0.653	81%	0.813	S	S	*	*			trans	-100.2	136.4	174	0	0	0	0	0	109.8
792	H	24.9	Very low	25.1	Very low	189 Å²	189	146.7 Å²	146.7	88%	0.875	81%	0.81	S	S	*	*			trans	-116.4	109.5	155.3	-97.8	-68.8	0	0	0	108.6
793	H	22.8	Very low	25.3	Very low	178 Å²	178	145.9 Å²	145.9	82%	0.824	80%	0.804	S	S	*	*			trans	-75.8	125.2	169.8	-88.7	-76.5	0	0	0	110.1
794	S	23.9	Very low	24.5	Very low	119 Å²	119	146.9 Å²	146.9	83%	0.832	81%	0.81	S	S	*	*			trans	-129.4	112.9	153.7	-71.1	0	0	0	0	107.7
795	S	21.6	Very low	24.6	Very low	117 Å²	117	145.3 Å²	145.3	82%	0.818	81%	0.807	S	S	*	*			trans	-87.7	124.2	-178.1	52.5	0	0	0	0	111.5
796	C	22.2	Very low	24.7	Very low	120 Å²	120	149.8 Å²	149.8	81%	0.811	81%	0.814	S	S	*	*			trans	-131	143	164	-76.4	0	0	0	0	110.2
797	H	22.9	Very low	24.9	Very low	192 Å²	192	146.1 Å²	146.1	89%	0.889	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-67.4	137.7	-173.5	-78	-100.3	0	0	0	113
798	F	24.2	Very low	25.1	Very low	211 Å²	211	144.7 Å²	144.7	93%	0.925	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-81.9	118.7	163.6	-89.5	-90.3	0	0	0	110.6
799	S	23.7	Very low	25.4	Very low	115 Å²	115	147.2 Å²	147.2	80%	0.804	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-95.5	163.7	162.9	-73.8	0	0	0	0	110.4
800	R	27.2	Very low	25.5	Very low	240 Å²	240	151.8 Å²	151.8	91%	0.906	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-57.2	160.1	-169	-78.1	172.7	162.8	169.4	-8	116.1
801	S	29.6	Very low	25.6	Very low	113 Å²	113	149.3 Å²	149.3	79%	0.79	82%	0.82	S	S	*	*			trans	-18.4	133.7	168.4	-49.1	0	0	0	0	118.2
802	N	25.4	Very low	25.8	Very low	164 Å²	164	151.1 Å²	151.1	88%	0.877	83%	0.825	S	S	*	*			trans	-113.8	112.2	158.7	-76.3	-18.6	0	0	0	109.9
803	V	27.4	Very low	25.8	Very low	116 Å²	116	150.9 Å²	150.9	70%	0.703	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-88.7	142.5	154.2	175.9	0	0	0	0	106.2	V805	V803-V805 PolarHBondContact O-N 2.64Å
804	P	27.4	Very low	26	Very low	128 Å²	128	148 Å²	148	83%	0.831	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-61.3	124.1	174.6	-20.8	33.3	0	0	0	110.6
805	V	26.3	Very low	26.1	Very low	130 Å²	130	151.7 Å²	151.7	79%	0.788	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-93.7	132.8	179.3	170.3	0	0	0	0	109.3	V803	V803-V805 PolarHBondContact O-N 2.64Å
806	E	27.4	Very low	26.3	Very low	171 Å²	171	151.4 Å²	151.4	80%	0.799	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-61.8	131.7	171.1	-63.4	176.7	135.8	0	0	110.6	T808	E806-T808 PolarHBondContact O-N 3.05Å
807	T	28.1	Very low	26.6	Very low	140 Å²	140	151.6 Å²	151.6	86%	0.859	81%	0.813	S	S	*	*			trans	-79.2	89.1	-179.8	50.3	0	0	0	0	111.6
808	T	27.9	Very low	26.8	Very low	123 Å²	123	152.8 Å²	152.8	76%	0.755	81%	0.81	S	S	*	*			trans	-95.8	99.3	160.5	53.9	0	0	0	0	110.4	E806	E806-T808 PolarHBondContact O-N 3.05Å
809	D	27.6	Very low	26.9	Very low	162 Å²	162	151 Å²	151	87%	0.866	81%	0.809	S	S	*	*			trans	-96.3	109.8	162.8	-86.7	-34.4	0	0	0	109.4
810	E	26.9	Very low	27.1	Very low	182 Å²	182	156.9 Å²	156.9	85%	0.85	81%	0.814	S	S	*	*			trans	-82.3	135.1	168.4	-71	-163.5	159	0	0	111.1
811	I	26.9	Very low	27.2	Very low	147 Å²	147	153.6 Å²	153.6	75%	0.754	81%	0.812	S	S	*	*			trans	-127.5	131.8	157.6	-65.1	-175.6	0	0	0	107.5
812	P	28.5	Very low	27.2	Very low	117 Å²	117	153.4 Å²	153.4	76%	0.76	81%	0.811	S	S	*	*			trans	-87.9	137.1	-155	32.9	-36.2	0	0	0	113.6
813	F	25	Very low	27.5	Very low	184 Å²	184	154.2 Å²	154.2	81%	0.807	81%	0.809	S	S	*	*			trans	-127.7	116.2	162.1	-85	-83.4	0	0	0	111.2
814	S	26.6	Very low	27.9	Very low	117 Å²	117	162 Å²	162	82%	0.818	83%	0.834	S	S	*	*			trans	-70.6	130.1	173.1	58.3	0	0	0	0	111
815	F	25.7	Very low	27.9	Very low	197 Å²	197	163.8 Å²	163.8	86%	0.864	83%	0.834	S	S	*	*			trans	-123.3	119.2	161.5	-97	-84.6	0	0	0	111.1
816	S	26.6	Very low	28	Very low	110 Å²	110	165.5 Å²	165.5	77%	0.769	84%	0.837	S	S	*	*			trans	-82.9	124.5	168.4	59.7	0	0	0	0	110.5
817	D	27.1	Very low	28	Very low	124 Å²	124	165.2 Å²	165.2	66%	0.663	84%	0.839	S	S	*	*			trans	50.5	122.3	135.4	-131.8	27.9	0	0	0	120.4
818	R	27	Very low	28	Very low	217 Å²	217	166.7 Å²	166.7	82%	0.819	84%	0.837	S	S	*	*			trans	71	124.5	154.3	-55.8	167.1	-171.8	-141.4	-5.6	118.9
819	L	27.8	Very low	28	Very low	173 Å²	173	169.4 Å²	169.4	91%	0.906	84%	0.843	S	S	*	*				-157.9	150.3	103.4	-104.3	159.7	0	0	0	111.8
820	R	27.5	Very low	28.1	Very low	240 Å²	240	169.9 Å²	169.9	91%	0.906	84%	0.841	S	S	*	*			trans	-78.9	140.8	-178.3	-68.6	173.8	173.1	168	-5.2	110.7
821	I	29.3	Very low	28.1	Very low	171 Å²	171	169.1 Å²	169.1	88%	0.877	84%	0.84	S	S	*	*			trans	-76.4	133.1	160.8	-63.5	172.9	0	0	0	108.1
822	S	28.2	Very low	28.2	Very low	108 Å²	108	170.8 Å²	170.8	76%	0.755	85%	0.847	S	S	*	*			trans	-110	144.7	166.1	-178	0	0	0	0	108.4
823	E	32.8	Very low	28.2	Very low	181 Å²	181	175.3 Å²	175.3	85%	0.846	85%	0.854	S	S	*	*			trans	-60.2	137.6	-179	-57.3	166.1	135.8	0	0	112.9
824	K	35.3	Very low	28.5	Very low	281 Å²	281	174.5 Å²	174.5	100%	1.222	86%	0.859	S	S	*	*				-165.9	0	124	-109.7	178.3	-177.8	-177.7	0	112.4

Retrieved 824 of 824 residues in 218.3 ms (Link to these results)

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