A0A096MXL5_PAPAN Loading...

Prickle planar cell polarity protein 2

AlphaFold DB (A0A2J8TEF8), UniProt , Accession A0A096MXL5, Species PAPAN (Papio anubis, Olive baboon), Gene PRICKLE2, Length 900 aa.

						>A0A096MXL5_PAPAN|A0A096MXL5|PRICKLE2
MFSRSSRKRLSSRSLTGLGRIERGQPCNACGDQCPGFALHKWRKICLHCKCPQEEHMVTVMPLEMEKTISKLMFDFQRNSTSDDDSGCALEEYAWVPPGLKPEQVHQYYSCLPEEKVPYVNSPGEKLRIKQLLHQLPPHDNEVRYCNSLDEEEKRELKLFSSQRKRENLGRGNVRPFPVTMTGAICEQCGGQINGGDIAVFASRAGHGVCWHPPCFVCTVCNELLVDLIYFYQDGKIYCGRHHAECLKPRCAACDEIIFADECTEAEGRHWHMKHFCCFECETVLGGQRYIMKEGRPYCCHCFESLYAEYCDTCAQHIGIDQGQMTYDGQHWHATETCFCCAHCKKSLLGRPFLPKQGQIFCSRACSAGEDPNGSDSSDSAFQNARAKESRRSAKIGKNKGKTEEPMLNQHSQLQVSSNRLSADVDPLSLQMDMLSLSSQTPSLNRDPIWRSREEPYHYGNKMEQNQSQSPLQLLSQCNIRTSYSPGGQGAGAQPEMWGKHFSNPKRSSSLAMTGHAGSFIKECREDYYPGRLRSQESYSDMSSQSFSETRGSIQVPKYEEEEEEEGGMSTQQCRTRHPISSLKYTEDMTPTEQTPRGSMESLALSNATGLSADGGAKRQEHLSRFSMPDLSKDSGMNVSEKLSNMGTLNSSMQFRSAESVRSLLSAQQYQEMEGNLHQLSNPIGYRDLQSHGRMHQSFDFDGGMAGSKLPGQEGVRIQPMSERTRRRATSRDDNRRFRPHRSRRSRRSRSDNALHLASEREAISRLKDRPPLRAREDYDQFMRQRSFQESMGHGSRRDLYGQCPRTVSDLALQNAFGDRWGPYFAEYDWCSTCSSSSESDNEGYFLGEPIPQPARLRYVTSDELLHKYSSYGLPKSSTLGGRGQLHSRKRQKSKNCIIS
					

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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	35.1	Very low	30.3	Very low	225 Å²	225	180.3 Å²	180.3	100%	1.108	88%	0.881	S	S	*	*				0	144.7	0	-79.7	-174.7	167.3	0	0	110
2	F	30.9	Very low	30.3	Very low	196 Å²	196	175 Å²	175	86%	0.86	88%	0.876	S	S	*	*			trans	53.4	93.8	169.1	-54.7	-63.8	0	0	0	118.7
3	S	27.1	Very low	30.6	Very low	117 Å²	117	179.9 Å²	179.9	82%	0.818	88%	0.878	S	S	*	*			trans	-94.1	161.1	147.5	72.8	0	0	0	0	109.7
4	R	31.7	Very low	30.8	Very low	243 Å²	243	174.6 Å²	174.6	92%	0.917	87%	0.868	S	S	*	*			trans	-106.5	109.3	-175.4	-75.1	176.3	167.9	168.2	-4	111.8	S6	R4-S6 PolarHBondContact O-N 3.08Å
5	S	29.2	Very low	31.3	Very low	122 Å²	122	172.6 Å²	172.6	85%	0.853	86%	0.861	S	S	*	*			trans	-67.9	110.6	173.2	-66.8	0	0	0	0	112.4
6	S	29.8	Very low	31.6	Very low	111 Å²	111	169.4 Å²	169.4	78%	0.776	85%	0.853	S	S	*	*			trans	-97	103.4	169	-71.8	0	0	0	0	110.1	R4 K8	R4-S6 PolarHBondContact O-N 3.08Å; S6-K8 PolarHBondContact O-N 2.67Å
7	R	32.6	Very low	31.6	Very low	248 Å²	248	163.1 Å²	163.1	94%	0.936	84%	0.841	S	S	*	*			trans	-63.7	98	174.3	-70.2	-178	177.1	175.8	-1.7	110.7	R9	R7-R9 PolarHBondContact O-N 3.15Å
8	K	29.9	Very low	32.3	Very low	197 Å²	197	157.9 Å²	157.9	86%	0.857	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-66.9	123.9	167.1	-75.1	-178.3	177.8	175.1	0	109.1	S6 L10	S6-K8 PolarHBondContact O-N 2.67Å; K8-L10 PolarHBondContact O-N 3.37Å
9	R	32	Very low	32.6	Very low	244 Å²	244	151.5 Å²	151.5	92%	0.921	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-70.5	121.5	166.3	-61.6	-178.6	-174.2	-177.5	1.2	107.8	R7 S11	R7-R9 PolarHBondContact O-N 3.15Å; R9-S11 PolarHBondContact O-N 3.49Å
10	L	28.5	Very low	32.8	Very low	176 Å²	176	154.6 Å²	154.6	92%	0.921	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-71.2	117.2	166.8	-73	170.9	0	0	0	107.9	K8	K8-L10 PolarHBondContact O-N 3.37Å
11	S	26.3	Very low	33.3	Very low	104 Å²	104	153 Å²	153	73%	0.727	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-81.5	131.2	178.6	-170.2	0	0	0	0	109.9	R9 R13	R9-S11 PolarHBondContact O-N 3.49Å; S11-R13 PolarHBondContact O-N 3.24Å; S11-R13 VanDerWaalsContact O-N 3.09Å
12	S	31.2	Very low	34	Very low	117 Å²	117	144.2 Å²	144.2	82%	0.818	74%	0.74	S	S	*	*			trans	-61.2	108.9	172.6	51.6	0	0	0	0	110.1
13	R	33.2	Very low	35.1	Very low	239 Å²	239	143.8 Å²	143.8	90%	0.902	73%	0.733	S	S	*	*			trans	-127.9	59	-176.9	-152.8	178.1	-169.3	-169.9	1.8	112.7	S11	S11-R13 PolarHBondContact O-N 3.24Å; S11-R13 VanDerWaalsContact O-N 3.09Å
14	S	33.6	Very low	36.8	Very low	106 Å²	106	140.5 Å²	140.5	74%	0.741	72%	0.718	S	S	*	*			trans	-133.1	168.8	157.8	-170.5	0	0	0	0	108.1
15	L	38.5	Very low	38.6	Very low	144 Å²	144	132.3 Å²	132.3	75%	0.754	69%	0.69	S	S	*	*			trans	66.7	56	-171.3	-58.3	168.8	0	0	0	115.3
16	T	36.6	Very low	40.9	Very low	121 Å²	121	129.3 Å²	129.3	74%	0.742	67%	0.668	S	S	*	*			trans	-131.2	72.6	160.6	58.4	0	0	0	0	112.1
17	G	30.5	Very low	43.4	Very low	63 Å²	63	124.2 Å²	124.2	65%	0.649	63%	0.632	S	S	*	*	S	Bend	trans	-120.4	-76.9	161.4	0	0	0	0	0	109.4
18	L	44.2	Very low	45.6	Very low	70 Å²	70	117 Å²	117	37%	0.366	61%	0.612	S	S	.	*	S	Bend	trans	-72.4	-40	-176.5	-63	164.6	0	0	0	114.1	R20 Y145	L18-R20 PolarHBondContact O-N 3.01Å; L18-Y145 HydrophobicContact CD1-CD1 3.79Å; L18-Y145 HydrophobicContact CD1-CE1 4.36Å; L18-Y145 HydrophobicContact CD2-CD1 4.21Å; L18-Y145 HydrophobicContact CD2-CE1 3.98Å
19	G	39.4	Very low	48.1	Very low	36 Å²	36	110.8 Å²	110.8	37%	0.371	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70	29.5	-171.6	0	0	0	0	0	117.1	R23	G19-R23 PolarHBondContact O-NH2 3.49Å
20	R	36.3	Very low	50.5	Low	213 Å²	213	100.6 Å²	100.6	80%	0.804	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.3	-13.1	178.4	-143	179.6	-169.1	-131.5	-1.3	114.8	L18	L18-R20 PolarHBondContact O-N 3.01Å
21	I	43.8	Very low	53	Low	122 Å²	122	93.8 Å²	93.8	63%	0.626	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-34.2	-177.7	-60.3	177.5	0	0	0	112	R23	I21-R23 VanDerWaalsContact C-N 3.3Å; I21-R23 PolarHBondContact O-N 3.06Å
22	E	49.9	Very low	55.6	Low	40 Å²	40	97 Å²	97	19%	0.187	54%	0.544	C	S	.	.	S	Bend	trans	-83.6	-3.4	-172.8	-47.1	177.6	115.8	0	0	114.2	G24 Q25 F37 Q53	E22-G24 PolarHBondContact O-N 3.2Å; E22-G24 VanDerWaalsContact O-N 3.15Å; E22-Q25 PolarHBondContact O-N 3.05Å; E22-F37 HydrophobicContact CB-CD1 3.81Å; E22-F37 HydrophobicContact CB-CE1 4.31Å; E22-Q53 PolarHBondContact OE1-NE2 3.47Å
23	R	53.7	Low	58	Low	186 Å²	186	99.8 Å²	99.8	70%	0.702	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	106.5	-167.9	-147.8	-177.5	-63.3	-152.3	-1.1	110.1	G19 I21	G19-R23 PolarHBondContact O-NH2 3.49Å; I21-R23 VanDerWaalsContact C-N 3.3Å; I21-R23 PolarHBondContact O-N 3.06Å
24	G	61.2	Low	60.4	Low	49 Å²	49	88.7 Å²	88.7	51%	0.505	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	118.4	-8.3	-178.6	0	0	0	0	0	115.6	E22	E22-G24 PolarHBondContact O-N 3.2Å; E22-G24 VanDerWaalsContact O-N 3.15Å
25	Q	71.5	Confident	62.8	Low	70 Å²	70	88.4 Å²	88.4	33%	0.327	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-64.1	129.7	-177.8	-66.1	-65	-16.2	0	0	112	E22 G36 F37 H56	E22-Q25 PolarHBondContact O-N 3.05Å; Q25-G36 CarbonylContact O-C 3.59Å; Q25-G36 VanDerWaalsContact O-CA 3.27Å; Q25-G36 WeakPolarHBondContact O-CA 3.44Å; Q25-F37 HydrophobicContact CB-CB 4.27Å; Q25-F37 PolarHBondContact O-N 3.27Å; Q25-H56 VanDerWaalsContact CB-O 3.3Å; Q25-H56 WeakPolarHBondContact CB-O 3.27Å; Q25-H56 PolarHBondContact O-ND1 3.05Å
26	P	76.6	Confident	64.8	Low	60 Å²	60	81.8 Å²	81.8	39%	0.39	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-66	159.7	-176.3	29.7	-36.4	0	0	0	111.7	H56 M57	P26-H56 CarbonylContact O-C 3.56Å; P26-H56 VanDerWaalsContact O-C 3.31Å; P26-H56 VanDerWaalsContact O-CA 3.31Å; P26-H56 WeakPolarHBondContact O-CA 3.42Å; P26-M57 HydrophobicContact CG-CB 4.4Å; P26-M57 HydrophobicContact CG-CG 4.18Å; P26-M57 HydrophobicContact CG-SD 3.71Å
27	C	81.9	Confident	66.9	Low	3 Å²	3	76.3 Å²	76.3	2%	0.02	43%	0.431	C	S	.	.	B	Isolated β-bridge	trans	-95.8	122.4	175.3	-168.1	0	0	0	0	109.8	A29 C30 G31 C34 E55 H56	C27-A29 VanDerWaalsContact C-N 3.26Å; C27-A29 PolarHBondContact O-N 2.7Å; C27-C30 HydrophobicContact CB-CB 3.82Å; C27-C30 PolarHBondContact O-N 2.82Å; C27-C30 PolarHBondContact SG-N 2.8Å; C27-C30 VanDerWaalsContact SG-SG 3.66Å; C27-G31 WeakPolarHBondContact O-CA 2.98Å; C27-G31 PolarHBondContact O-N 3.14Å; C27-C34 HydrophobicContact CB-CB 3.83Å; C27-E55 CarbonylContact C-O 3.58Å; C27-H56 VanDerWaalsContact CB-CE1 3.44Å; C27-H56 WeakPolarHBondContact CB-CE1 3.44Å
28	N	79.6	Confident	69.4	Low	98 Å²	98	74.4 Å²	74.4	52%	0.524	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-42.2	171.9	-69.4	-34.7	0	0	0	111.2	E55 M57	N28-E55 PolarHBondContact N-O 2.87Å; N28-M57 WeakPolarHBondContact OD1-CG 3.23Å
29	A	81.8	Confident	71.1	Confident	66 Å²	66	74.3 Å²	74.3	55%	0.545	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-18	-176.5	0	0	0	0	0	114.7	C27 E55	C27-A29 VanDerWaalsContact C-N 3.26Å; C27-A29 PolarHBondContact O-N 2.7Å; A29-E55 HydrophobicContact CB-CB 4.48Å
30	C	82.3	Confident	73.2	Confident	29 Å²	29	73.1 Å²	73.1	20%	0.196	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-11.3	-175.7	-53.8	0	0	0	0	114.6	C27 D32 Q33 C34 C49	C27-C30 HydrophobicContact CB-CB 3.82Å; C27-C30 PolarHBondContact O-N 2.82Å; C27-C30 PolarHBondContact SG-N 2.8Å; C27-C30 VanDerWaalsContact SG-SG 3.66Å; C30-D32 PolarHBondContact O-N 2.81Å; C30-Q33 HydrophobicContact CB-CB 4.26Å; C30-Q33 VanDerWaalsContact O-CB 3.29Å; C30-Q33 WeakPolarHBondContact O-CB 3.49Å; C30-Q33 WeakPolarHBondContact O-CG 3.45Å; C30-Q33 PolarHBondContact O-N 3.48Å; C30-Q33 VanDerWaalsContact O-N 3.13Å; C30-C34 HydrophobicContact CB-CB 4.34Å; C30-C49 HydrophobicContact CB-CB 4.37Å
31	G	81.4	Confident	75.4	Confident	33 Å²	33	69.7 Å²	69.7	34%	0.34	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	49.6	-134.3	-170.8	0	0	0	0	0	112	C27 Q33 C34	C27-G31 WeakPolarHBondContact O-CA 2.98Å; C27-G31 PolarHBondContact O-N 3.14Å; G31-Q33 PolarHBondContact O-N 3.11Å; G31-Q33 VanDerWaalsContact O-N 3.12Å; G31-C34 PolarHBondContact O-N 2.86Å
32	D	80.3	Confident	77.2	Confident	172 Å²	172	65.7 Å²	65.7	92%	0.92	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-12.4	-178.9	-52.2	-52	0	0	0	114.5	C30 C34	C30-D32 PolarHBondContact O-N 2.81Å; D32-C34 PolarHBondContact O-N 3.12Å
33	Q	81.4	Confident	78.9	Confident	175 Å²	175	64.5 Å²	64.5	82%	0.818	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-16.5	176.2	-55.8	-179.9	38.4	0	0	112.4	C30 G31	C30-Q33 HydrophobicContact CB-CB 4.26Å; C30-Q33 VanDerWaalsContact O-CB 3.29Å; C30-Q33 WeakPolarHBondContact O-CB 3.49Å; C30-Q33 WeakPolarHBondContact O-CG 3.45Å; C30-Q33 PolarHBondContact O-N 3.48Å; C30-Q33 VanDerWaalsContact O-N 3.13Å; G31-Q33 PolarHBondContact O-N 3.11Å; G31-Q33 VanDerWaalsContact O-N 3.12Å
34	C	83.8	Confident	80.3	Confident	7 Å²	7	57.2 Å²	57.2	5%	0.047	33%	0.329	C	S	.	.	S	Bend	trans	-104.4	124.4	169.7	-166.3	0	0	0	0	110.5	C27 C30 G31 D32 G36 C49 H56	C27-C34 HydrophobicContact CB-CB 3.83Å; C30-C34 HydrophobicContact CB-CB 4.34Å; G31-C34 PolarHBondContact O-N 2.86Å; D32-C34 PolarHBondContact O-N 3.12Å; C34-G36 PolarHBondContact O-N 3.13Å; C34-G36 PolarHBondContact SG-O 3.08Å; C34-C49 HydrophobicContact CB-CB 4.07Å; C34-C49 VanDerWaalsContact SG-SG 3.63Å; C34-H56 VanDerWaalsContact SG-CE1 3.59Å
35	P	83.2	Confident	81.4	Confident	99 Å²	99	56 Å²	56	64%	0.643	31%	0.311	S	S	*	.			trans	-76	40.8	178.3	35.3	-38.8	0	0	0	112.7	H48	P35-H48 HydrophobicContact CG-CB 4.27Å
36	G	80.9	Confident	82.2	Confident	5 Å²	5	52.7 Å²	52.7	5%	0.052	30%	0.295	C	S	.	.	S	Bend	trans	85	165.5	-171.2	0	0	0	0	0	114.7	Q25 C34 H48	Q25-G36 CarbonylContact O-C 3.59Å; Q25-G36 VanDerWaalsContact O-CA 3.27Å; Q25-G36 WeakPolarHBondContact O-CA 3.44Å; C34-G36 PolarHBondContact O-N 3.13Å; C34-G36 PolarHBondContact SG-O 3.08Å; G36-H48 PolarHBondContact O-CD2 3.45Å
37	F	81.3	Confident	82.6	Confident	6 Å²	6	53.2 Å²	53.2	3%	0.026	29%	0.294	C	S	.	.			trans	-70.3	140.6	179.2	-173.9	-116.3	0	0	0	113.1	E22 Q25 L39 C46 Q53 H56	E22-F37 HydrophobicContact CB-CD1 3.81Å; E22-F37 HydrophobicContact CB-CE1 4.31Å; Q25-F37 HydrophobicContact CB-CB 4.27Å; Q25-F37 PolarHBondContact O-N 3.27Å; F37-L39 HydrophobicContact CE1-CB 3.83Å; F37-L39 HydrophobicContact CE1-CD1 4.34Å; F37-L39 HydrophobicContact CZ-CB 3.9Å; F37-L39 HydrophobicContact CZ-CD1 3.76Å; F37-L39 HydrophobicContact CZ-CG 4.43Å; F37-C46 HydrophobicContact CD2-CB 3.7Å; F37-C46 HydrophobicContact CE2-CB 3.86Å; F37-Q53 HydrophobicContact CE1-CG 4.09Å; F37-Q53 HydrophobicContact CE2-CB 4.3Å; F37-Q53 HydrophobicContact CE2-CG 4.4Å; F37-Q53 HydrophobicContact CZ-CB 3.92Å; F37-Q53 HydrophobicContact CZ-CG 3.69Å; F37-H56 HydrophobicContact CB-CB 3.92Å; F37-H56 HydrophobicContact CD2-CB 3.66Å; F37-H56 AromaticContact CD2-CD2 3.47Å; F37-H56 VanDerWaalsContact CD2-CD2 3.47Å; F37-H56 WeakPolarHBondContact CD2-CD2 3.39Å; F37-H56 AromaticContact CD2-CG 3.3Å; F37-H56 AromaticContact CD2-ND1 3.73Å; F37-H56 AromaticContact CD2-NE2 3.93Å; F37-H56 HydrophobicContact CE2-CB 4.35Å; F37-H56 AromaticContact CE2-CD2 3.97Å; F37-H56 HydrophobicContact CG-CB 3.91Å; F37-H56 AromaticContact CG-CG 3.87Å
38	A	82.7	Confident	82.8	Confident	24 Å²	24	58.1 Å²	58.1	20%	0.198	32%	0.317	C	S	.	.			trans	-145.9	110.7	165.2	0	0	0	0	0	109	C46 L47	A38-C46 CarbonylContact O-C 3.51Å; A38-C46 WeakPolarHBondContact O-CA 3.02Å; A38-L47 HydrophobicContact CB-CB 4.41Å; A38-L47 HydrophobicContact CB-CD1 4.25Å; A38-L47 WeakPolarHBondContact O-CB 3.49Å; A38-L47 WeakPolarHBondContact O-CG 3.45Å; A38-L47 PolarHBondContact O-N 3.47Å
39	L	80.8	Confident	83.2	Confident	67 Å²	67	55 Å²	55	35%	0.351	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-59.5	134.9	-178.1	-173.8	66.4	0	0	0	112	F37 L47	F37-L39 HydrophobicContact CE1-CB 3.83Å; F37-L39 HydrophobicContact CE1-CD1 4.34Å; F37-L39 HydrophobicContact CZ-CB 3.9Å; F37-L39 HydrophobicContact CZ-CD1 3.76Å; F37-L39 HydrophobicContact CZ-CG 4.43Å; L39-L47 WeakPolarHBondContact O-CD1 3.4Å
40	H	83.5	Confident	83.4	Confident	11 Å²	11	55.8 Å²	55.8	5%	0.051	29%	0.294	C	S	.	.			trans	-67.9	155.7	171.1	-178.7	-68.2	0	0	0	110.9	W42 R43 I45 L47 E282	H40-W42 AromaticContact CE1-CD1 3.14Å; H40-W42 AromaticContact CE1-CD2 3.52Å; H40-W42 AromaticContact CE1-CE2 2.86Å; H40-W42 AromaticContact CE1-CG 3.67Å; H40-W42 AromaticContact CE1-CZ2 3.44Å; H40-W42 VanDerWaalsContact CE1-CZ2 3.44Å; H40-W42 WeakPolarHBondContact CE1-CZ2 3.2Å; H40-W42 AromaticContact CE1-NE1 2.56Å; H40-W42 PolarHBondContact CE1-NE1 2.99Å; H40-W42 PolarHBondContact ND1-N 2.94Å; H40-W42 PolarHBondContact O-N 2.72Å; H40-R43 HydrophobicContact CB-CB 4.06Å; H40-R43 WeakPolarHBondContact CB-O 3.5Å; H40-R43 PolarHBondContact ND1-N 3.06Å; H40-I45 HydrophobicContact CB-CG1 4.1Å; H40-I45 WeakPolarHBondContact CB-O 3.31Å; H40-I45 PolarHBondContact N-O 2.85Å; H40-L47 HydrophobicContact CB-CD2 3.89Å; H40-L47 HydrophobicContact CB-CG 4.14Å; H40-E282 IonicContact CD2-OE1 3.37Å; H40-E282 IonicContact CE1-OE1 2.76Å; H40-E282 PolarHBondContact CE1-OE1 3.2Å; H40-E282 CovalentContact NE2-OE1 1.75Å; H40-E282 IonicContact NE2-OE1 2.7Å; H40-E282 PolarHBondContact NE2-OE1 3.17Å; H40-E282 IonicContact NE2-OE2 3.5Å
41	K	81.1	Confident	83.6	Confident	142 Å²	142	55.4 Å²	55.4	62%	0.617	29%	0.291	S	S	*	.	S	Bend	trans	-54.5	-23.2	-171.5	-57.3	173.6	-164.1	147.6	0	114.9	E282	K41-E282 IonicContact NZ-OE2 2.59Å
42	W	82.7	Confident	83.4	Confident	38 Å²	38	56.8 Å²	56.8	14%	0.144	29%	0.294	C	S	.	.	S	Bend	trans	-157.2	-30.5	-178.6	50.9	-93.9	0	0	0	112.9	H40 A253 C254 H275 C277	H40-W42 AromaticContact CE1-CD1 3.14Å; H40-W42 AromaticContact CE1-CD2 3.52Å; H40-W42 AromaticContact CE1-CE2 2.86Å; H40-W42 AromaticContact CE1-CG 3.67Å; H40-W42 AromaticContact CE1-CZ2 3.44Å; H40-W42 VanDerWaalsContact CE1-CZ2 3.44Å; H40-W42 WeakPolarHBondContact CE1-CZ2 3.2Å; H40-W42 AromaticContact CE1-NE1 2.56Å; H40-W42 PolarHBondContact CE1-NE1 2.99Å; H40-W42 PolarHBondContact ND1-N 2.94Å; H40-W42 PolarHBondContact O-N 2.72Å; W42-A253 HydrophobicContact CE3-CB 4.34Å; W42-A253 HydrophobicContact CZ3-CB 3.71Å; W42-C254 WeakPolarHBondContact O-CA 3.45Å; W42-C254 WeakPolarHBondContact O-CB 3.4Å; W42-H275 AromaticContact CD2-CD2 3.57Å; W42-H275 AromaticContact CD2-NE2 3.85Å; W42-H275 HydrophobicContact CE3-CB 3.96Å; W42-H275 AromaticContact CE3-CD2 3.2Å; W42-H275 AromaticContact CE3-CG 3.48Å; W42-H275 VanDerWaalsContact CE3-CG 3.48Å; W42-H275 AromaticContact CE3-NE2 3.69Å; W42-H275 AromaticContact CG-NE2 3.92Å; W42-H275 HydrophobicContact CH2-CB 4.21Å; W42-H275 HydrophobicContact CZ3-CB 3.48Å; W42-H275 VanDerWaalsContact CZ3-CB 3.48Å; W42-H275 AromaticContact CZ3-CD2 3.57Å; W42-H275 AromaticContact CZ3-CG 3.57Å; W42-C277 HydrophobicContact CH2-CB 4.26Å
43	R	85.9	Confident	83.3	Confident	14 Å²	14	51 Å²	51	5%	0.053	26%	0.261	C	S	.	.	S	Bend	trans	-69.4	135.2	171.7	-60.1	176.9	172.7	161.7	-7	109.3	H40 I45 A253 C277 C278 F279	H40-R43 HydrophobicContact CB-CB 4.06Å; H40-R43 WeakPolarHBondContact CB-O 3.5Å; H40-R43 PolarHBondContact ND1-N 3.06Å; R43-I45 HydrophobicContact CB-CD1 4.01Å; R43-I45 HydrophobicContact CB-CG1 3.79Å; R43-I45 PolarHBondContact O-N 3.06Å; R43-A253 VanDerWaalsContact CA-O 3.29Å; R43-A253 WeakPolarHBondContact CA-O 3.29Å; R43-C277 PolarHBondContact NH2-O 2.85Å; R43-C277 VanDerWaalsContact NH2-O 3.08Å; R43-C278 PolarHBondContact NH2-O 3.14Å; R43-F279 PolarHBondContact NH1-O 3.42Å
44	K	81.9	Confident	82.9	Confident	33 Å²	33	45.7 Å²	45.7	14%	0.143	24%	0.236	C	C	.	.	S	Bend	trans	-80.4	45.2	179.7	-57.9	-85.4	-177.4	168.2	0	112.4	Q53 H139 A253 C254 D255 E256	K44-Q53 PolarHBondContact O-N 2.83Å; K44-Q53 VanDerWaalsContact O-N 3.08Å; K44-H139 PolarHBondContact NZ-ND1 3.14Å; K44-A253 PolarHBondContact N-O 3.19Å; K44-C254 WeakPolarHBondContact CE-O 3.2Å; K44-C254 WeakPolarHBondContact CG-O 3.06Å; K44-D255 HydrophobicContact CB-CB 4.47Å; K44-D255 HydrophobicContact CG-CB 3.9Å; K44-E256 WeakPolarHBondContact CE-OE1 3.21Å; K44-E256 IonicContact NZ-OE1 3.4Å; K44-E256 PolarHBondContact NZ-OE1 2.81Å
45	I	85.2	Confident	82.5	Confident	24 Å²	24	47.8 Å²	47.8	12%	0.123	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-128.3	158.6	-175.2	71.8	-178.3	0	0	0	110.8	H40 R43 K50 C51 F279	H40-I45 HydrophobicContact CB-CG1 4.1Å; H40-I45 WeakPolarHBondContact CB-O 3.31Å; H40-I45 PolarHBondContact N-O 2.85Å; R43-I45 HydrophobicContact CB-CD1 4.01Å; R43-I45 HydrophobicContact CB-CG1 3.79Å; R43-I45 PolarHBondContact O-N 3.06Å; I45-K50 HydrophobicContact CD1-CB 4.44Å; I45-C51 CarbonylContact C-O 3.51Å; I45-C51 VanDerWaalsContact CA-O 3.27Å; I45-C51 WeakPolarHBondContact CA-O 3.42Å; I45-C51 WeakPolarHBondContact CB-O 3.36Å; I45-F279 HydrophobicContact CD1-CE2 4.08Å; I45-F279 HydrophobicContact CD1-CZ 4.07Å
46	C	87	Confident	82.2	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-69.5	134	172.2	-172.6	0	0	0	0	111.7	F37 A38 H48 K50 C51 H56	F37-C46 HydrophobicContact CD2-CB 3.7Å; F37-C46 HydrophobicContact CE2-CB 3.86Å; A38-C46 CarbonylContact O-C 3.51Å; A38-C46 WeakPolarHBondContact O-CA 3.02Å; C46-H48 PolarHBondContact O-N 2.86Å; C46-H48 PolarHBondContact SG-N 2.84Å; C46-H48 VanDerWaalsContact SG-N 3.45Å; C46-K50 WeakPolarHBondContact O-CA 3.33Å; C46-K50 PolarHBondContact O-N 3.14Å; C46-C51 PolarHBondContact N-O 3.12Å; C46-H56 WeakPolarHBondContact CB-NE2 3.46Å
47	L	86.4	Confident	81.1	Confident	71 Å²	71	45.8 Å²	45.8	37%	0.372	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-34.3	173.2	-77.1	166.9	0	0	0	112.6	A38 L39 H40 K50	A38-L47 HydrophobicContact CB-CB 4.41Å; A38-L47 HydrophobicContact CB-CD1 4.25Å; A38-L47 WeakPolarHBondContact O-CB 3.49Å; A38-L47 WeakPolarHBondContact O-CG 3.45Å; A38-L47 PolarHBondContact O-N 3.47Å; L39-L47 WeakPolarHBondContact O-CD1 3.4Å; H40-L47 HydrophobicContact CB-CD2 3.89Å; H40-L47 HydrophobicContact CB-CG 4.14Å; L47-K50 PolarHBondContact O-NZ 3.12Å
48	H	86.3	Confident	80	Confident	107 Å²	107	47 Å²	47	50%	0.495	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-66	-173.5	-60.7	-69.2	0	0	0	112.1	P35 G36 C46	P35-H48 HydrophobicContact CG-CB 4.27Å; G36-H48 PolarHBondContact O-CD2 3.45Å; C46-H48 PolarHBondContact O-N 2.86Å; C46-H48 PolarHBondContact SG-N 2.84Å; C46-H48 VanDerWaalsContact SG-N 3.45Å
49	C	87.1	Confident	78.6	Confident	33 Å²	33	48.6 Å²	48.6	22%	0.223	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-4.2	-176	63.2	0	0	0	0	115.5	C30 C34 C51 H56	C30-C49 HydrophobicContact CB-CB 4.37Å; C34-C49 HydrophobicContact CB-CB 4.07Å; C34-C49 VanDerWaalsContact SG-SG 3.63Å; C49-C51 PolarHBondContact O-N 3.14Å; C49-C51 VanDerWaalsContact O-N 3.14Å; C49-H56 VanDerWaalsContact SG-CE1 3.57Å; C49-H56 PolarHBondContact SG-NE2 2.83Å
50	K	86.8	Confident	77.5	Confident	82 Å²	82	50.6 Å²	50.6	36%	0.357	26%	0.257	S	S	.	.			trans	62.8	8.3	-177.6	-40.2	-55.6	-175.1	-167.4	0	116.4	I45 C46 L47 F279	I45-K50 HydrophobicContact CD1-CB 4.44Å; C46-K50 WeakPolarHBondContact O-CA 3.33Å; C46-K50 PolarHBondContact O-N 3.14Å; L47-K50 PolarHBondContact O-NZ 3.12Å; K50-F279 HydrophobicContact CB-CE1 4.24Å; K50-F279 HydrophobicContact CB-CZ 3.98Å; K50-F279 HydrophobicContact CG-CE1 4.17Å; K50-F279 HydrophobicContact CG-CZ 4.34Å
51	C	85	Confident	76.3	Confident	20 Å²	20	50.8 Å²	50.8	14%	0.135	26%	0.258	C	S	.	.			trans	-66.9	151.2	169.4	-64.4	0	0	0	0	111.3	I45 C46 C49 E55	I45-C51 CarbonylContact C-O 3.51Å; I45-C51 VanDerWaalsContact CA-O 3.27Å; I45-C51 WeakPolarHBondContact CA-O 3.42Å; I45-C51 WeakPolarHBondContact CB-O 3.36Å; C46-C51 PolarHBondContact N-O 3.12Å; C49-C51 PolarHBondContact O-N 3.14Å; C49-C51 VanDerWaalsContact O-N 3.14Å; C51-E55 HydrophobicContact CB-CB 4.11Å
52	P	79.1	Confident	75.6	Confident	62 Å²	62	45 Å²	45	40%	0.403	24%	0.235	S	C	.	.	B	Isolated β-bridge	trans	-67.9	158.5	175.1	31	-34.9	0	0	0	111.2	E54 E55	P52-E54 PolarHBondContact O-N 3.25Å; P52-E54 VanDerWaalsContact O-N 3.12Å; P52-E55 HydrophobicContact CG-CG 3.99Å; P52-E55 PolarHBondContact O-N 2.77Å
53	Q	76.6	Confident	74.6	Confident	50 Å²	50	48.3 Å²	48.3	23%	0.234	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-54.3	-31.8	-179.3	-172.8	172.5	6.5	0	0	113.3	E22 F37 K44 E55 H56	E22-Q53 PolarHBondContact OE1-NE2 3.47Å; F37-Q53 HydrophobicContact CE1-CG 4.09Å; F37-Q53 HydrophobicContact CE2-CB 4.3Å; F37-Q53 HydrophobicContact CE2-CG 4.4Å; F37-Q53 HydrophobicContact CZ-CB 3.92Å; F37-Q53 HydrophobicContact CZ-CG 3.69Å; K44-Q53 PolarHBondContact O-N 2.83Å; K44-Q53 VanDerWaalsContact O-N 3.08Å; Q53-E55 PolarHBondContact O-N 3.38Å; Q53-H56 PolarHBondContact O-N 3.14Å; Q53-H56 VanDerWaalsContact O-N 3.12Å
54	E	72.8	Confident	73.6	Confident	64 Å²	64	53 Å²	53	30%	0.299	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-63.9	-19.2	176.9	-62.5	-175.5	-161.1	0	0	115.1	P52 K130 H134	P52-E54 PolarHBondContact O-N 3.25Å; P52-E54 VanDerWaalsContact O-N 3.12Å; E54-K130 HydrophobicContact CB-CD 4.47Å; E54-K130 PolarHBondContact O-NZ 3.45Å; E54-K130 WeakPolarHBondContact OE2-CE 3.38Å; E54-K130 IonicContact OE2-NZ 3.04Å; E54-H134 IonicContact OE1-CE1 3.21Å; E54-H134 IonicContact OE1-CG 3.56Å; E54-H134 IonicContact OE1-ND1 3.85Å; E54-H134 PolarHBondContact OE1-ND1 3.49Å; E54-H134 IonicContact OE2-ND1 3.98Å
55	E	77.1	Confident	72.8	Confident	51 Å²	51	52.3 Å²	52.3	24%	0.238	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-90.4	-3	176.5	-67.1	-51.1	127.9	0	0	113	C27 N28 A29 C51 P52 Q53 M57 K130	C27-E55 CarbonylContact C-O 3.58Å; N28-E55 PolarHBondContact N-O 2.87Å; A29-E55 HydrophobicContact CB-CB 4.48Å; C51-E55 HydrophobicContact CB-CB 4.11Å; P52-E55 HydrophobicContact CG-CG 3.99Å; P52-E55 PolarHBondContact O-N 2.77Å; Q53-E55 PolarHBondContact O-N 3.38Å; E55-M57 PolarHBondContact O-N 3.06Å; E55-K130 IonicContact OE1-NZ 3.52Å; E55-K130 PolarHBondContact OE1-NZ 2.88Å
56	H	75.5	Confident	72	Confident	6 Å²	6	55.2 Å²	55.2	3%	0.028	29%	0.288	C	S	.	.	S	Bend	trans	-100.7	42.8	-175.4	-84.2	-82.4	0	0	0	114	Q25 P26 C27 C34 F37 C46 C49 Q53	Q25-H56 VanDerWaalsContact CB-O 3.3Å; Q25-H56 WeakPolarHBondContact CB-O 3.27Å; Q25-H56 PolarHBondContact O-ND1 3.05Å; P26-H56 CarbonylContact O-C 3.56Å; P26-H56 VanDerWaalsContact O-C 3.31Å; P26-H56 VanDerWaalsContact O-CA 3.31Å; P26-H56 WeakPolarHBondContact O-CA 3.42Å; C27-H56 VanDerWaalsContact CB-CE1 3.44Å; C27-H56 WeakPolarHBondContact CB-CE1 3.44Å; C34-H56 VanDerWaalsContact SG-CE1 3.59Å; F37-H56 HydrophobicContact CB-CB 3.92Å; F37-H56 HydrophobicContact CD2-CB 3.66Å; F37-H56 AromaticContact CD2-CD2 3.47Å; F37-H56 VanDerWaalsContact CD2-CD2 3.47Å; F37-H56 WeakPolarHBondContact CD2-CD2 3.39Å; F37-H56 AromaticContact CD2-CG 3.3Å; F37-H56 AromaticContact CD2-ND1 3.73Å; F37-H56 AromaticContact CD2-NE2 3.93Å; F37-H56 HydrophobicContact CE2-CB 4.35Å; F37-H56 AromaticContact CE2-CD2 3.97Å; F37-H56 HydrophobicContact CG-CB 3.91Å; F37-H56 AromaticContact CG-CG 3.87Å; C46-H56 WeakPolarHBondContact CB-NE2 3.46Å; C49-H56 VanDerWaalsContact SG-CE1 3.57Å; C49-H56 PolarHBondContact SG-NE2 2.83Å; Q53-H56 PolarHBondContact O-N 3.14Å; Q53-H56 VanDerWaalsContact O-N 3.12Å
57	M	59.4	Low	71.2	Confident	56 Å²	56	62.2 Å²	62.2	28%	0.276	32%	0.319	S	S	.	.			trans	41.6	79.7	178.3	-73.3	-157.1	73.3	0	0	113.9	P26 N28 E55 T59	P26-M57 HydrophobicContact CG-CB 4.4Å; P26-M57 HydrophobicContact CG-CG 4.18Å; P26-M57 HydrophobicContact CG-SD 3.71Å; N28-M57 WeakPolarHBondContact OD1-CG 3.23Å; E55-M57 PolarHBondContact O-N 3.06Å; M57-T59 PolarHBondContact O-N 2.89Å; M57-T59 PolarHBondContact O-OG1 2.93Å
58	V	58.1	Low	70.4	Confident	33 Å²	33	59.4 Å²	59.4	20%	0.2	30%	0.304	C	S	.	.			trans	-71.1	70.2	163.8	-168.6	0	0	0	0	109.2	V60 I129 L133	V58-V60 VanDerWaalsContact C-N 3.25Å; V58-I129 HydrophobicContact CB-CG2 4.23Å; V58-I129 HydrophobicContact CG1-CG2 3.57Å; V58-L133 HydrophobicContact CB-CD1 4.31Å; V58-L133 HydrophobicContact CG1-CD1 3.67Å; V58-L133 HydrophobicContact CG2-CD1 3.97Å
59	T	52.9	Low	69.5	Low	57 Å²	57	54.4 Å²	54.4	35%	0.35	28%	0.281	S	S	.	.			trans	-72.8	-24.1	179.4	-39.7	0	0	0	0	111.3	M57	M57-T59 PolarHBondContact O-N 2.89Å; M57-T59 PolarHBondContact O-OG1 2.93Å
60	V	57.5	Low	68.7	Low	108 Å²	108	54.3 Å²	54.3	66%	0.655	28%	0.281	S	S	*	.	S	Bend	trans	-141.5	126.1	174.8	-177.8	0	0	0	0	107.5	V58	V58-V60 VanDerWaalsContact C-N 3.25Å
61	M	58.7	Low	68	Low	15 Å²	15	55.8 Å²	55.8	7%	0.074	29%	0.287	C	S	.	.			trans	-73	133.4	170	-161.7	162.8	80.2	0	0	108.9	L63 M65 E66 I69 I129 L132 L133	M61-L63 PolarHBondContact O-N 2.82Å; M61-M65 HydrophobicContact CG-CB 4.42Å; M61-M65 HydrophobicContact CG-CG 4.34Å; M61-M65 HydrophobicContact CG-SD 4.21Å; M61-E66 VanDerWaalsContact CE-CA 3.47Å; M61-E66 HydrophobicContact CE-CB 3.96Å; M61-E66 HydrophobicContact CE-CG 4.26Å; M61-I69 HydrophobicContact CE-CB 4.22Å; M61-I69 HydrophobicContact CE-CD1 3.85Å; M61-I69 HydrophobicContact CE-CG1 4.39Å; M61-I69 HydrophobicContact SD-CD1 3.99Å; M61-I129 HydrophobicContact CB-CG2 4.15Å; M61-L132 HydrophobicContact CE-CD2 3.69Å; M61-L132 HydrophobicContact CE-CG 4.49Å; M61-L132 HydrophobicContact SD-CD2 3.97Å; M61-L132 HydrophobicContact SD-CG 4.39Å; M61-L133 HydrophobicContact CG-CD2 3.89Å; M61-L133 HydrophobicContact CG-CG 4.44Å; M61-L133 HydrophobicContact SD-CD2 3.47Å; M61-L133 WeakPolarHBondContact SD-CD2 3.48Å; M61-L133 HydrophobicContact SD-CG 3.97Å
62	P	65.1	Low	67.1	Low	20 Å²	20	55.8 Å²	55.8	13%	0.13	29%	0.286	C	S	.	.			trans	-56.9	129.7	-176.5	-26.5	34.4	0	0	0	111.8	E64 M65 E66	P62-E64 PolarHBondContact O-N 3.5Å; P62-M65 HydrophobicContact CB-CB 4.16Å; P62-M65 HydrophobicContact CG-CE 4.35Å; P62-M65 CarbonylContact O-C 3.56Å; P62-M65 WeakPolarHBondContact O-CA 3.31Å; P62-M65 VanDerWaalsContact O-CB 3.23Å; P62-M65 WeakPolarHBondContact O-CB 3.32Å; P62-M65 PolarHBondContact O-N 2.86Å; P62-E66 PolarHBondContact O-N 2.75Å
63	L	63	Low	66.4	Low	109 Å²	109	53.7 Å²	53.7	57%	0.571	27%	0.271	S	S	*	.	H	α-helix	trans	-53.8	-24.8	-173.2	-64.8	172.2	0	0	0	114.9	M61 E66 K67	M61-L63 PolarHBondContact O-N 2.82Å; L63-E66 WeakPolarHBondContact CD2-OE2 3.38Å; L63-K67 WeakPolarHBondContact O-CD 3.46Å; L63-K67 WeakPolarHBondContact O-CG 3.41Å; L63-K67 PolarHBondContact O-N 2.95Å; L63-K67 VanDerWaalsContact O-N 3.15Å
64	E	64.9	Low	65.4	Low	112 Å²	112	57.7 Å²	57.7	52%	0.523	29%	0.288	S	S	.	.	H	α-helix	trans	-76	-39.2	172.4	-63.9	-172.8	178.6	0	0	112.6	P62 K67 T68 Y145	P62-E64 PolarHBondContact O-N 3.5Å; E64-K67 PolarHBondContact O-N 2.79Å; E64-T68 PolarHBondContact O-N 2.97Å; E64-T68 VanDerWaalsContact O-N 3.08Å; E64-Y145 PolarHBondContact O-OH 3.23Å
65	M	65.3	Low	64.4	Low	18 Å²	18	59.7 Å²	59.7	9%	0.089	30%	0.301	C	S	.	.	H	α-helix	trans	-68.2	-42.2	175.8	-167.1	175.8	-69.5	0	0	110.3	M61 P62 T68 I69 L133 P138 Y145	M61-M65 HydrophobicContact CG-CB 4.42Å; M61-M65 HydrophobicContact CG-CG 4.34Å; M61-M65 HydrophobicContact CG-SD 4.21Å; P62-M65 HydrophobicContact CB-CB 4.16Å; P62-M65 HydrophobicContact CG-CE 4.35Å; P62-M65 CarbonylContact O-C 3.56Å; P62-M65 WeakPolarHBondContact O-CA 3.31Å; P62-M65 VanDerWaalsContact O-CB 3.23Å; P62-M65 WeakPolarHBondContact O-CB 3.32Å; P62-M65 PolarHBondContact O-N 2.86Å; M65-T68 WeakPolarHBondContact CA-OG1 3.41Å; M65-T68 PolarHBondContact O-N 2.88Å; M65-T68 VanDerWaalsContact O-N 3.07Å; M65-T68 PolarHBondContact O-OG1 2.38Å; M65-I69 PolarHBondContact O-N 2.89Å; M65-L133 HydrophobicContact CG-CD2 4.27Å; M65-L133 HydrophobicContact SD-CD2 3.34Å; M65-L133 WeakPolarHBondContact SD-CD2 3.44Å; M65-P138 HydrophobicContact CE-CG 3.91Å; M65-P138 HydrophobicContact CG-CB 4.04Å; M65-P138 HydrophobicContact CG-CG 3.97Å; M65-P138 HydrophobicContact SD-CG 3.88Å; M65-Y145 HydrophobicContact CE-CD1 4.19Å; M65-Y145 HydrophobicContact CE-CE1 4.23Å
66	E	67.8	Low	63	Low	85 Å²	85	61.4 Å²	61.4	40%	0.397	31%	0.307	S	S	.	.	H	α-helix	trans	-53.1	-53.5	167.5	-168.1	-170.1	177.2	0	0	111.1	M61 P62 L63 T68 I69 S70	M61-E66 VanDerWaalsContact CE-CA 3.47Å; M61-E66 HydrophobicContact CE-CB 3.96Å; M61-E66 HydrophobicContact CE-CG 4.26Å; P62-E66 PolarHBondContact O-N 2.75Å; L63-E66 WeakPolarHBondContact CD2-OE2 3.38Å; E66-T68 PolarHBondContact O-N 2.84Å; E66-T68 VanDerWaalsContact O-N 3.11Å; E66-I69 PolarHBondContact O-N 3.28Å; E66-I69 VanDerWaalsContact O-N 3.09Å; E66-S70 VanDerWaalsContact O-CB 3.29Å; E66-S70 WeakPolarHBondContact O-CB 3.29Å; E66-S70 PolarHBondContact O-N 3.15Å; E66-S70 PolarHBondContact O-OG 3.1Å; E66-S70 VanDerWaalsContact O-OG 3.08Å
67	K	70.4	Confident	61.7	Low	148 Å²	148	64.7 Å²	64.7	64%	0.643	32%	0.323	S	S	*	.	H	α-helix	trans	-55.6	-32.4	175.2	-74.6	164.3	-170.7	173.7	0	113.6	L63 E64 K71	L63-K67 WeakPolarHBondContact O-CD 3.46Å; L63-K67 WeakPolarHBondContact O-CG 3.41Å; L63-K67 PolarHBondContact O-N 2.95Å; L63-K67 VanDerWaalsContact O-N 3.15Å; E64-K67 PolarHBondContact O-N 2.79Å; K67-K71 WeakPolarHBondContact O-CB 3.4Å; K67-K71 PolarHBondContact O-N 3.02Å
68	T	69.3	Low	60.7	Low	12 Å²	12	73.1 Å²	73.1	7%	0.074	35%	0.351	C	S	.	.	H	α-helix	trans	-76.7	-39.5	175.6	57.6	0	0	0	0	113.6	E64 M65 E66 K71 L72 E142 Y145	E64-T68 PolarHBondContact O-N 2.97Å; E64-T68 VanDerWaalsContact O-N 3.08Å; M65-T68 WeakPolarHBondContact CA-OG1 3.41Å; M65-T68 PolarHBondContact O-N 2.88Å; M65-T68 VanDerWaalsContact O-N 3.07Å; M65-T68 PolarHBondContact O-OG1 2.38Å; E66-T68 PolarHBondContact O-N 2.84Å; E66-T68 VanDerWaalsContact O-N 3.11Å; T68-K71 WeakPolarHBondContact O-CB 3.26Å; T68-K71 PolarHBondContact O-N 3.02Å; T68-L72 PolarHBondContact O-N 3.08Å; T68-E142 WeakPolarHBondContact CG2-OE2 3.4Å; T68-Y145 HydrophobicContact CG2-CE2 4.04Å; T68-Y145 WeakPolarHBondContact CG2-OH 3.36Å
69	I	68.3	Low	59.7	Low	2 Å²	2	78 Å²	78	1%	0.01	38%	0.377	C	S	.	.	H	α-helix	trans	-73.9	-44.4	177.5	-63.7	-176.2	0	0	0	110.4	M61 M65 E66 K71 L72 M73 L132 L133 L136	M61-I69 HydrophobicContact CE-CB 4.22Å; M61-I69 HydrophobicContact CE-CD1 3.85Å; M61-I69 HydrophobicContact CE-CG1 4.39Å; M61-I69 HydrophobicContact SD-CD1 3.99Å; M65-I69 PolarHBondContact O-N 2.89Å; E66-I69 PolarHBondContact O-N 3.28Å; E66-I69 VanDerWaalsContact O-N 3.09Å; I69-K71 PolarHBondContact O-N 3.13Å; I69-L72 WeakPolarHBondContact O-CA 3.3Å; I69-L72 VanDerWaalsContact O-CB 3.27Å; I69-L72 WeakPolarHBondContact O-CB 3.46Å; I69-L72 PolarHBondContact O-N 3.16Å; I69-M73 PolarHBondContact O-N 3.23Å; I69-L132 HydrophobicContact CD1-CG 4.13Å; I69-L132 HydrophobicContact CG2-CD1 3.77Å; I69-L132 HydrophobicContact CG2-CD2 4.11Å; I69-L132 HydrophobicContact CG2-CG 3.96Å; I69-L133 HydrophobicContact CD1-CD2 4.44Å; I69-L136 HydrophobicContact CG2-CD1 4.28Å
70	S	68.5	Low	59.2	Low	31 Å²	31	81 Å²	81	22%	0.217	40%	0.4	C	S	.	.	H	α-helix	trans	-59.2	-31.2	170.3	-56	0	0	0	0	112	E66 M73 F74	E66-S70 VanDerWaalsContact O-CB 3.29Å; E66-S70 WeakPolarHBondContact O-CB 3.29Å; E66-S70 PolarHBondContact O-N 3.15Å; E66-S70 PolarHBondContact O-OG 3.1Å; E66-S70 VanDerWaalsContact O-OG 3.08Å; S70-M73 CarbonylContact O-C 3.54Å; S70-M73 WeakPolarHBondContact O-CA 3.23Å; S70-M73 WeakPolarHBondContact O-CB 3.49Å; S70-M73 PolarHBondContact O-N 2.79Å; S70-M73 VanDerWaalsContact O-N 3.09Å; S70-F74 WeakPolarHBondContact O-CB 3.34Å; S70-F74 WeakPolarHBondContact O-CD2 3.38Å; S70-F74 PolarHBondContact O-N 2.98Å
71	K	73.4	Confident	58.2	Low	113 Å²	113	81.7 Å²	81.7	49%	0.491	41%	0.405	S	S	.	.	H	α-helix	trans	-63.5	-40.6	170.6	-178.2	-178.1	173.8	-170	0	112.5	K67 T68 I69 M73 F74 D75	K67-K71 WeakPolarHBondContact O-CB 3.4Å; K67-K71 PolarHBondContact O-N 3.02Å; T68-K71 WeakPolarHBondContact O-CB 3.26Å; T68-K71 PolarHBondContact O-N 3.02Å; I69-K71 PolarHBondContact O-N 3.13Å; K71-M73 PolarHBondContact O-N 3.21Å; K71-F74 PolarHBondContact O-N 3.35Å; K71-D75 PolarHBondContact O-N 2.95Å; K71-D75 VanDerWaalsContact O-N 3.16Å
72	L	66.4	Low	57.5	Low	20 Å²	20	85.8 Å²	85.8	11%	0.105	44%	0.435	C	S	.	.	H	α-helix	trans	-59.2	-26.3	172.2	-55.9	175.5	0	0	0	112.1	T68 I69 K165	T68-L72 PolarHBondContact O-N 3.08Å; I69-L72 WeakPolarHBondContact O-CA 3.3Å; I69-L72 VanDerWaalsContact O-CB 3.27Å; I69-L72 WeakPolarHBondContact O-CB 3.46Å; I69-L72 PolarHBondContact O-N 3.16Å; L72-K165 HydrophobicContact CD2-CD 4.05Å; L72-K165 VanDerWaalsContact CD2-CE 3.45Å
73	M	63.1	Low	56.6	Low	18 Å²	18	93.2 Å²	93.2	9%	0.089	47%	0.473	C	S	.	.	H	α-helix	trans	-85.1	-41.9	176.5	-57.7	162.9	72.8	0	0	112.3	I69 S70 K71 D75 F76 D227 I229	I69-M73 PolarHBondContact O-N 3.23Å; S70-M73 CarbonylContact O-C 3.54Å; S70-M73 WeakPolarHBondContact O-CA 3.23Å; S70-M73 WeakPolarHBondContact O-CB 3.49Å; S70-M73 PolarHBondContact O-N 2.79Å; S70-M73 VanDerWaalsContact O-N 3.09Å; K71-M73 PolarHBondContact O-N 3.21Å; M73-D75 VanDerWaalsContact C-N 3.34Å; M73-D75 PolarHBondContact O-N 3.34Å; M73-F76 PolarHBondContact O-N 3.36Å; M73-F76 VanDerWaalsContact O-N 3.16Å; M73-D227 HydrophobicContact CE-CB 4.01Å; M73-D227 WeakPolarHBondContact CE-OD2 3.47Å; M73-I229 HydrophobicContact CG-CD1 3.71Å; M73-I229 HydrophobicContact SD-CD1 4.27Å
74	F	55.8	Low	56.1	Low	133 Å²	133	94.7 Å²	94.7	58%	0.583	48%	0.482	S	S	*	.	H	α-helix	trans	-67.8	-29.5	-177.2	-82.2	-59.7	0	0	0	113.4	S70 K71 F76 Q77	S70-F74 WeakPolarHBondContact O-CB 3.34Å; S70-F74 WeakPolarHBondContact O-CD2 3.38Å; S70-F74 PolarHBondContact O-N 2.98Å; K71-F74 PolarHBondContact O-N 3.35Å; F74-F76 PolarHBondContact O-N 3.23Å; F74-F76 VanDerWaalsContact O-N 3.08Å; F74-Q77 HydrophobicContact CD1-CB 4.32Å; F74-Q77 PolarHBondContact O-N 2.88Å
75	D	51.8	Low	55.5	Low	107 Å²	107	96.7 Å²	96.7	57%	0.572	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-20.6	173.7	-75.2	-26.9	0	0	0	112.3	K71 M73	K71-D75 PolarHBondContact O-N 2.95Å; K71-D75 VanDerWaalsContact O-N 3.16Å; M73-D75 VanDerWaalsContact C-N 3.34Å; M73-D75 PolarHBondContact O-N 3.34Å
76	F	48.5	Very low	55	Low	87 Å²	87	100.2 Å²	100.2	38%	0.382	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-10.6	172.8	-67.5	-86.6	0	0	0	114.9	M73 F74 R78 L169	M73-F76 PolarHBondContact O-N 3.36Å; M73-F76 VanDerWaalsContact O-N 3.16Å; F74-F76 PolarHBondContact O-N 3.23Å; F74-F76 VanDerWaalsContact O-N 3.08Å; F76-R78 VanDerWaalsContact C-N 3.25Å; F76-R78 PolarHBondContact O-N 2.89Å; F76-L169 HydrophobicContact CE2-CD2 3.83Å; F76-L169 HydrophobicContact CE2-CG 3.87Å; F76-L169 HydrophobicContact CZ-CD2 4.25Å; F76-L169 HydrophobicContact CZ-CG 3.93Å
77	Q	48.2	Very low	54.1	Low	75 Å²	75	98.7 Å²	98.7	35%	0.35	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	12.7	-178.8	-78.8	173.5	-96.3	0	0	113.9	F74 N79	F74-Q77 HydrophobicContact CD1-CB 4.32Å; F74-Q77 PolarHBondContact O-N 2.88Å; Q77-N79 PolarHBondContact O-N 3.48Å
78	R	37.1	Very low	53.3	Low	232 Å²	232	95.5 Å²	95.5	88%	0.875	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	3.6	178.3	-117.6	176.3	176	169.7	-1.5	115	F76	F76-R78 VanDerWaalsContact C-N 3.25Å; F76-R78 PolarHBondContact O-N 2.89Å
79	N	38	Very low	52.7	Low	136 Å²	136	95.8 Å²	95.8	73%	0.727	53%	0.529	S	S	*	.	S	Bend	trans	-129.8	132.2	172.8	-68.9	89.2	0	0	0	109.4	Q77	Q77-N79 PolarHBondContact O-N 3.48Å
80	S	42.7	Very low	52.3	Low	120 Å²	120	101.2 Å²	101.2	84%	0.839	56%	0.557	S	S	*	*			trans	67.2	68.1	173.3	-52.9	0	0	0	0	117
81	T	36	Very low	52.4	Low	123 Å²	123	107.2 Å²	107.2	76%	0.755	58%	0.582	S	S	*	*			trans	-110.9	87.8	148.1	55.2	0	0	0	0	108.8
82	S	43.7	Very low	52.7	Low	101 Å²	101	106.6 Å²	106.6	71%	0.706	58%	0.581	S	S	*	*			trans	-83.9	136.8	162.9	46.7	0	0	0	0	109	D84	S82-D84 PolarHBondContact O-N 3.27Å
83	D	46.8	Very low	53.6	Low	175 Å²	175	105.9 Å²	105.9	94%	0.936	58%	0.577	S	S	*	*			trans	-84.1	54.5	-168.4	-155.1	28.7	0	0	0	111.8
84	D	52.5	Low	54.7	Low	140 Å²	140	106.4 Å²	106.4	75%	0.749	58%	0.584	S	S	*	*			trans	-94.4	103.2	-175.9	-118.6	-21	0	0	0	110.6	S82 S86	S82-D84 PolarHBondContact O-N 3.27Å; D84-S86 PolarHBondContact O-N 2.93Å
85	D	51.7	Low	56.3	Low	154 Å²	154	101.3 Å²	101.3	82%	0.824	56%	0.561	S	S	*	*			trans	-66.4	109.1	179.8	-177.3	14.5	0	0	0	111
86	S	55.3	Low	58	Low	92 Å²	92	97.6 Å²	97.6	64%	0.643	54%	0.542	S	S	*	.			trans	-158.9	85.3	-176.1	-78.5	0	0	0	0	112.9	D84	D84-S86 PolarHBondContact O-N 2.93Å
87	G	48.1	Very low	60	Low	53 Å²	53	93.5 Å²	93.5	55%	0.546	52%	0.524	S	S	.	.			trans	58.1	97.6	158	0	0	0	0	0	116	A89 P102	G87-A89 PolarHBondContact O-N 3.07Å; G87-P102 WeakPolarHBondContact O-CG 3.3Å
88	C	54.1	Low	61.7	Low	81 Å²	81	92.3 Å²	92.3	55%	0.547	52%	0.523	S	S	.	.			trans	-64.1	82.7	-176	-68.6	0	0	0	0	114.6	L90 E91	C88-L90 PolarHBondContact O-N 3.21Å; C88-E91 HydrophobicContact CB-CG 3.99Å; C88-E91 WeakPolarHBondContact O-CB 3.36Å; C88-E91 PolarHBondContact O-N 3.03Å
89	A	57.5	Low	63.9	Low	19 Å²	19	85.1 Å²	85.1	16%	0.157	52%	0.521	C	S	.	.	G	3₁₀ helix	trans	-57.3	-12.8	166.5	0	0	0	0	0	113.3	G87 E91 E92 Y93 V96 P102 V105	G87-A89 PolarHBondContact O-N 3.07Å; A89-E91 PolarHBondContact O-N 2.94Å; A89-E92 PolarHBondContact O-N 2.93Å; A89-Y93 WeakPolarHBondContact O-CD2 3.36Å; A89-Y93 PolarHBondContact O-N 2.99Å; A89-V96 HydrophobicContact CB-CG1 4.44Å; A89-P102 HydrophobicContact CB-CB 4.32Å; A89-P102 HydrophobicContact CB-CG 4.48Å; A89-V105 HydrophobicContact CB-CG2 4.48Å
90	L	60.2	Low	66.3	Low	115 Å²	115	79.9 Å²	79.9	60%	0.602	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-68	-10	169.9	-67.9	168.1	0	0	0	114.2	C88 V96	C88-L90 PolarHBondContact O-N 3.21Å; L90-V96 HydrophobicContact CD2-CG2 3.93Å; L90-V96 HydrophobicContact CG-CG2 4.45Å
91	E	68.8	Low	68.4	Low	158 Å²	158	80.7 Å²	80.7	74%	0.738	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-77.6	-28.6	175.2	-68.5	178.6	-162.8	0	0	112.5	C88 A89	C88-E91 HydrophobicContact CB-CG 3.99Å; C88-E91 WeakPolarHBondContact O-CB 3.36Å; C88-E91 PolarHBondContact O-N 3.03Å; A89-E91 PolarHBondContact O-N 2.94Å
92	E	80.7	Confident	70.8	Confident	100 Å²	100	76.5 Å²	76.5	47%	0.467	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-38.9	177.7	-68.1	-173.8	-178.1	0	0	113.5	A89 H106 Y119 V120	A89-E92 PolarHBondContact O-N 2.93Å; E92-H106 IonicContact OE2-CE1 3.36Å; E92-H106 PolarHBondContact OE2-CE1 2.76Å; E92-H106 IonicContact OE2-ND1 3.24Å; E92-Y119 WeakPolarHBondContact O-CA 3.4Å; E92-V120 PolarHBondContact O-N 3.5Å
93	Y	85.9	Confident	72.9	Confident	5 Å²	5	77.4 Å²	77.4	2%	0.02	45%	0.449	C	S	.	.	B	Isolated β-bridge	trans	-115.2	131.5	-172.2	-50.5	-90.4	0	0	0	111.7	A89 W95 V96 V105 H106 Y109 V117 P118 Y119	A89-Y93 WeakPolarHBondContact O-CD2 3.36Å; A89-Y93 PolarHBondContact O-N 2.99Å; Y93-W95 WeakPolarHBondContact CB-O 3.41Å; Y93-W95 PolarHBondContact O-N 3.25Å; Y93-V96 HydrophobicContact CD2-CG1 4.2Å; Y93-V96 HydrophobicContact CG-CG1 4.35Å; Y93-V105 HydrophobicContact CD2-CG1 4.04Å; Y93-V105 HydrophobicContact CE2-CG1 4.1Å; Y93-H106 PolarHBondContact OH-ND1 3.09Å; Y93-H106 VanDerWaalsContact OH-ND1 3.14Å; Y93-Y109 AromaticContact CD1-CD2 3.59Å; Y93-Y109 HydrophobicContact CD1-CD2 3.59Å; Y93-Y109 AromaticContact CD1-CE2 3.51Å; Y93-Y109 HydrophobicContact CD1-CE2 3.51Å; Y93-Y109 HydrophobicContact CD1-CG 4.36Å; Y93-Y109 HydrophobicContact CD2-CE2 4.37Å; Y93-Y109 AromaticContact CE1-CD2 3.5Å; Y93-Y109 HydrophobicContact CE1-CD2 3.5Å; Y93-Y109 AromaticContact CE1-CE2 3.95Å; Y93-Y109 HydrophobicContact CE1-CE2 3.95Å; Y93-Y109 HydrophobicContact CE1-CG 4.11Å; Y93-Y109 HydrophobicContact CG-CD2 4.17Å; Y93-Y109 AromaticContact CG-CE2 3.79Å; Y93-Y109 HydrophobicContact CG-CE2 3.79Å; Y93-V117 HydrophobicContact CD1-CG1 3.89Å; Y93-V117 HydrophobicContact CE1-CG1 3.66Å; Y93-P118 CarbonylContact C-O 3.57Å; Y93-P118 WeakPolarHBondContact CA-O 3.41Å; Y93-Y119 AromaticContact CD1-CD1 3.92Å; Y93-Y119 HydrophobicContact CD1-CD1 3.92Å; Y93-Y119 HydrophobicContact CD1-CE1 4.04Å; Y93-Y119 AromaticContact CE1-CD1 3.61Å; Y93-Y119 HydrophobicContact CE1-CD1 3.61Å; Y93-Y119 AromaticContact CE1-CE1 3.25Å; Y93-Y119 HydrophobicContact CE1-CE1 3.25Å; Y93-Y119 HydrophobicContact CE1-CG 4.49Å; Y93-Y119 AromaticContact CE1-CZ 3.89Å; Y93-Y119 AromaticContact CZ-CE1 3.66Å
94	A	85.6	Confident	75	Confident	29 Å²	29	71.1 Å²	71.1	24%	0.24	41%	0.414	C	S	.	.	S	Bend	trans	-65.4	-5.4	175.6	0	0	0	0	0	114.1	P118 V120 E125 R128	A94-P118 PolarHBondContact N-O 2.67Å; A94-V120 HydrophobicContact CB-CG2 4.3Å; A94-E125 HydrophobicContact CB-CB 4.29Å; A94-E125 VanDerWaalsContact CB-CD 3.5Å; A94-E125 HydrophobicContact CB-CG 3.79Å; A94-E125 VanDerWaalsContact CB-OE1 3.27Å; A94-E125 WeakPolarHBondContact CB-OE1 3.24Å; A94-R128 PolarHBondContact O-NH1 3.46Å; A94-R128 VanDerWaalsContact O-NH1 3.08Å
95	W	88.6	Confident	76.8	Confident	25 Å²	25	64.6 Å²	64.6	10%	0.095	38%	0.379	C	S	.	.			trans	-165.4	150.9	167.2	176.9	98	0	0	0	110.1	Y93 P97 Y109 D227 L228	Y93-W95 WeakPolarHBondContact CB-O 3.41Å; Y93-W95 PolarHBondContact O-N 3.25Å; W95-P97 HydrophobicContact CH2-CB 4.08Å; W95-P97 HydrophobicContact CH2-CG 3.89Å; W95-P97 HydrophobicContact CZ3-CB 4.4Å; W95-P97 HydrophobicContact CZ3-CG 3.75Å; W95-Y109 PolarHBondContact O-OH 3.2Å; W95-D227 VanDerWaalsContact CD1-OD2 3.22Å; W95-D227 VanDerWaalsContact CZ2-CA 3.43Å; W95-D227 HydrophobicContact CZ2-CB 3.82Å; W95-D227 WeakPolarHBondContact CZ2-O 3.35Å; W95-D227 VanDerWaalsContact NE1-CG 3.33Å; W95-D227 PolarHBondContact NE1-OD2 2.8Å; W95-D227 VanDerWaalsContact NE1-OD2 3.11Å; W95-L228 HydrophobicContact CH2-CD1 3.95Å; W95-L228 HydrophobicContact CH2-CG 3.96Å
96	V	89.3	Confident	78.6	Confident	29 Å²	29	61.2 Å²	61.2	18%	0.176	36%	0.359	C	S	.	.			trans	-134.7	151.1	172.5	-58.7	0	0	0	0	110.5	A89 L90 Y93 V105	A89-V96 HydrophobicContact CB-CG1 4.44Å; L90-V96 HydrophobicContact CD2-CG2 3.93Å; L90-V96 HydrophobicContact CG-CG2 4.45Å; Y93-V96 HydrophobicContact CD2-CG1 4.2Å; Y93-V96 HydrophobicContact CG-CG1 4.35Å; V96-V105 HydrophobicContact CB-CG1 4.15Å; V96-V105 HydrophobicContact CB-CG2 4.12Å; V96-V105 HydrophobicContact CG1-CG1 3.69Å; V96-V105 HydrophobicContact CG1-CG2 4.33Å
97	P	88.5	Confident	80.3	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.006	35%	0.348	C	S	.	.			trans	-62.1	133.5	171.6	-19	30.3	0	0	0	111.5	W95 L100 Y108 V174 L228	W95-P97 HydrophobicContact CH2-CB 4.08Å; W95-P97 HydrophobicContact CH2-CG 3.89Å; W95-P97 HydrophobicContact CZ3-CB 4.4Å; W95-P97 HydrophobicContact CZ3-CG 3.75Å; P97-L100 HydrophobicContact CB-CD1 3.78Å; P97-L100 HydrophobicContact CB-CG 4.23Å; P97-L100 HydrophobicContact CG-CD1 3.9Å; P97-Y108 HydrophobicContact CG-CD1 3.66Å; P97-Y108 HydrophobicContact CG-CD2 4.17Å; P97-Y108 HydrophobicContact CG-CE1 3.68Å; P97-Y108 HydrophobicContact CG-CE2 4.16Å; P97-Y108 HydrophobicContact CG-CG 3.92Å; P97-V174 HydrophobicContact CB-CB 4.06Å; P97-V174 HydrophobicContact CB-CG2 3.62Å; P97-V174 HydrophobicContact CG-CG2 4.16Å; P97-L228 HydrophobicContact CB-CD1 4.16Å
98	P	85.8	Confident	82.4	Confident	51 Å²	51	59.4 Å²	59.4	33%	0.331	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	138.3	-175.1	30.1	-35.7	0	0	0	111.9
99	G	82.9	Confident	84.3	Confident	81 Å²	81	56 Å²	56	84%	0.835	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.8	9.1	177.2	0	0	0	0	0	115.4
100	L	87.4	Confident	85.9	Confident	26 Å²	26	59.7 Å²	59.7	14%	0.136	33%	0.326	C	S	.	.			trans	-92.8	148.1	170.3	-64	-173.3	0	0	0	111.7	P97 Q104 V105 V174	P97-L100 HydrophobicContact CB-CD1 3.78Å; P97-L100 HydrophobicContact CB-CG 4.23Å; P97-L100 HydrophobicContact CG-CD1 3.9Å; L100-Q104 HydrophobicContact CB-CB 4.08Å; L100-Q104 HydrophobicContact CD2-CB 4.14Å; L100-Q104 HydrophobicContact CG-CB 4.48Å; L100-V105 HydrophobicContact CB-CG2 3.83Å; L100-V105 HydrophobicContact CD1-CG2 4.34Å; L100-V174 HydrophobicContact CD1-CB 4.13Å; L100-V174 HydrophobicContact CD1-CG1 3.92Å; L100-V174 HydrophobicContact CD2-CB 4.12Å; L100-V174 HydrophobicContact CD2-CG1 4.05Å; L100-V174 WeakPolarHBondContact CD2-O 3.43Å; L100-V174 HydrophobicContact CG-CB 4.3Å; L100-V174 HydrophobicContact CG-CG1 4.43Å
101	K	87.7	Confident	87.4	Confident	136 Å²	136	56.8 Å²	56.8	59%	0.591	31%	0.314	S	S	*	.			trans	-76.8	158.9	164.6	-60.7	-167.3	173	-160.5	0	111.3	E103 Q104 V105	K101-E103 VanDerWaalsContact C-N 3.3Å; K101-E103 VanDerWaalsContact CB-OE2 3.3Å; K101-E103 WeakPolarHBondContact CB-OE2 3.37Å; K101-E103 PolarHBondContact O-N 2.82Å; K101-Q104 HydrophobicContact CB-CG 4.29Å; K101-Q104 CarbonylContact O-C 3.52Å; K101-Q104 WeakPolarHBondContact O-CA 3.4Å; K101-Q104 WeakPolarHBondContact O-CB 3.39Å; K101-Q104 PolarHBondContact O-N 2.89Å; K101-V105 PolarHBondContact O-N 3.36Å
102	P	86.6	Confident	88.5	Confident	36 Å²	36	50.3 Å²	50.3	23%	0.234	29%	0.285	C	S	.	.	H	α-helix	trans	-51.2	-44.2	-179.8	-29.5	37.6	0	0	0	114	G87 A89 Q104 V105 H106	G87-P102 WeakPolarHBondContact O-CG 3.3Å; A89-P102 HydrophobicContact CB-CB 4.32Å; A89-P102 HydrophobicContact CB-CG 4.48Å; P102-Q104 PolarHBondContact O-N 3.44Å; P102-V105 WeakPolarHBondContact O-CB 3.43Å; P102-V105 PolarHBondContact O-N 2.84Å; P102-V105 VanDerWaalsContact O-N 3.08Å; P102-H106 PolarHBondContact O-CD2 2.92Å; P102-H106 PolarHBondContact O-N 2.99Å; P102-H106 VanDerWaalsContact O-N 3.16Å
103	E	87.1	Confident	89	Confident	119 Å²	119	49 Å²	49	56%	0.556	29%	0.285	S	S	*	.	H	α-helix	trans	-63.1	-33.8	178.9	-48.3	81.2	-179.8	0	0	112	K101 Q107	K101-E103 VanDerWaalsContact C-N 3.3Å; K101-E103 VanDerWaalsContact CB-OE2 3.3Å; K101-E103 WeakPolarHBondContact CB-OE2 3.37Å; K101-E103 PolarHBondContact O-N 2.82Å; E103-Q107 WeakPolarHBondContact O-CG 3.19Å; E103-Q107 PolarHBondContact O-N 2.98Å; E103-Q107 VanDerWaalsContact O-N 3.07Å
104	Q	90.9	Very high	89.2	Confident	44 Å²	44	56.3 Å²	56.3	21%	0.206	32%	0.319	C	S	.	.	H	α-helix	trans	-77	-26.7	177.6	-61	171.2	-21.3	0	0	112.2	L100 K101 P102 Q107 Y108 I198	L100-Q104 HydrophobicContact CB-CB 4.08Å; L100-Q104 HydrophobicContact CD2-CB 4.14Å; L100-Q104 HydrophobicContact CG-CB 4.48Å; K101-Q104 HydrophobicContact CB-CG 4.29Å; K101-Q104 CarbonylContact O-C 3.52Å; K101-Q104 WeakPolarHBondContact O-CA 3.4Å; K101-Q104 WeakPolarHBondContact O-CB 3.39Å; K101-Q104 PolarHBondContact O-N 2.89Å; P102-Q104 PolarHBondContact O-N 3.44Å; Q104-Q107 PolarHBondContact O-N 3.25Å; Q104-Y108 WeakPolarHBondContact O-CB 3.5Å; Q104-Y108 PolarHBondContact O-N 3Å; Q104-I198 HydrophobicContact CB-CD1 4.19Å; Q104-I198 HydrophobicContact CG-CD1 4.48Å
105	V	90.3	Very high	89.3	Confident	3 Å²	3	62.7 Å²	62.7	2%	0.018	34%	0.344	C	S	.	.	H	α-helix	trans	-66.4	-45	170.8	174.4	0	0	0	0	110.1	A89 Y93 V96 L100 K101 P102 Y108 Y109	A89-V105 HydrophobicContact CB-CG2 4.48Å; Y93-V105 HydrophobicContact CD2-CG1 4.04Å; Y93-V105 HydrophobicContact CE2-CG1 4.1Å; V96-V105 HydrophobicContact CB-CG1 4.15Å; V96-V105 HydrophobicContact CB-CG2 4.12Å; V96-V105 HydrophobicContact CG1-CG1 3.69Å; V96-V105 HydrophobicContact CG1-CG2 4.33Å; L100-V105 HydrophobicContact CB-CG2 3.83Å; L100-V105 HydrophobicContact CD1-CG2 4.34Å; K101-V105 PolarHBondContact O-N 3.36Å; P102-V105 WeakPolarHBondContact O-CB 3.43Å; P102-V105 PolarHBondContact O-N 2.84Å; P102-V105 VanDerWaalsContact O-N 3.08Å; V105-Y108 PolarHBondContact O-N 2.88Å; V105-Y109 HydrophobicContact CG1-CD2 3.72Å; V105-Y109 HydrophobicContact CG1-CE2 3.7Å; V105-Y109 WeakPolarHBondContact O-CD2 3.29Å; V105-Y109 PolarHBondContact O-N 3.46Å
106	H	89.8	Confident	89.4	Confident	83 Å²	83	64.3 Å²	64.3	38%	0.384	35%	0.352	S	S	.	.	H	α-helix	trans	-62.4	-42.5	173.1	-61.9	-76.2	0	0	0	111.9	E92 Y93 P102 Y108 Y109 S110	E92-H106 IonicContact OE2-CE1 3.36Å; E92-H106 PolarHBondContact OE2-CE1 2.76Å; E92-H106 IonicContact OE2-ND1 3.24Å; Y93-H106 PolarHBondContact OH-ND1 3.09Å; Y93-H106 VanDerWaalsContact OH-ND1 3.14Å; P102-H106 PolarHBondContact O-CD2 2.92Å; P102-H106 PolarHBondContact O-N 2.99Å; P102-H106 VanDerWaalsContact O-N 3.16Å; H106-Y108 PolarHBondContact O-N 2.99Å; H106-Y109 PolarHBondContact O-N 3.39Å; H106-S110 WeakPolarHBondContact O-CB 3.23Å; H106-S110 PolarHBondContact O-N 3.23Å; H106-S110 PolarHBondContact O-OG 3.16Å
107	Q	90.9	Very high	89.5	Confident	91 Å²	91	63.1 Å²	63.1	43%	0.425	34%	0.344	S	S	.	.	H	α-helix	trans	-59.5	-43.7	174.2	-72.9	173.3	-13.5	0	0	112.1	E103 Q104 S110 C111 I198	E103-Q107 WeakPolarHBondContact O-CG 3.19Å; E103-Q107 PolarHBondContact O-N 2.98Å; E103-Q107 VanDerWaalsContact O-N 3.07Å; Q104-Q107 PolarHBondContact O-N 3.25Å; Q107-S110 PolarHBondContact O-N 3.09Å; Q107-S110 PolarHBondContact O-OG 3.26Å; Q107-C111 PolarHBondContact O-SG 2.8Å; Q107-I198 HydrophobicContact CB-CD1 4.37Å; Q107-I198 HydrophobicContact CB-CG1 3.71Å
108	Y	92.7	Very high	89.6	Confident	15 Å²	15	63.3 Å²	63.3	6%	0.059	35%	0.346	C	S	.	.	H	α-helix	trans	-59.7	-48.1	175.5	174.2	-93.8	0	0	0	111.9	P97 Q104 V105 H106 C111 L112 V174 I198 V200 P213	P97-Y108 HydrophobicContact CG-CD1 3.66Å; P97-Y108 HydrophobicContact CG-CD2 4.17Å; P97-Y108 HydrophobicContact CG-CE1 3.68Å; P97-Y108 HydrophobicContact CG-CE2 4.16Å; P97-Y108 HydrophobicContact CG-CG 3.92Å; Q104-Y108 WeakPolarHBondContact O-CB 3.5Å; Q104-Y108 PolarHBondContact O-N 3Å; V105-Y108 PolarHBondContact O-N 2.88Å; H106-Y108 PolarHBondContact O-N 2.99Å; Y108-C111 WeakPolarHBondContact O-CB 3.48Å; Y108-C111 PolarHBondContact O-N 3.44Å; Y108-L112 HydrophobicContact CE1-CD1 3.88Å; Y108-V174 HydrophobicContact CD2-CG1 3.78Å; Y108-V174 HydrophobicContact CD2-CG2 4.28Å; Y108-V174 HydrophobicContact CE2-CG1 4.31Å; Y108-V174 HydrophobicContact CE2-CG2 4.04Å; Y108-I198 HydrophobicContact CD2-CG2 4.02Å; Y108-V200 HydrophobicContact CE2-CG2 4.41Å; Y108-P213 HydrophobicContact CD2-CB 3.9Å; Y108-P213 HydrophobicContact CD2-CG 3.79Å; Y108-P213 HydrophobicContact CE2-CB 3.68Å; Y108-P213 HydrophobicContact CE2-CG 3.99Å
109	Y	93.3	Very high	89.8	Confident	9 Å²	9	65.1 Å²	65.1	4%	0.035	35%	0.347	C	S	.	.	H	α-helix	trans	-73.1	-29.7	-178.5	-75.6	-55.2	0	0	0	114.1	Y93 W95 V105 H106 C111 L112 V117 P118	Y93-Y109 AromaticContact CD1-CD2 3.59Å; Y93-Y109 HydrophobicContact CD1-CD2 3.59Å; Y93-Y109 AromaticContact CD1-CE2 3.51Å; Y93-Y109 HydrophobicContact CD1-CE2 3.51Å; Y93-Y109 HydrophobicContact CD1-CG 4.36Å; Y93-Y109 HydrophobicContact CD2-CE2 4.37Å; Y93-Y109 AromaticContact CE1-CD2 3.5Å; Y93-Y109 HydrophobicContact CE1-CD2 3.5Å; Y93-Y109 AromaticContact CE1-CE2 3.95Å; Y93-Y109 HydrophobicContact CE1-CE2 3.95Å; Y93-Y109 HydrophobicContact CE1-CG 4.11Å; Y93-Y109 HydrophobicContact CG-CD2 4.17Å; Y93-Y109 AromaticContact CG-CE2 3.79Å; Y93-Y109 HydrophobicContact CG-CE2 3.79Å; W95-Y109 PolarHBondContact O-OH 3.2Å; V105-Y109 HydrophobicContact CG1-CD2 3.72Å; V105-Y109 HydrophobicContact CG1-CE2 3.7Å; V105-Y109 WeakPolarHBondContact O-CD2 3.29Å; V105-Y109 PolarHBondContact O-N 3.46Å; H106-Y109 PolarHBondContact O-N 3.39Å; Y109-C111 PolarHBondContact O-N 2.79Å; Y109-C111 VanDerWaalsContact O-N 3.12Å; Y109-L112 HydrophobicContact CD1-CD1 4.05Å; Y109-L112 HydrophobicContact CE1-CD1 4.32Å; Y109-L112 PolarHBondContact O-N 2.8Å; Y109-V117 HydrophobicContact CD1-CB 4.37Å; Y109-V117 HydrophobicContact CD1-CG1 3.8Å; Y109-V117 HydrophobicContact CD1-CG2 4.12Å; Y109-V117 HydrophobicContact CD2-CG1 4.41Å; Y109-V117 HydrophobicContact CE1-CG1 4.4Å; Y109-V117 HydrophobicContact CG-CG1 3.84Å; Y109-V117 HydrophobicContact CG-CG2 4.49Å; Y109-P118 HydrophobicContact CE1-CG 4.03Å; Y109-P118 WeakPolarHBondContact OH-CG 3.43Å
110	S	91.9	Very high	89.9	Confident	98 Å²	98	64.5 Å²	64.5	69%	0.685	33%	0.326	S	S	*	.	H	α-helix	trans	-62.7	-16.1	171.7	73.3	0	0	0	0	113.7	H106 Q107 L112	H106-S110 WeakPolarHBondContact O-CB 3.23Å; H106-S110 PolarHBondContact O-N 3.23Å; H106-S110 PolarHBondContact O-OG 3.16Å; Q107-S110 PolarHBondContact O-N 3.09Å; Q107-S110 PolarHBondContact O-OG 3.26Å; S110-L112 VanDerWaalsContact C-N 3.33Å
111	C	91.1	Very high	89.7	Confident	54 Å²	54	69.5 Å²	69.5	37%	0.365	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-2.6	174.1	-59.2	0	0	0	0	113.4	Q107 Y108 Y109 P213 P214	Q107-C111 PolarHBondContact O-SG 2.8Å; Y108-C111 WeakPolarHBondContact O-CB 3.48Å; Y108-C111 PolarHBondContact O-N 3.44Å; Y109-C111 PolarHBondContact O-N 2.79Å; Y109-C111 VanDerWaalsContact O-N 3.12Å; C111-P213 HydrophobicContact CB-CB 3.98Å; C111-P213 HydrophobicContact CB-CG 4.03Å; C111-P214 WeakPolarHBondContact O-CD 3.5Å; C111-P214 WeakPolarHBondContact O-CG 3.29Å
112	L	91.6	Very high	89.7	Confident	21 Å²	21	63.9 Å²	63.9	11%	0.11	33%	0.331	C	S	.	.	S	Bend	trans	-118.4	154.6	-176.1	-59.3	-177.1	0	0	0	111.1	Y108 Y109 S110 P213 P214 L224	Y108-L112 HydrophobicContact CE1-CD1 3.88Å; Y109-L112 HydrophobicContact CD1-CD1 4.05Å; Y109-L112 HydrophobicContact CE1-CD1 4.32Å; Y109-L112 PolarHBondContact O-N 2.8Å; S110-L112 VanDerWaalsContact C-N 3.33Å; L112-P213 HydrophobicContact CD2-CB 4.13Å; L112-P214 HydrophobicContact CD2-CB 4.06Å; L112-L224 HydrophobicContact CD2-CD1 4.04Å; L112-L224 HydrophobicContact CD2-CD2 4.37Å
113	P	91.2	Very high	89.7	Confident	72 Å²	72	67.1 Å²	67.1	47%	0.468	35%	0.352	S	S	.	.			trans	-63.2	136.9	172.7	-18.4	31.5	0	0	0	111	E115 K116 V117	P113-E115 VanDerWaalsContact C-N 3.25Å; P113-E115 PolarHBondContact O-N 2.76Å; P113-K116 HydrophobicContact CB-CG 4.45Å; P113-K116 WeakPolarHBondContact O-CA 3.42Å; P113-K116 PolarHBondContact O-N 3.24Å; P113-V117 PolarHBondContact O-N 3.05Å
114	E	89.7	Confident	89.7	Confident	160 Å²	160	61.6 Å²	61.6	75%	0.748	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-53.1	-40.3	-177.2	-169.7	177.3	174.3	0	0	112.9	K116 V117	E114-K116 PolarHBondContact O-N 3.48Å; E114-K116 VanDerWaalsContact O-N 3.08Å; E114-V117 WeakPolarHBondContact O-CB 3.1Å; E114-V117 PolarHBondContact O-N 2.99Å
115	E	89.2	Confident	89.5	Confident	163 Å²	163	61.6 Å²	61.6	76%	0.762	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-57	-22.6	174.2	-60.8	176.3	-177.1	0	0	114.4	P113 G124	P113-E115 VanDerWaalsContact C-N 3.25Å; P113-E115 PolarHBondContact O-N 2.76Å; E115-G124 WeakPolarHBondContact O-CA 3.2Å
116	K	89.2	Confident	89.2	Confident	58 Å²	58	65.5 Å²	65.5	25%	0.252	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-102.7	0.4	178.9	-54.8	-156.6	170.8	-176	0	113.3	P113 E114 L127 E223 L224	P113-K116 HydrophobicContact CB-CG 4.45Å; P113-K116 WeakPolarHBondContact O-CA 3.42Å; P113-K116 PolarHBondContact O-N 3.24Å; E114-K116 PolarHBondContact O-N 3.48Å; E114-K116 VanDerWaalsContact O-N 3.08Å; K116-L127 HydrophobicContact CB-CD2 4.17Å; K116-L127 HydrophobicContact CD-CD2 4.16Å; K116-L127 HydrophobicContact CG-CD2 3.66Å; K116-E223 IonicContact NZ-OE1 2.81Å; K116-E223 PolarHBondContact NZ-OE1 3.18Å; K116-E223 IonicContact NZ-OE2 3.7Å; K116-E223 PolarHBondContact NZ-OE2 2.93Å; K116-L224 HydrophobicContact CD-CD1 3.99Å
117	V	92	Very high	89.1	Confident	4 Å²	4	64.4 Å²	64.4	2%	0.024	34%	0.34	C	S	.	.	S	Bend	trans	-82.9	122.9	177.7	-179.7	0	0	0	0	109.8	Y93 Y109 P113 E114 Y119 G124	Y93-V117 HydrophobicContact CD1-CG1 3.89Å; Y93-V117 HydrophobicContact CE1-CG1 3.66Å; Y109-V117 HydrophobicContact CD1-CB 4.37Å; Y109-V117 HydrophobicContact CD1-CG1 3.8Å; Y109-V117 HydrophobicContact CD1-CG2 4.12Å; Y109-V117 HydrophobicContact CD2-CG1 4.41Å; Y109-V117 HydrophobicContact CE1-CG1 4.4Å; Y109-V117 HydrophobicContact CG-CG1 3.84Å; Y109-V117 HydrophobicContact CG-CG2 4.49Å; P113-V117 PolarHBondContact O-N 3.05Å; E114-V117 WeakPolarHBondContact O-CB 3.1Å; E114-V117 PolarHBondContact O-N 2.99Å; V117-Y119 VanDerWaalsContact C-N 3.25Å; V117-Y119 HydrophobicContact CB-CD2 3.98Å; V117-Y119 HydrophobicContact CB-CE2 3.65Å; V117-Y119 HydrophobicContact CG1-CD1 4.42Å; V117-Y119 HydrophobicContact CG1-CD2 3.68Å; V117-Y119 HydrophobicContact CG1-CE1 4.14Å; V117-Y119 HydrophobicContact CG1-CE2 3.33Å; V117-Y119 HydrophobicContact CG1-CG 4.21Å; V117-Y119 PolarHBondContact O-N 3.22Å; V117-G124 WeakPolarHBondContact O-CA 3.22Å
118	P	90.2	Very high	89.1	Confident	6 Å²	6	61.9 Å²	61.9	4%	0.039	33%	0.327	C	S	.	.			trans	-84.3	59.4	-171.7	36.5	-37	0	0	0	112.3	Y93 A94 Y109 R128	Y93-P118 CarbonylContact C-O 3.57Å; Y93-P118 WeakPolarHBondContact CA-O 3.41Å; A94-P118 PolarHBondContact N-O 2.67Å; Y109-P118 HydrophobicContact CE1-CG 4.03Å; Y109-P118 WeakPolarHBondContact OH-CG 3.43Å; P118-R128 HydrophobicContact CB-CB 4.23Å
119	Y	89.7	Confident	88.7	Confident	89 Å²	89	61.9 Å²	61.9	35%	0.349	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-59.8	145.4	168.7	-63.3	-74.4	0	0	0	110.7	E92 Y93 V117 N121 S122 E125	E92-Y119 WeakPolarHBondContact O-CA 3.4Å; Y93-Y119 AromaticContact CD1-CD1 3.92Å; Y93-Y119 HydrophobicContact CD1-CD1 3.92Å; Y93-Y119 HydrophobicContact CD1-CE1 4.04Å; Y93-Y119 AromaticContact CE1-CD1 3.61Å; Y93-Y119 HydrophobicContact CE1-CD1 3.61Å; Y93-Y119 AromaticContact CE1-CE1 3.25Å; Y93-Y119 HydrophobicContact CE1-CE1 3.25Å; Y93-Y119 HydrophobicContact CE1-CG 4.49Å; Y93-Y119 AromaticContact CE1-CZ 3.89Å; Y93-Y119 AromaticContact CZ-CE1 3.66Å; V117-Y119 VanDerWaalsContact C-N 3.25Å; V117-Y119 HydrophobicContact CB-CD2 3.98Å; V117-Y119 HydrophobicContact CB-CE2 3.65Å; V117-Y119 HydrophobicContact CG1-CD1 4.42Å; V117-Y119 HydrophobicContact CG1-CD2 3.68Å; V117-Y119 HydrophobicContact CG1-CE1 4.14Å; V117-Y119 HydrophobicContact CG1-CE2 3.33Å; V117-Y119 HydrophobicContact CG1-CG 4.21Å; V117-Y119 PolarHBondContact O-N 3.22Å; Y119-N121 PolarHBondContact O-N 3.12Å; Y119-S122 PolarHBondContact N-OG 3.3Å; Y119-S122 WeakPolarHBondContact O-CB 2.88Å; Y119-S122 PolarHBondContact O-N 3.37Å; Y119-S122 VanDerWaalsContact O-N 3.1Å; Y119-S122 PolarHBondContact O-OG 2.93Å; Y119-E125 WeakPolarHBondContact O-CB 3.47Å
120	V	86.4	Confident	88.3	Confident	67 Å²	67	64.6 Å²	64.6	41%	0.406	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	132.7	-177.7	179.1	0	0	0	0	111.5	E92 A94 S122	E92-V120 PolarHBondContact O-N 3.5Å; A94-V120 HydrophobicContact CB-CG2 4.3Å; V120-S122 PolarHBondContact O-N 2.7Å
121	N	82.4	Confident	88.2	Confident	131 Å²	131	61.1 Å²	61.1	70%	0.701	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	2.9	-172.8	-63.1	-68.5	0	0	0	116.9	Y119 E125	Y119-N121 PolarHBondContact O-N 3.12Å; N121-E125 VanDerWaalsContact CA-OE2 3.3Å; N121-E125 WeakPolarHBondContact CA-OE2 3.43Å; N121-E125 PolarHBondContact N-OE2 3.3Å
122	S	87.4	Confident	88.1	Confident	19 Å²	19	59 Å²	59	13%	0.133	30%	0.298	C	S	.	.	S	Bend	trans	-78.2	171.2	-172	75.3	0	0	0	0	114.9	Y119 V120 G124 E125 K126	Y119-S122 PolarHBondContact N-OG 3.3Å; Y119-S122 WeakPolarHBondContact O-CB 2.88Å; Y119-S122 PolarHBondContact O-N 3.37Å; Y119-S122 VanDerWaalsContact O-N 3.1Å; Y119-S122 PolarHBondContact O-OG 2.93Å; V120-S122 PolarHBondContact O-N 2.7Å; S122-G124 VanDerWaalsContact C-N 3.26Å; S122-G124 PolarHBondContact O-N 2.67Å; S122-G124 PolarHBondContact OG-N 3.36Å; S122-E125 PolarHBondContact O-N 2.65Å; S122-E125 PolarHBondContact OG-N 2.93Å; S122-E125 VanDerWaalsContact OG-N 3.12Å; S122-K126 PolarHBondContact O-N 2.98Å
123	P	86.8	Confident	87.8	Confident	104 Å²	104	59.6 Å²	59.6	68%	0.675	30%	0.301	S	S	*	.	H	α-helix	trans	-58.7	-35.5	165.4	-23.8	35.7	0	0	0	113.2	K126 L127	P123-K126 WeakPolarHBondContact O-CB 3.47Å; P123-K126 PolarHBondContact O-N 3.21Å; P123-L127 PolarHBondContact O-N 3.18Å
124	G	87.6	Confident	87.8	Confident	3 Å²	3	58.9 Å²	58.9	3%	0.031	29%	0.291	C	S	.	.	H	α-helix	trans	-70	-31.9	-179.8	0	0	0	0	0	113.6	E115 V117 S122 L127 R128	E115-G124 WeakPolarHBondContact O-CA 3.2Å; V117-G124 WeakPolarHBondContact O-CA 3.22Å; S122-G124 VanDerWaalsContact C-N 3.26Å; S122-G124 PolarHBondContact O-N 2.67Å; S122-G124 PolarHBondContact OG-N 3.36Å; G124-L127 PolarHBondContact O-N 3Å; G124-R128 WeakPolarHBondContact O-CB 3.2Å; G124-R128 PolarHBondContact O-N 3.42Å
125	E	87.2	Confident	87.9	Confident	43 Å²	43	51.4 Å²	51.4	20%	0.201	26%	0.257	C	S	.	.	H	α-helix	trans	-64.4	-45.2	169.5	177.1	177.8	-155.5	0	0	110.9	A94 Y119 N121 S122 L127 R128 I129	A94-E125 HydrophobicContact CB-CB 4.29Å; A94-E125 VanDerWaalsContact CB-CD 3.5Å; A94-E125 HydrophobicContact CB-CG 3.79Å; A94-E125 VanDerWaalsContact CB-OE1 3.27Å; A94-E125 WeakPolarHBondContact CB-OE1 3.24Å; Y119-E125 WeakPolarHBondContact O-CB 3.47Å; N121-E125 VanDerWaalsContact CA-OE2 3.3Å; N121-E125 WeakPolarHBondContact CA-OE2 3.43Å; N121-E125 PolarHBondContact N-OE2 3.3Å; S122-E125 PolarHBondContact O-N 2.65Å; S122-E125 PolarHBondContact OG-N 2.93Å; S122-E125 VanDerWaalsContact OG-N 3.12Å; E125-L127 VanDerWaalsContact C-N 3.29Å; E125-L127 PolarHBondContact O-N 2.97Å; E125-R128 WeakPolarHBondContact O-CB 3.38Å; E125-R128 PolarHBondContact O-N 3.5Å; E125-I129 HydrophobicContact CG-CD1 4Å; E125-I129 WeakPolarHBondContact O-CG1 3.37Å; E125-I129 PolarHBondContact O-N 3.09Å
126	K	83.6	Confident	88.1	Confident	86 Å²	86	43.8 Å²	43.8	37%	0.374	22%	0.221	S	C	.	.	H	α-helix	trans	-62.7	-37.7	177	-65.8	161.7	-173	158.2	0	111.3	S122 P123 I129 K130	S122-K126 PolarHBondContact O-N 2.98Å; P123-K126 WeakPolarHBondContact O-CB 3.47Å; P123-K126 PolarHBondContact O-N 3.21Å; K126-I129 PolarHBondContact O-N 2.85Å; K126-K130 PolarHBondContact O-N 2.98Å
127	L	87.7	Confident	88.1	Confident	59 Å²	59	41.1 Å²	41.1	31%	0.309	21%	0.21	S	C	.	.	H	α-helix	trans	-64.6	-46.2	172.7	-172.9	71.1	0	0	0	111.5	K116 P123 G124 E125 I129 K130 Q131	K116-L127 HydrophobicContact CB-CD2 4.17Å; K116-L127 HydrophobicContact CD-CD2 4.16Å; K116-L127 HydrophobicContact CG-CD2 3.66Å; P123-L127 PolarHBondContact O-N 3.18Å; G124-L127 PolarHBondContact O-N 3Å; E125-L127 VanDerWaalsContact C-N 3.29Å; E125-L127 PolarHBondContact O-N 2.97Å; L127-I129 VanDerWaalsContact C-N 3.33Å; L127-I129 PolarHBondContact O-N 3.12Å; L127-K130 PolarHBondContact O-N 3.25Å; L127-Q131 WeakPolarHBondContact O-CB 3.38Å; L127-Q131 WeakPolarHBondContact O-CG 3.22Å; L127-Q131 PolarHBondContact O-N 2.8Å
128	R	89.2	Confident	87.8	Confident	39 Å²	39	41.4 Å²	41.4	15%	0.147	21%	0.212	C	C	.	.	H	α-helix	trans	-56.7	-45.7	174.4	174.5	-178	163.6	-109.8	-7.8	111.2	A94 P118 G124 E125 Q131 L132 V226 D227	A94-R128 PolarHBondContact O-NH1 3.46Å; A94-R128 VanDerWaalsContact O-NH1 3.08Å; P118-R128 HydrophobicContact CB-CB 4.23Å; G124-R128 WeakPolarHBondContact O-CB 3.2Å; G124-R128 PolarHBondContact O-N 3.42Å; E125-R128 WeakPolarHBondContact O-CB 3.38Å; E125-R128 PolarHBondContact O-N 3.5Å; R128-Q131 PolarHBondContact O-N 2.85Å; R128-L132 VanDerWaalsContact O-CB 3.29Å; R128-L132 WeakPolarHBondContact O-CB 3.41Å; R128-L132 PolarHBondContact O-N 3.08Å; R128-V226 HydrophobicContact CG-CG2 4.17Å; R128-D227 IonicContact CZ-OD1 3.2Å; R128-D227 IonicContact CZ-OD2 2.73Å; R128-D227 IonicContact NE-OD1 3.83Å; R128-D227 PolarHBondContact NE-OD1 2.9Å; R128-D227 IonicContact NE-OD2 3.35Å; R128-D227 IonicContact NH2-OD1 2.67Å; R128-D227 PolarHBondContact NH2-OD1 2.77Å; R128-D227 IonicContact NH2-OD2 3.84Å; R128-D227 PolarHBondContact NH2-OD2 3.01Å
129	I	84.7	Confident	87.7	Confident	15 Å²	15	42 Å²	42	8%	0.077	21%	0.214	C	C	.	.	H	α-helix	trans	-63.8	-43.2	178	-67.3	167.6	0	0	0	111.3	V58 M61 E125 K126 L127 L132 L133	V58-I129 HydrophobicContact CB-CG2 4.23Å; V58-I129 HydrophobicContact CG1-CG2 3.57Å; M61-I129 HydrophobicContact CB-CG2 4.15Å; E125-I129 HydrophobicContact CG-CD1 4Å; E125-I129 WeakPolarHBondContact O-CG1 3.37Å; E125-I129 PolarHBondContact O-N 3.09Å; K126-I129 PolarHBondContact O-N 2.85Å; L127-I129 VanDerWaalsContact C-N 3.33Å; L127-I129 PolarHBondContact O-N 3.12Å; I129-L132 PolarHBondContact O-N 3.16Å; I129-L133 PolarHBondContact O-N 3.31Å; I129-L133 VanDerWaalsContact O-N 3.1Å
130	K	85.5	Confident	87.8	Confident	65 Å²	65	37.8 Å²	37.8	28%	0.283	20%	0.197	S	C	.	.	H	α-helix	trans	-60.7	-45.7	174	-179.4	165.4	177.7	155.2	0	111.5	E54 E55 K126 L127 L132 H134	E54-K130 HydrophobicContact CB-CD 4.47Å; E54-K130 PolarHBondContact O-NZ 3.45Å; E54-K130 WeakPolarHBondContact OE2-CE 3.38Å; E54-K130 IonicContact OE2-NZ 3.04Å; E55-K130 IonicContact OE1-NZ 3.52Å; E55-K130 PolarHBondContact OE1-NZ 2.88Å; K126-K130 PolarHBondContact O-N 2.98Å; L127-K130 PolarHBondContact O-N 3.25Å; K130-L132 VanDerWaalsContact C-N 3.34Å; K130-L132 PolarHBondContact O-N 3.08Å; K130-H134 VanDerWaalsContact O-CB 3.29Å; K130-H134 WeakPolarHBondContact O-CB 3.25Å; K130-H134 PolarHBondContact O-N 3.01Å
131	Q	90.2	Very high	87.9	Confident	26 Å²	26	35.5 Å²	35.5	12%	0.121	18%	0.183	C	C	.	.	H	α-helix	trans	-61.9	-39.6	174.2	-74.7	-174.8	-19.2	0	0	112.1	L127 R128 H134 Q135 E223 V226	L127-Q131 WeakPolarHBondContact O-CB 3.38Å; L127-Q131 WeakPolarHBondContact O-CG 3.22Å; L127-Q131 PolarHBondContact O-N 2.8Å; R128-Q131 PolarHBondContact O-N 2.85Å; Q131-H134 PolarHBondContact O-N 3.28Å; Q131-Q135 WeakPolarHBondContact O-CB 3.39Å; Q131-Q135 VanDerWaalsContact O-CG 3.29Å; Q131-Q135 WeakPolarHBondContact O-CG 3.39Å; Q131-Q135 PolarHBondContact O-N 3.29Å; Q131-E223 PolarHBondContact NE2-OE2 2.62Å; Q131-V226 HydrophobicContact CB-CB 4.24Å; Q131-V226 HydrophobicContact CB-CG2 4.11Å
132	L	88.7	Confident	88.1	Confident	8 Å²	8	31.3 Å²	31.3	4%	0.042	16%	0.159	C	C	.	.	H	α-helix	trans	-62.7	-46.6	-178.6	-165.9	62.1	0	0	0	111.5	M61 I69 R128 I129 K130 L136 V226	M61-L132 HydrophobicContact CE-CD2 3.69Å; M61-L132 HydrophobicContact CE-CG 4.49Å; M61-L132 HydrophobicContact SD-CD2 3.97Å; M61-L132 HydrophobicContact SD-CG 4.39Å; I69-L132 HydrophobicContact CD1-CG 4.13Å; I69-L132 HydrophobicContact CG2-CD1 3.77Å; I69-L132 HydrophobicContact CG2-CD2 4.11Å; I69-L132 HydrophobicContact CG2-CG 3.96Å; R128-L132 VanDerWaalsContact O-CB 3.29Å; R128-L132 WeakPolarHBondContact O-CB 3.41Å; R128-L132 PolarHBondContact O-N 3.08Å; I129-L132 PolarHBondContact O-N 3.16Å; K130-L132 VanDerWaalsContact C-N 3.34Å; K130-L132 PolarHBondContact O-N 3.08Å; L132-L136 HydrophobicContact CD1-CD1 4.09Å; L132-L136 WeakPolarHBondContact O-CB 3.42Å; L132-L136 PolarHBondContact O-N 2.78Å; L132-V226 HydrophobicContact CB-CG2 4.05Å; L132-V226 HydrophobicContact CD1-CB 4.49Å; L132-V226 HydrophobicContact CD1-CG1 3.82Å; L132-V226 HydrophobicContact CD1-CG2 3.88Å
133	L	86.3	Confident	88.1	Confident	35 Å²	35	32.2 Å²	32.2	18%	0.183	16%	0.163	C	C	.	.	H	α-helix	trans	-66.5	-42.9	174.7	-68.8	-175	0	0	0	113.2	V58 M61 M65 I69 I129	V58-L133 HydrophobicContact CB-CD1 4.31Å; V58-L133 HydrophobicContact CG1-CD1 3.67Å; V58-L133 HydrophobicContact CG2-CD1 3.97Å; M61-L133 HydrophobicContact CG-CD2 3.89Å; M61-L133 HydrophobicContact CG-CG 4.44Å; M61-L133 HydrophobicContact SD-CD2 3.47Å; M61-L133 WeakPolarHBondContact SD-CD2 3.48Å; M61-L133 HydrophobicContact SD-CG 3.97Å; M65-L133 HydrophobicContact CG-CD2 4.27Å; M65-L133 HydrophobicContact SD-CD2 3.34Å; M65-L133 WeakPolarHBondContact SD-CD2 3.44Å; I69-L133 HydrophobicContact CD1-CD2 4.44Å; I129-L133 PolarHBondContact O-N 3.31Å; I129-L133 VanDerWaalsContact O-N 3.1Å
134	H	89.6	Confident	88.1	Confident	56 Å²	56	34.2 Å²	34.2	26%	0.259	16%	0.157	S	C	.	.	H	α-helix	trans	-70.4	-41.7	-177.6	-173.7	92.6	0	0	0	112.1	E54 K130 Q131 R241	E54-H134 IonicContact OE1-CE1 3.21Å; E54-H134 IonicContact OE1-CG 3.56Å; E54-H134 IonicContact OE1-ND1 3.85Å; E54-H134 PolarHBondContact OE1-ND1 3.49Å; E54-H134 IonicContact OE2-ND1 3.98Å; K130-H134 VanDerWaalsContact O-CB 3.29Å; K130-H134 WeakPolarHBondContact O-CB 3.25Å; K130-H134 PolarHBondContact O-N 3.01Å; Q131-H134 PolarHBondContact O-N 3.28Å; H134-R241 WeakPolarHBondContact NE2-CD 3.42Å; H134-R241 VanDerWaalsContact O-CB 3.3Å; H134-R241 WeakPolarHBondContact O-CB 3.47Å; H134-R241 WeakPolarHBondContact O-CD 3.47Å
135	Q	93.4	Very high	87.9	Confident	4 Å²	4	34.7 Å²	34.7	2%	0.019	16%	0.159	C	C	.	.	H	α-helix	trans	-83.6	-27.9	-176.3	-70	-170.2	33.6	0	0	113.7	Q131 L224 V226 C239 G240 R241	Q131-Q135 WeakPolarHBondContact O-CB 3.39Å; Q131-Q135 VanDerWaalsContact O-CG 3.29Å; Q131-Q135 WeakPolarHBondContact O-CG 3.39Å; Q131-Q135 PolarHBondContact O-N 3.29Å; Q135-L224 PolarHBondContact NE2-O 3.4Å; Q135-L224 PolarHBondContact OE1-O 3.01Å; Q135-V226 HydrophobicContact CB-CG1 3.85Å; Q135-V226 HydrophobicContact CG-CG1 4.4Å; Q135-V226 VanDerWaalsContact OE1-N 3.15Å; Q135-C239 HydrophobicContact CB-CB 3.83Å; Q135-C239 HydrophobicContact CG-CB 3.85Å; Q135-G240 CarbonylContact O-C 3.31Å; Q135-G240 WeakPolarHBondContact O-CA 3.34Å; Q135-G240 PolarHBondContact O-N 3.48Å; Q135-R241 PolarHBondContact O-N 3.22Å
136	L	91.6	Very high	87.8	Confident	3 Å²	3	33.7 Å²	33.7	2%	0.016	16%	0.156	C	C	.	.	S	Bend	trans	-126.8	67.6	177.9	-58.6	176.2	0	0	0	111	I69 L132 V226 I229 F231	I69-L136 HydrophobicContact CG2-CD1 4.28Å; L132-L136 HydrophobicContact CD1-CD1 4.09Å; L132-L136 WeakPolarHBondContact O-CB 3.42Å; L132-L136 PolarHBondContact O-N 2.78Å; L136-V226 HydrophobicContact CD1-CG1 4.42Å; L136-I229 HydrophobicContact CD1-CB 4.08Å; L136-I229 HydrophobicContact CD1-CD1 3.49Å; L136-I229 VanDerWaalsContact CD1-CD1 3.49Å; L136-I229 HydrophobicContact CD1-CG1 4.38Å; L136-I229 HydrophobicContact CD1-CG2 3.88Å; L136-I229 HydrophobicContact CD2-CG2 4Å; L136-F231 HydrophobicContact CD2-CE2 4.04Å
137	P	89.8	Confident	87.8	Confident	2 Å²	2	31.6 Å²	31.6	1%	0.013	15%	0.149	C	C	.	.			trans	-57.5	129.9	-177.6	-22.6	33.2	0	0	0	111.4	H139 D140 N141 R241	P137-H139 VanDerWaalsContact C-N 3.25Å; P137-H139 PolarHBondContact O-N 3.45Å; P137-D140 HydrophobicContact CB-CB 4.38Å; P137-D140 WeakPolarHBondContact O-CB 3.34Å; P137-D140 PolarHBondContact O-N 2.92Å; P137-D140 VanDerWaalsContact O-N 3.13Å; P137-N141 PolarHBondContact O-ND2 3.47Å; P137-R241 HydrophobicContact CG-CB 4.28Å; P137-R241 HydrophobicContact CG-CG 4.37Å
138	P	86.6	Confident	87.1	Confident	10 Å²	10	34.4 Å²	34.4	7%	0.065	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-69.5	-26.5	-175.7	28.9	-36.6	0	0	0	111.8	M65 D140 N141 E142 Y145	M65-P138 HydrophobicContact CE-CG 3.91Å; M65-P138 HydrophobicContact CG-CB 4.04Å; M65-P138 HydrophobicContact CG-CG 3.97Å; M65-P138 HydrophobicContact SD-CG 3.88Å; P138-D140 VanDerWaalsContact C-N 3.35Å; P138-N141 WeakPolarHBondContact O-CB 3.36Å; P138-N141 PolarHBondContact O-N 3.38Å; P138-N141 VanDerWaalsContact O-N 3.15Å; P138-E142 PolarHBondContact O-N 3.09Å; P138-Y145 HydrophobicContact CB-CD1 4.38Å; P138-Y145 HydrophobicContact CB-CD2 3.76Å; P138-Y145 HydrophobicContact CB-CE2 4.1Å; P138-Y145 HydrophobicContact CB-CG 3.94Å; P138-Y145 HydrophobicContact CG-CD1 4.49Å; P138-Y145 HydrophobicContact CG-CG 4.26Å
139	H	88.4	Confident	86.9	Confident	18 Å²	18	33.2 Å²	33.2	8%	0.083	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-70.5	-24.1	172.9	49.1	-104.3	0	0	0	113.9	K44 P137 N141 C146 D255 E256	K44-H139 PolarHBondContact NZ-ND1 3.14Å; P137-H139 VanDerWaalsContact C-N 3.25Å; P137-H139 PolarHBondContact O-N 3.45Å; H139-N141 PolarHBondContact O-N 2.93Å; H139-C146 PolarHBondContact O-SG 3.39Å; H139-D255 PolarHBondContact NE2-O 2.89Å; H139-D255 IonicContact NE2-OD2 3.35Å; H139-E256 HydrophobicContact CB-CG 4Å
140	D	91.4	Very high	87.2	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.005	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-70.9	-8.9	170.1	-67.9	11.8	0	0	0	112.6	P137 P138 A244 R250	P137-D140 HydrophobicContact CB-CB 4.38Å; P137-D140 WeakPolarHBondContact O-CB 3.34Å; P137-D140 PolarHBondContact O-N 2.92Å; P137-D140 VanDerWaalsContact O-N 3.13Å; P138-D140 VanDerWaalsContact C-N 3.35Å; D140-A244 WeakPolarHBondContact OD2-CB 2.86Å; D140-R250 IonicContact OD1-CZ 2.77Å; D140-R250 IonicContact OD1-NH1 2.69Å; D140-R250 PolarHBondContact OD1-NH1 2.75Å; D140-R250 IonicContact OD1-NH2 3.69Å; D140-R250 IonicContact OD2-CZ 2.68Å; D140-R250 IonicContact OD2-NH1 3.77Å; D140-R250 PolarHBondContact OD2-NH1 3.03Å; D140-R250 IonicContact OD2-NH2 2.69Å; D140-R250 PolarHBondContact OD2-NH2 2.71Å
141	N	87.2	Confident	87.5	Confident	19 Å²	19	40.1 Å²	40.1	10%	0.102	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.2	-35.8	-169.2	-79.3	-81.2	0	0	0	113.9	P137 P138 H139 S161 K165	P137-N141 PolarHBondContact O-ND2 3.47Å; P138-N141 WeakPolarHBondContact O-CB 3.36Å; P138-N141 PolarHBondContact O-N 3.38Å; P138-N141 VanDerWaalsContact O-N 3.15Å; H139-N141 PolarHBondContact O-N 2.93Å; N141-S161 PolarHBondContact O-OG 3.07Å; N141-K165 WeakPolarHBondContact OD1-CE 3.49Å; N141-K165 PolarHBondContact OD1-NZ 3.03Å
142	E	86.6	Confident	87.6	Confident	42 Å²	42	43.9 Å²	43.9	20%	0.196	22%	0.224	C	C	.	.			trans	-142.6	129.6	-177	-61.1	-166.2	173.9	0	0	113.1	T68 P138 R144 Y145	T68-E142 WeakPolarHBondContact CG2-OE2 3.4Å; P138-E142 PolarHBondContact O-N 3.09Å; E142-R144 HydrophobicContact CB-CG 4.47Å; E142-R144 PolarHBondContact O-N 3.18Å; E142-R144 IonicContact OE1-NH2 2.77Å; E142-R144 IonicContact OE2-CZ 2.85Å; E142-R144 IonicContact OE2-NE 2.76Å; E142-R144 PolarHBondContact OE2-NE 3.39Å; E142-R144 IonicContact OE2-NH2 1.75Å; E142-R144 PolarHBondContact OE2-NH2 3.12Å; E142-Y145 HydrophobicContact CB-CD2 3.98Å; E142-Y145 HydrophobicContact CB-CE2 4.07Å; E142-Y145 PolarHBondContact O-N 3.33Å
143	V	88.3	Confident	87.8	Confident	38 Å²	38	44.9 Å²	44.9	23%	0.23	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-47.1	-32.6	178.1	172	0	0	0	0	113.7	Y145 C146 K154 L157	V143-Y145 PolarHBondContact O-N 2.98Å; V143-Y145 VanDerWaalsContact O-N 3.14Å; V143-C146 WeakPolarHBondContact O-CB 3.42Å; V143-C146 PolarHBondContact O-N 2.97Å; V143-C146 VanDerWaalsContact O-N 3.12Å; V143-K154 HydrophobicContact CG1-CB 4.49Å; V143-K154 HydrophobicContact CG1-CD 3.81Å; V143-K154 HydrophobicContact CG1-CG 3.72Å; V143-K154 HydrophobicContact CG2-CB 4.13Å; V143-K154 HydrophobicContact CG2-CG 4.17Å; V143-L157 HydrophobicContact CG2-CD2 3.93Å; V143-L157 HydrophobicContact CG2-CG 4.5Å
144	R	86	Confident	88.2	Confident	146 Å²	146	45.4 Å²	45.4	55%	0.551	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-65	-17.7	-174.5	79.2	173.4	108.6	179.6	7	114.7	E142	E142-R144 HydrophobicContact CB-CG 4.47Å; E142-R144 PolarHBondContact O-N 3.18Å; E142-R144 IonicContact OE1-NH2 2.77Å; E142-R144 IonicContact OE2-CZ 2.85Å; E142-R144 IonicContact OE2-NE 2.76Å; E142-R144 PolarHBondContact OE2-NE 3.39Å; E142-R144 IonicContact OE2-NH2 1.75Å; E142-R144 PolarHBondContact OE2-NH2 3.12Å
145	Y	84.1	Confident	88.4	Confident	14 Å²	14	48.3 Å²	48.3	6%	0.055	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-101.8	-2.5	179.1	-54.1	-78.1	0	0	0	113.1	L18 E64 M65 T68 P138 E142 V143	L18-Y145 HydrophobicContact CD1-CD1 3.79Å; L18-Y145 HydrophobicContact CD1-CE1 4.36Å; L18-Y145 HydrophobicContact CD2-CD1 4.21Å; L18-Y145 HydrophobicContact CD2-CE1 3.98Å; E64-Y145 PolarHBondContact O-OH 3.23Å; M65-Y145 HydrophobicContact CE-CD1 4.19Å; M65-Y145 HydrophobicContact CE-CE1 4.23Å; T68-Y145 HydrophobicContact CG2-CE2 4.04Å; T68-Y145 WeakPolarHBondContact CG2-OH 3.36Å; P138-Y145 HydrophobicContact CB-CD1 4.38Å; P138-Y145 HydrophobicContact CB-CD2 3.76Å; P138-Y145 HydrophobicContact CB-CE2 4.1Å; P138-Y145 HydrophobicContact CB-CG 3.94Å; P138-Y145 HydrophobicContact CG-CD1 4.49Å; P138-Y145 HydrophobicContact CG-CG 4.26Å; E142-Y145 HydrophobicContact CB-CD2 3.98Å; E142-Y145 HydrophobicContact CB-CE2 4.07Å; E142-Y145 PolarHBondContact O-N 3.33Å; V143-Y145 PolarHBondContact O-N 2.98Å; V143-Y145 VanDerWaalsContact O-N 3.14Å
146	C	85.6	Confident	88.5	Confident	21 Å²	21	51.1 Å²	51.1	14%	0.142	25%	0.251	C	S	.	.	S	Bend	trans	-90.4	152.4	-179.2	-53.1	0	0	0	0	111.6	H139 V143 S148 L149 L157 E256	H139-C146 PolarHBondContact O-SG 3.39Å; V143-C146 WeakPolarHBondContact O-CB 3.42Å; V143-C146 PolarHBondContact O-N 2.97Å; V143-C146 VanDerWaalsContact O-N 3.12Å; C146-S148 PolarHBondContact O-N 2.78Å; C146-L149 HydrophobicContact CB-CD1 3.59Å; C146-L149 HydrophobicContact CB-CG 3.79Å; C146-L157 WeakPolarHBondContact SG-CD2 3.45Å; C146-E256 WeakPolarHBondContact CA-OE2 3.42Å
147	N	82.8	Confident	88.6	Confident	42 Å²	42	51 Å²	51	23%	0.225	25%	0.251	C	S	.	.	S	Bend	trans	-92.3	101.7	178.8	-75.1	-73.3	0	0	0	111.4	L149 E256	N147-L149 PolarHBondContact O-N 3.11Å; N147-E256 PolarHBondContact N-OE1 3Å; N147-E256 PolarHBondContact N-OE2 3.36Å; N147-E256 PolarHBondContact ND2-OE1 2.86Å
148	S	72.9	Confident	88.8	Confident	119 Å²	119	56.4 Å²	56.4	83%	0.832	27%	0.274	S	S	*	.	S	Bend	trans	58.1	42.7	164.2	-52.1	0	0	0	0	116.4	C146	C146-S148 PolarHBondContact O-N 2.78Å
149	L	86.1	Confident	89.1	Confident	13 Å²	13	61.8 Å²	61.8	7%	0.068	30%	0.301	C	S	.	.			trans	-62.8	145.9	169.1	-62.4	179.7	0	0	0	112.4	C146 N147 E153 K154 L157	C146-L149 HydrophobicContact CB-CD1 3.59Å; C146-L149 HydrophobicContact CB-CG 3.79Å; N147-L149 PolarHBondContact O-N 3.11Å; L149-E153 WeakPolarHBondContact CA-OE2 3.29Å; L149-E153 HydrophobicContact CB-CB 4.11Å; L149-E153 HydrophobicContact CD2-CB 4.18Å; L149-K154 HydrophobicContact CB-CG 3.89Å; L149-K154 VanDerWaalsContact O-CE 3.27Å; L149-K154 WeakPolarHBondContact O-CE 3.37Å; L149-K154 PolarHBondContact O-NZ 3.13Å; L149-L157 HydrophobicContact CD1-CD2 3.72Å
150	D	89.6	Confident	89.4	Confident	104 Å²	104	62 Å²	62	56%	0.556	30%	0.302	S	S	*	.			trans	-82.2	164.7	172.5	-76.5	-39.7	0	0	0	112.6	E152 E153 K154	D150-E152 PolarHBondContact O-N 3.08Å; D150-E152 VanDerWaalsContact O-N 3.13Å; D150-E153 PolarHBondContact N-OE2 3.41Å; D150-E153 PolarHBondContact O-N 2.77Å; D150-K154 WeakPolarHBondContact O-CB 3.47Å; D150-K154 VanDerWaalsContact O-CG 3.3Å; D150-K154 WeakPolarHBondContact O-CG 3.46Å; D150-K154 PolarHBondContact O-N 3.06Å
151	E	92.3	Very high	89.5	Confident	122 Å²	122	62.2 Å²	62.2	57%	0.57	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-12.6	-172.5	-67.5	-55.7	136.1	0	0	115.2	K154 R155	E151-K154 WeakPolarHBondContact OE1-CD 3.21Å; E151-K154 WeakPolarHBondContact OE1-CE 3.36Å; E151-K154 IonicContact OE1-NZ 2.78Å; E151-K154 PolarHBondContact OE1-NZ 3.2Å; E151-R155 PolarHBondContact O-NE 2.97Å; E151-R155 PolarHBondContact O-NH2 3.25Å
152	E	93	Very high	89.8	Confident	105 Å²	105	64.3 Å²	64.3	49%	0.491	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-54.6	168.3	-162.3	64.8	-115.1	0	0	110.2	D150 K154 R155 E156	D150-E152 PolarHBondContact O-N 3.08Å; D150-E152 VanDerWaalsContact O-N 3.13Å; E152-K154 VanDerWaalsContact C-N 3.25Å; E152-K154 PolarHBondContact O-N 3.15Å; E152-R155 CarbonylContact O-C 3.48Å; E152-R155 WeakPolarHBondContact O-CA 3.44Å; E152-R155 WeakPolarHBondContact O-CB 3.49Å; E152-R155 PolarHBondContact O-N 3.25Å; E152-R155 IonicContact OE1-CZ 3.92Å; E152-R155 VanDerWaalsContact OE1-CZ 3.24Å; E152-R155 IonicContact OE1-NH1 2.8Å; E152-R155 PolarHBondContact OE1-NH1 3.25Å; E152-R155 IonicContact OE1-NH2 2.72Å; E152-R155 PolarHBondContact OE1-NH2 2.87Å; E152-R155 IonicContact OE2-CZ 2.74Å; E152-R155 IonicContact OE2-NH1 3.11Å; E152-R155 PolarHBondContact OE2-NH1 2.73Å; E152-R155 IonicContact OE2-NH2 3.64Å; E152-R155 PolarHBondContact OE2-NH2 3.35Å; E152-E156 PolarHBondContact O-N 3.36Å
153	E	93.4	Very high	90.1	Very high	28 Å²	28	66.8 Å²	66.8	13%	0.131	33%	0.331	C	S	.	.	H	α-helix	trans	-57	-37.4	176.4	-56.7	-179.8	121.1	0	0	112.2	L149 D150 R155 E156 L157 F259	L149-E153 WeakPolarHBondContact CA-OE2 3.29Å; L149-E153 HydrophobicContact CB-CB 4.11Å; L149-E153 HydrophobicContact CD2-CB 4.18Å; D150-E153 PolarHBondContact N-OE2 3.41Å; D150-E153 PolarHBondContact O-N 2.77Å; E153-R155 PolarHBondContact O-N 3.15Å; E153-E156 PolarHBondContact O-N 3.04Å; E153-L157 WeakPolarHBondContact O-CB 3.27Å; E153-L157 PolarHBondContact O-N 3.3Å; E153-F259 HydrophobicContact CB-CB 4.07Å; E153-F259 HydrophobicContact CG-CB 4.05Å
154	K	93.4	Very high	90.4	Very high	46 Å²	46	65.3 Å²	65.3	20%	0.2	32%	0.322	C	S	.	.	H	α-helix	trans	-64.2	-22.6	173.3	-71.7	-172.8	-170.2	93.5	0	113.6	V143 L149 D150 E151 E152 K158	V143-K154 HydrophobicContact CG1-CB 4.49Å; V143-K154 HydrophobicContact CG1-CD 3.81Å; V143-K154 HydrophobicContact CG1-CG 3.72Å; V143-K154 HydrophobicContact CG2-CB 4.13Å; V143-K154 HydrophobicContact CG2-CG 4.17Å; L149-K154 HydrophobicContact CB-CG 3.89Å; L149-K154 VanDerWaalsContact O-CE 3.27Å; L149-K154 WeakPolarHBondContact O-CE 3.37Å; L149-K154 PolarHBondContact O-NZ 3.13Å; D150-K154 WeakPolarHBondContact O-CB 3.47Å; D150-K154 VanDerWaalsContact O-CG 3.3Å; D150-K154 WeakPolarHBondContact O-CG 3.46Å; D150-K154 PolarHBondContact O-N 3.06Å; E151-K154 WeakPolarHBondContact OE1-CD 3.21Å; E151-K154 WeakPolarHBondContact OE1-CE 3.36Å; E151-K154 IonicContact OE1-NZ 2.78Å; E151-K154 PolarHBondContact OE1-NZ 3.2Å; E152-K154 VanDerWaalsContact C-N 3.25Å; E152-K154 PolarHBondContact O-N 3.15Å; K154-K158 WeakPolarHBondContact O-CD 3.21Å; K154-K158 VanDerWaalsContact O-CE 3.3Å; K154-K158 WeakPolarHBondContact O-CE 3.47Å; K154-K158 VanDerWaalsContact O-CG 3.25Å; K154-K158 WeakPolarHBondContact O-CG 3.45Å
155	R	94.1	Very high	90.7	Very high	118 Å²	118	60.8 Å²	60.8	45%	0.445	31%	0.306	S	S	.	.	H	α-helix	trans	-87.5	-42.7	171.9	-78.2	178.6	-75.6	118	-3.7	110.7	E151 E152 E153 L157 K158 L159	E151-R155 PolarHBondContact O-NE 2.97Å; E151-R155 PolarHBondContact O-NH2 3.25Å; E152-R155 CarbonylContact O-C 3.48Å; E152-R155 WeakPolarHBondContact O-CA 3.44Å; E152-R155 WeakPolarHBondContact O-CB 3.49Å; E152-R155 PolarHBondContact O-N 3.25Å; E152-R155 IonicContact OE1-CZ 3.92Å; E152-R155 VanDerWaalsContact OE1-CZ 3.24Å; E152-R155 IonicContact OE1-NH1 2.8Å; E152-R155 PolarHBondContact OE1-NH1 3.25Å; E152-R155 IonicContact OE1-NH2 2.72Å; E152-R155 PolarHBondContact OE1-NH2 2.87Å; E152-R155 IonicContact OE2-CZ 2.74Å; E152-R155 IonicContact OE2-NH1 3.11Å; E152-R155 PolarHBondContact OE2-NH1 2.73Å; E152-R155 IonicContact OE2-NH2 3.64Å; E152-R155 PolarHBondContact OE2-NH2 3.35Å; E153-R155 PolarHBondContact O-N 3.15Å; R155-L157 PolarHBondContact O-N 2.85Å; R155-K158 PolarHBondContact O-N 3.01Å; R155-L159 WeakPolarHBondContact O-CG 3.45Å; R155-L159 PolarHBondContact O-N 3.48Å
156	E	94.6	Very high	91	Very high	62 Å²	62	67.6 Å²	67.6	29%	0.29	33%	0.331	S	S	.	.	H	α-helix	trans	-55.8	-51	172.8	-73.9	-162	-154.5	0	0	112.2	E152 E153 K158 L159 F160 K248 F259	E152-E156 PolarHBondContact O-N 3.36Å; E153-E156 PolarHBondContact O-N 3.04Å; E156-K158 VanDerWaalsContact C-N 3.25Å; E156-K158 PolarHBondContact O-N 2.75Å; E156-L159 CarbonylContact O-C 3.52Å; E156-L159 PolarHBondContact O-N 2.93Å; E156-F160 VanDerWaalsContact O-CB 3.22Å; E156-F160 WeakPolarHBondContact O-CB 3.07Å; E156-F160 PolarHBondContact O-N 3.23Å; E156-K248 WeakPolarHBondContact OE2-CE 3.41Å; E156-K248 IonicContact OE2-NZ 2.82Å; E156-K248 PolarHBondContact OE2-NZ 2.84Å; E156-F259 HydrophobicContact CB-CB 4.48Å; E156-F259 HydrophobicContact CB-CD1 3.59Å; E156-F259 HydrophobicContact CB-CE1 4.2Å; E156-F259 HydrophobicContact CB-CG 4.23Å
157	L	94.2	Very high	91.3	Very high	2 Å²	2	70 Å²	70	1%	0.01	34%	0.341	C	S	.	.	H	α-helix	trans	-58.2	-36.2	178.8	175	58.8	0	0	0	112.6	V143 C146 L149 E153 R155 S161 F259	V143-L157 HydrophobicContact CG2-CD2 3.93Å; V143-L157 HydrophobicContact CG2-CG 4.5Å; C146-L157 WeakPolarHBondContact SG-CD2 3.45Å; L149-L157 HydrophobicContact CD1-CD2 3.72Å; E153-L157 WeakPolarHBondContact O-CB 3.27Å; E153-L157 PolarHBondContact O-N 3.3Å; R155-L157 PolarHBondContact O-N 2.85Å; L157-S161 VanDerWaalsContact O-CB 3.24Å; L157-S161 WeakPolarHBondContact O-CB 3.45Å; L157-S161 PolarHBondContact O-N 3.31Å; L157-S161 PolarHBondContact O-OG 3.21Å; L157-F259 HydrophobicContact CB-CD2 4.45Å; L157-F259 HydrophobicContact CB-CE1 4.44Å; L157-F259 HydrophobicContact CB-CE2 3.87Å; L157-F259 HydrophobicContact CB-CZ 3.87Å; L157-F259 HydrophobicContact CD1-CE2 3.83Å; L157-F259 HydrophobicContact CD1-CZ 3.68Å; L157-F259 HydrophobicContact CG-CE2 4.3Å; L157-F259 HydrophobicContact CG-CZ 4.35Å
158	K	93.4	Very high	91.9	Very high	115 Å²	115	69.1 Å²	69.1	50%	0.5	34%	0.336	S	S	.	.	H	α-helix	trans	-68.5	-42	175.3	-71.6	169.6	-169.7	165.5	0	111.6	K154 R155 E156 S161 S162	K154-K158 WeakPolarHBondContact O-CD 3.21Å; K154-K158 VanDerWaalsContact O-CE 3.3Å; K154-K158 WeakPolarHBondContact O-CE 3.47Å; K154-K158 VanDerWaalsContact O-CG 3.25Å; K154-K158 WeakPolarHBondContact O-CG 3.45Å; R155-K158 PolarHBondContact O-N 3.01Å; E156-K158 VanDerWaalsContact C-N 3.25Å; E156-K158 PolarHBondContact O-N 2.75Å; K158-S161 PolarHBondContact O-OG 3.2Å; K158-S162 WeakPolarHBondContact O-CB 3.25Å; K158-S162 PolarHBondContact O-N 2.69Å; K158-S162 VanDerWaalsContact O-N 3.12Å; K158-S162 PolarHBondContact O-OG 2.89Å
159	L	94.6	Very high	92.9	Very high	123 Å²	123	63.8 Å²	63.8	64%	0.644	30%	0.298	S	S	*	.	H	α-helix	trans	-67.1	-52.7	177	-68.9	170.4	0	0	0	110.9	R155 E156 S161 S162 Q163	R155-L159 WeakPolarHBondContact O-CG 3.45Å; R155-L159 PolarHBondContact O-N 3.48Å; E156-L159 CarbonylContact O-C 3.52Å; E156-L159 PolarHBondContact O-N 2.93Å; L159-S161 PolarHBondContact O-N 3.19Å; L159-S162 PolarHBondContact O-N 2.83Å; L159-Q163 VanDerWaalsContact O-CB 3.23Å; L159-Q163 WeakPolarHBondContact O-CB 3.48Å; L159-Q163 PolarHBondContact O-N 2.78Å
160	F	95.1	Very high	93.2	Very high	22 Å²	22	63.4 Å²	63.4	10%	0.096	30%	0.297	C	S	.	.	H	α-helix	trans	-52.6	-54.4	177	178.2	-105.3	0	0	0	112.3	E156 S162 Q163 R164 A244 L247 K248 F259	E156-F160 VanDerWaalsContact O-CB 3.22Å; E156-F160 WeakPolarHBondContact O-CB 3.07Å; E156-F160 PolarHBondContact O-N 3.23Å; F160-S162 PolarHBondContact O-N 3.3Å; F160-Q163 PolarHBondContact O-N 2.87Å; F160-R164 WeakPolarHBondContact O-CB 3.29Å; F160-R164 VanDerWaalsContact O-CG 3.23Å; F160-R164 WeakPolarHBondContact O-CG 3.43Å; F160-R164 PolarHBondContact O-N 3Å; F160-A244 HydrophobicContact CE1-CB 4.31Å; F160-A244 HydrophobicContact CZ-CB 4.15Å; F160-L247 HydrophobicContact CE2-CB 3.78Å; F160-L247 HydrophobicContact CE2-CD1 4.17Å; F160-L247 HydrophobicContact CZ-CB 4.33Å; F160-K248 HydrophobicContact CE2-CB 4.43Å; F160-K248 HydrophobicContact CE2-CG 4.17Å; F160-F259 HydrophobicContact CB-CE1 3.91Å; F160-F259 HydrophobicContact CB-CZ 4.33Å; F160-F259 HydrophobicContact CD1-CE1 4.04Å; F160-F259 AromaticContact CD1-CZ 3.78Å; F160-F259 HydrophobicContact CD1-CZ 3.78Å; F160-F259 HydrophobicContact CD2-CE1 4.41Å; F160-F259 HydrophobicContact CE1-CZ 4.22Å; F160-F259 AromaticContact CG-CE1 3.9Å; F160-F259 HydrophobicContact CG-CE1 3.9Å; F160-F259 HydrophobicContact CG-CZ 4.13Å
161	S	93	Very high	93.3	Very high	6 Å²	6	60.1 Å²	60.1	4%	0.042	28%	0.277	C	S	.	.	H	α-helix	trans	-65.4	-38.8	179.9	62.3	0	0	0	0	112.3	N141 L157 K158 L159 K165	N141-S161 PolarHBondContact O-OG 3.07Å; L157-S161 VanDerWaalsContact O-CB 3.24Å; L157-S161 WeakPolarHBondContact O-CB 3.45Å; L157-S161 PolarHBondContact O-N 3.31Å; L157-S161 PolarHBondContact O-OG 3.21Å; K158-S161 PolarHBondContact O-OG 3.2Å; L159-S161 PolarHBondContact O-N 3.19Å; S161-K165 WeakPolarHBondContact O-CB 3.4Å; S161-K165 WeakPolarHBondContact O-CD 3.3Å; S161-K165 WeakPolarHBondContact O-CE 3.2Å; S161-K165 WeakPolarHBondContact O-CG 3.19Å; S161-K165 PolarHBondContact O-N 3.21Å; S161-K165 VanDerWaalsContact O-N 3.15Å
162	S	92.6	Very high	93.3	Very high	63 Å²	63	54.4 Å²	54.4	44%	0.441	25%	0.251	S	S	.	.	H	α-helix	trans	-69.4	-38.2	177.3	-58.1	0	0	0	0	112.7	K158 L159 F160 R166	K158-S162 WeakPolarHBondContact O-CB 3.25Å; K158-S162 PolarHBondContact O-N 2.69Å; K158-S162 VanDerWaalsContact O-N 3.12Å; K158-S162 PolarHBondContact O-OG 2.89Å; L159-S162 PolarHBondContact O-N 2.83Å; F160-S162 PolarHBondContact O-N 3.3Å; S162-R166 WeakPolarHBondContact O-CB 3.47Å; S162-R166 PolarHBondContact O-N 3.45Å; S162-R166 VanDerWaalsContact O-N 3.13Å
163	Q	93.9	Very high	93.2	Very high	93 Å²	93	52.8 Å²	52.8	44%	0.435	25%	0.246	S	C	.	.	H	α-helix	trans	-63.4	-53.5	177.1	-176	177.3	-0.2	0	0	110.6	L159 F160 K165 R166 E167	L159-Q163 VanDerWaalsContact O-CB 3.23Å; L159-Q163 WeakPolarHBondContact O-CB 3.48Å; L159-Q163 PolarHBondContact O-N 2.78Å; F160-Q163 PolarHBondContact O-N 2.87Å; Q163-K165 VanDerWaalsContact C-N 3.28Å; Q163-K165 PolarHBondContact O-N 3.14Å; Q163-R166 PolarHBondContact O-N 3.45Å; Q163-E167 WeakPolarHBondContact CG-OE1 3.43Å; Q163-E167 WeakPolarHBondContact CG-OE2 3.36Å; Q163-E167 PolarHBondContact NE2-OE2 3.04Å; Q163-E167 PolarHBondContact O-N 3.3Å
164	R	94.1	Very high	93.2	Very high	8 Å²	8	51.6 Å²	51.6	3%	0.03	24%	0.24	C	C	.	.	H	α-helix	trans	-59.4	-37.4	179.6	-65.5	173	61.7	-142.8	-7.9	112.4	F160 N168 L169 F231 G240 H243 A244 L247	F160-R164 WeakPolarHBondContact O-CB 3.29Å; F160-R164 VanDerWaalsContact O-CG 3.23Å; F160-R164 WeakPolarHBondContact O-CG 3.43Å; F160-R164 PolarHBondContact O-N 3Å; R164-N168 PolarHBondContact O-N 2.71Å; R164-N168 VanDerWaalsContact O-N 3.1Å; R164-L169 PolarHBondContact O-N 2.79Å; R164-F231 HydrophobicContact CB-CD1 4.37Å; R164-F231 HydrophobicContact CB-CE1 3.94Å; R164-G240 PolarHBondContact NH2-O 3.19Å; R164-H243 WeakPolarHBondContact CG-CE1 3.41Å; R164-H243 PolarHBondContact NE-ND1 2.83Å; R164-H243 PolarHBondContact NH2-ND1 3.39Å; R164-A244 VanDerWaalsContact NH1-CB 3.33Å; R164-L247 HydrophobicContact CG-CD1 3.98Å
165	K	91.6	Very high	93.1	Very high	51 Å²	51	54.4 Å²	54.4	22%	0.222	25%	0.25	C	C	.	.	H	α-helix	trans	-64.4	-35.7	174.1	-73.3	165	-162	-179.6	0	113.4	L72 N141 S161 Q163 L169	L72-K165 HydrophobicContact CD2-CD 4.05Å; L72-K165 VanDerWaalsContact CD2-CE 3.45Å; N141-K165 WeakPolarHBondContact OD1-CE 3.49Å; N141-K165 PolarHBondContact OD1-NZ 3.03Å; S161-K165 WeakPolarHBondContact O-CB 3.4Å; S161-K165 WeakPolarHBondContact O-CD 3.3Å; S161-K165 WeakPolarHBondContact O-CE 3.2Å; S161-K165 WeakPolarHBondContact O-CG 3.19Å; S161-K165 PolarHBondContact O-N 3.21Å; S161-K165 VanDerWaalsContact O-N 3.15Å; Q163-K165 VanDerWaalsContact C-N 3.28Å; Q163-K165 PolarHBondContact O-N 3.14Å; K165-L169 HydrophobicContact CB-CD2 4.13Å; K165-L169 HydrophobicContact CG-CD2 3.78Å
166	R	91.4	Very high	92.9	Very high	156 Å²	156	50.9 Å²	50.9	59%	0.589	24%	0.242	S	C	*	.	H	α-helix	trans	-79.1	-48.5	179.7	176.6	178	60.5	-130.2	-2.1	112.3	S162 Q163 R204	S162-R166 WeakPolarHBondContact O-CB 3.47Å; S162-R166 PolarHBondContact O-N 3.45Å; S162-R166 VanDerWaalsContact O-N 3.13Å; Q163-R166 PolarHBondContact O-N 3.45Å; R166-R204 PolarHBondContact O-NH1 2.72Å; R166-R204 PolarHBondContact O-NH2 3.08Å
167	E	91.9	Very high	92.6	Very high	72 Å²	72	48.8 Å²	48.8	34%	0.336	23%	0.232	S	C	.	.	H	α-helix	trans	-89.2	-35.5	-167.5	-82	137.3	-122.9	0	0	114.3	Q163 R204	Q163-E167 WeakPolarHBondContact CG-OE1 3.43Å; Q163-E167 WeakPolarHBondContact CG-OE2 3.36Å; Q163-E167 PolarHBondContact NE2-OE2 3.04Å; Q163-E167 PolarHBondContact O-N 3.3Å; E167-R204 VanDerWaalsContact C-CZ 3.44Å; E167-R204 PolarHBondContact O-NE 2.93Å; E167-R204 PolarHBondContact O-NH2 3.4Å
168	N	94.6	Very high	92.2	Very high	24 Å²	24	51.2 Å²	51.2	13%	0.128	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.6	-31.4	-166.7	-61.7	-12.4	0	0	0	113.8	R164 R204 F231 Y232 Q233 H243	R164-N168 PolarHBondContact O-N 2.71Å; R164-N168 VanDerWaalsContact O-N 3.1Å; N168-R204 VanDerWaalsContact O-CD 3.31Å; N168-R204 WeakPolarHBondContact O-CD 3.5Å; N168-F231 HydrophobicContact CB-CB 4.49Å; N168-F231 HydrophobicContact CB-CD1 4.28Å; N168-F231 CarbonylContact O-C 3.56Å; N168-F231 WeakPolarHBondContact O-CA 3.49Å; N168-Y232 VanDerWaalsContact CB-O 3.29Å; N168-Y232 WeakPolarHBondContact CB-O 3.39Å; N168-Y232 PolarHBondContact O-N 3.24Å; N168-Y232 PolarHBondContact OD1-O 2.93Å; N168-Q233 PolarHBondContact ND2-OE1 2.95Å; N168-H243 VanDerWaalsContact CB-NE2 3.3Å; N168-H243 WeakPolarHBondContact CB-NE2 3.5Å; N168-H243 PolarHBondContact ND2-CE1 2.7Å; N168-H243 PolarHBondContact ND2-NE2 2.79Å
169	L	94.1	Very high	91.7	Very high	7 Å²	7	51.3 Å²	51.3	4%	0.037	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	136.1	178.1	178.1	62.1	0	0	0	112.6	F76 R164 K165 R204 I229 Y230 F231	F76-L169 HydrophobicContact CE2-CD2 3.83Å; F76-L169 HydrophobicContact CE2-CG 3.87Å; F76-L169 HydrophobicContact CZ-CD2 4.25Å; F76-L169 HydrophobicContact CZ-CG 3.93Å; R164-L169 PolarHBondContact O-N 2.79Å; K165-L169 HydrophobicContact CB-CD2 4.13Å; K165-L169 HydrophobicContact CG-CD2 3.78Å; L169-R204 WeakPolarHBondContact O-CD 3.38Å; L169-R204 PolarHBondContact O-NH1 2.68Å; L169-I229 HydrophobicContact CD1-CG2 3.6Å; L169-Y230 CarbonylContact C-O 3.59Å; L169-Y230 WeakPolarHBondContact CA-O 3.44Å; L169-F231 HydrophobicContact CB-CD1 4.05Å; L169-F231 HydrophobicContact CB-CE1 3.79Å; L169-F231 HydrophobicContact CB-CZ 4.19Å; L169-F231 HydrophobicContact CD1-CD2 4.19Å; L169-F231 HydrophobicContact CD1-CE1 4.23Å; L169-F231 HydrophobicContact CD1-CE2 3.74Å; L169-F231 HydrophobicContact CD1-CZ 3.77Å; L169-F231 HydrophobicContact CG-CE1 4.47Å; L169-F231 HydrophobicContact CG-CZ 4.38Å
170	G	92.6	Very high	90.8	Very high	4 Å²	4	51.6 Å²	51.6	4%	0.041	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	175.6	165.9	0	0	0	0	0	111.8	Y230	G170-Y230 VanDerWaalsContact C-CE1 3.45Å; G170-Y230 PolarHBondContact N-O 2.83Å; G170-Y230 WeakPolarHBondContact O-CD1 3.13Å; G170-Y230 PolarHBondContact O-N 2.88Å; G170-Y230 VanDerWaalsContact O-O 3.1Å
171	R	91.5	Very high	89.9	Confident	35 Å²	35	55.7 Å²	55.7	13%	0.132	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	135.4	172.5	-168	176.6	-176.1	-170.9	-3.9	109.2	D227 L228 Y230	R171-D227 PolarHBondContact NE-O 2.81Å; R171-L228 CarbonylContact C-O 3.54Å; R171-L228 WeakPolarHBondContact CA-O 3.43Å; R171-Y230 VanDerWaalsContact C-CE1 3.41Å
172	G	91.8	Very high	88.9	Confident	3 Å²	3	61.9 Å²	61.9	3%	0.031	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-68	135.4	177.4	0	0	0	0	0	110.5	F201 L228	G172-F201 WeakPolarHBondContact CA-O 3.4Å; G172-L228 PolarHBondContact N-O 3.47Å
173	N	91.6	Very high	88.2	Confident	71 Å²	71	59.8 Å²	59.8	38%	0.38	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	124.8	171.7	176	-113.7	0	0	0	108.9	F201	N173-F201 PolarHBondContact N-O 3.07Å; N173-F201 PolarHBondContact O-N 2.74Å
174	V	92.8	Very high	88	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.012	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	135.5	176	-166.7	0	0	0	0	109.1	P97 L100 Y108 I198 A199 V200 L228	P97-V174 HydrophobicContact CB-CB 4.06Å; P97-V174 HydrophobicContact CB-CG2 3.62Å; P97-V174 HydrophobicContact CG-CG2 4.16Å; L100-V174 HydrophobicContact CD1-CB 4.13Å; L100-V174 HydrophobicContact CD1-CG1 3.92Å; L100-V174 HydrophobicContact CD2-CB 4.12Å; L100-V174 HydrophobicContact CD2-CG1 4.05Å; L100-V174 WeakPolarHBondContact CD2-O 3.43Å; L100-V174 HydrophobicContact CG-CB 4.3Å; L100-V174 HydrophobicContact CG-CG1 4.43Å; Y108-V174 HydrophobicContact CD2-CG1 3.78Å; Y108-V174 HydrophobicContact CD2-CG2 4.28Å; Y108-V174 HydrophobicContact CE2-CG1 4.31Å; Y108-V174 HydrophobicContact CE2-CG2 4.04Å; V174-I198 HydrophobicContact CG1-CG2 3.41Å; V174-I198 VanDerWaalsContact CG1-CG2 3.41Å; V174-A199 WeakPolarHBondContact CA-O 3.46Å; V174-V200 HydrophobicContact CG2-CG2 4.32Å; V174-L228 HydrophobicContact CG2-CD1 3.23Å
175	R	91.5	Very high	87.9	Confident	106 Å²	106	61.4 Å²	61.4	40%	0.4	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	156.1	173.1	58.3	-173.2	179.8	170.7	1.6	109.7	A199 F201	R175-A199 PolarHBondContact N-O 3.08Å; R175-A199 VanDerWaalsContact N-O 3.14Å; R175-A199 PolarHBondContact O-N 3.11Å; R175-F201 HydrophobicContact CG-CD2 3.68Å; R175-F201 HydrophobicContact CG-CE2 3.39Å; R175-F201 HydrophobicContact CG-CZ 4.34Å; R175-F201 VanDerWaalsContact NE-CD2 3.3Å; R175-F201 VanDerWaalsContact NH2-CD1 3.31Å
176	P	90.9	Very high	88	Confident	44 Å²	44	59 Å²	59	29%	0.286	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	138.6	164.7	-20.3	31.3	0	0	0	110.8	D197 I198	P176-D197 CarbonylContact C-O 3.31Å; P176-I198 HydrophobicContact CB-CD1 4.45Å; P176-I198 HydrophobicContact CG-CD1 3.94Å
177	F	87.8	Confident	88.2	Confident	17 Å²	17	57.5 Å²	57.5	8%	0.075	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-69.5	134.3	173.6	-170.9	-93.5	0	0	0	109.7	V179 M181 A184 I193 N194 G196 D197 F201	F177-V179 PolarHBondContact O-N 3.23Å; F177-M181 HydrophobicContact CE1-CB 3.67Å; F177-M181 HydrophobicContact CZ-CB 3.97Å; F177-A184 HydrophobicContact CD2-CB 4.21Å; F177-A184 HydrophobicContact CE1-CB 4.47Å; F177-A184 HydrophobicContact CE2-CB 3.32Å; F177-A184 HydrophobicContact CZ-CB 3.5Å; F177-A184 VanDerWaalsContact CZ-CB 3.5Å; F177-I193 HydrophobicContact CB-CG2 3.82Å; F177-I193 HydrophobicContact CD2-CG2 4.14Å; F177-I193 HydrophobicContact CG-CG2 3.93Å; F177-N194 WeakPolarHBondContact CB-O 3.29Å; F177-G196 PolarHBondContact O-N 2.84Å; F177-D197 WeakPolarHBondContact CB-O 3.39Å; F177-D197 PolarHBondContact N-O 3.34Å; F177-F201 AromaticContact CD2-CZ 3.92Å; F177-F201 HydrophobicContact CD2-CZ 3.92Å; F177-F201 HydrophobicContact CE2-CZ 4.43Å
178	P	84.7	Confident	88.3	Confident	54 Å²	54	58 Å²	58	35%	0.351	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-60.5	122.6	-173.4	-25.2	34.7	0	0	0	113.3	T180 M181	P178-T180 PolarHBondContact O-N 2.79Å; P178-M181 HydrophobicContact CB-CG 3.99Å; P178-M181 HydrophobicContact CG-CG 4.49Å; P178-M181 PolarHBondContact O-N 3.36Å
179	V	83.3	Confident	88.3	Confident	116 Å²	116	60.2 Å²	60.2	70%	0.703	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-20.7	179.5	-164.5	0	0	0	0	112.8	F177 M181	F177-V179 PolarHBondContact O-N 3.23Å; V179-M181 VanDerWaalsContact C-N 3.31Å; V179-M181 PolarHBondContact O-N 3.32Å
180	T	75.3	Confident	88.2	Confident	130 Å²	130	62.6 Å²	62.6	80%	0.798	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-3.1	177.1	51.4	0	0	0	0	114.6	P178	P178-T180 PolarHBondContact O-N 2.79Å
181	M	76.6	Confident	88.3	Confident	108 Å²	108	63.7 Å²	63.7	53%	0.532	37%	0.371	S	S	.	.	S	Bend	trans	-108.2	138.5	-179	-64.6	-86.9	71.8	0	0	111.2	F177 P178 V179 G183	F177-M181 HydrophobicContact CE1-CB 3.67Å; F177-M181 HydrophobicContact CZ-CB 3.97Å; P178-M181 HydrophobicContact CB-CG 3.99Å; P178-M181 HydrophobicContact CG-CG 4.49Å; P178-M181 PolarHBondContact O-N 3.36Å; V179-M181 VanDerWaalsContact C-N 3.31Å; V179-M181 PolarHBondContact O-N 3.32Å; M181-G183 PolarHBondContact O-N 2.76Å
182	T	73.4	Confident	88.4	Confident	136 Å²	136	67.8 Å²	67.8	83%	0.834	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-57.8	122.5	162.4	47.3	0	0	0	0	108.6
183	G	77.3	Confident	88.4	Confident	18 Å²	18	67.6 Å²	67.6	19%	0.186	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-50.6	138.2	-164.8	0	0	0	0	0	115.1	M181 Q192 I193	M181-G183 PolarHBondContact O-N 2.76Å; G183-Q192 PolarHBondContact O-NE2 3.37Å; G183-I193 CarbonylContact C-O 3.6Å; G183-I193 VanDerWaalsContact C-O 3.31Å; G183-I193 WeakPolarHBondContact CA-O 3.37Å
184	A	88.5	Confident	88.3	Confident	21 Å²	21	68.2 Å²	68.2	17%	0.174	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-76.1	168	-180	0	0	0	0	0	112.8	F177 Q192 I193 C210	F177-A184 HydrophobicContact CD2-CB 4.21Å; F177-A184 HydrophobicContact CE1-CB 4.47Å; F177-A184 HydrophobicContact CE2-CB 3.32Å; F177-A184 HydrophobicContact CZ-CB 3.5Å; F177-A184 VanDerWaalsContact CZ-CB 3.5Å; A184-Q192 CarbonylContact O-C 3.39Å; A184-Q192 WeakPolarHBondContact O-CA 3.3Å; A184-I193 PolarHBondContact N-O 2.74Å; A184-I193 VanDerWaalsContact N-O 3.14Å; A184-I193 PolarHBondContact O-N 2.8Å; A184-C210 VanDerWaalsContact CB-SG 3.54Å
185	I	92.3	Very high	88.1	Confident	115 Å²	115	69.7 Å²	69.7	59%	0.59	41%	0.409	S	S	*	.	B	Isolated β-bridge	trans	-100.9	134.8	176.2	-60.2	175.1	0	0	0	108.5	E187	I185-E187 PolarHBondContact O-N 3.08Å
186	C	94.8	Very high	87.9	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	41%	0.406	C	S	.	.	B	Isolated β-bridge	trans	-77.8	116.3	174.2	172.8	0	0	0	0	110.8	Q188 C189 G190 G191 I193 C210 H212 C215	C186-Q188 VanDerWaalsContact C-N 3.26Å; C186-Q188 PolarHBondContact O-N 3.35Å; C186-Q188 VanDerWaalsContact O-N 3.12Å; C186-C189 PolarHBondContact O-N 2.94Å; C186-C189 VanDerWaalsContact O-N 3.14Å; C186-G190 PolarHBondContact O-N 2.95Å; C186-G191 WeakPolarHBondContact CB-O 3.35Å; C186-G191 PolarHBondContact N-O 3.45Å; C186-I193 HydrophobicContact CB-CD1 3.93Å; C186-I193 HydrophobicContact CB-CG1 4.26Å; C186-C210 WeakPolarHBondContact CA-O 3.45Å; C186-H212 WeakPolarHBondContact CB-CE1 3.48Å; C186-H212 VanDerWaalsContact CB-ND1 3.27Å; C186-H212 WeakPolarHBondContact CB-ND1 3.48Å; C186-H212 PolarHBondContact SG-N 3.01Å; C186-H212 PolarHBondContact SG-ND1 2.69Å; C186-C215 VanDerWaalsContact SG-CB 3.56Å
187	E	94.4	Very high	87.9	Confident	125 Å²	125	67.1 Å²	67.1	58%	0.584	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-40.4	-173.7	-169.2	64.6	-158.1	0	0	113.6	I185 V209 C210 W211	I185-E187 PolarHBondContact O-N 3.08Å; E187-V209 HydrophobicContact CB-CG1 3.89Å; E187-V209 HydrophobicContact CG-CG1 3.94Å; E187-C210 PolarHBondContact N-O 3.48Å; E187-C210 VanDerWaalsContact N-O 3.14Å; E187-W211 HydrophobicContact CB-CD2 4.48Å; E187-W211 HydrophobicContact CB-CZ2 3.93Å; E187-W211 HydrophobicContact CG-CZ2 4.05Å
188	Q	93.9	Very high	88.1	Confident	81 Å²	81	66.9 Å²	66.9	38%	0.379	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-25.3	-175.7	-177.6	66.4	14.5	0	0	114.8	C186 C215 V217	C186-Q188 VanDerWaalsContact C-N 3.26Å; C186-Q188 PolarHBondContact O-N 3.35Å; C186-Q188 VanDerWaalsContact O-N 3.12Å; Q188-C215 HydrophobicContact CB-CB 4.06Å; Q188-C215 HydrophobicContact CG-CB 4.35Å; Q188-C215 WeakPolarHBondContact CG-O 3.39Å; Q188-V217 HydrophobicContact CG-CG2 4.16Å
189	C	94.8	Very high	88.6	Confident	72 Å²	72	64.3 Å²	64.3	49%	0.486	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.5	-7.2	-170.1	72.9	0	0	0	0	115.3	C186 G191	C186-C189 PolarHBondContact O-N 2.94Å; C186-C189 VanDerWaalsContact O-N 3.14Å; C189-G191 PolarHBondContact O-N 3.48Å; C189-G191 VanDerWaalsContact O-N 3.12Å; C189-G191 PolarHBondContact SG-N 2.9Å
190	G	93.1	Very high	89.1	Confident	57 Å²	57	58.8 Å²	58.8	59%	0.588	36%	0.357	S	S	*	.			trans	69	-0.6	-176.5	0	0	0	0	0	115.1	C186	C186-G190 PolarHBondContact O-N 2.95Å
191	G	93.7	Very high	90	Very high	27 Å²	27	53.3 Å²	53.3	28%	0.278	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-73.1	152	177	0	0	0	0	0	112.7	C186 C189	C186-G191 WeakPolarHBondContact CB-O 3.35Å; C186-G191 PolarHBondContact N-O 3.45Å; C189-G191 PolarHBondContact O-N 3.48Å; C189-G191 VanDerWaalsContact O-N 3.12Å; C189-G191 PolarHBondContact SG-N 2.9Å
192	Q	93.3	Very high	90.8	Very high	120 Å²	120	48.2 Å²	48.2	56%	0.561	30%	0.298	S	S	*	.	B	Isolated β-bridge	trans	-86.3	130.1	-178.7	-172.4	171.4	16.7	0	0	112	G183 A184	G183-Q192 PolarHBondContact O-NE2 3.37Å; A184-Q192 CarbonylContact O-C 3.39Å; A184-Q192 WeakPolarHBondContact O-CA 3.3Å
193	I	92.6	Very high	91.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-94.2	123.9	171.5	-65.1	165.2	0	0	0	107.5	F177 G183 A184 C186 D197 A199 C210 H212	F177-I193 HydrophobicContact CB-CG2 3.82Å; F177-I193 HydrophobicContact CD2-CG2 4.14Å; F177-I193 HydrophobicContact CG-CG2 3.93Å; G183-I193 CarbonylContact C-O 3.6Å; G183-I193 VanDerWaalsContact C-O 3.31Å; G183-I193 WeakPolarHBondContact CA-O 3.37Å; A184-I193 PolarHBondContact N-O 2.74Å; A184-I193 VanDerWaalsContact N-O 3.14Å; A184-I193 PolarHBondContact O-N 2.8Å; C186-I193 HydrophobicContact CB-CD1 3.93Å; C186-I193 HydrophobicContact CB-CG1 4.26Å; I193-D197 HydrophobicContact CG2-CB 3.99Å; I193-A199 HydrophobicContact CD1-CB 4.28Å; I193-A199 HydrophobicContact CG2-CB 4.07Å; I193-C210 HydrophobicContact CD1-CB 4.3Å; I193-H212 WeakPolarHBondContact CG1-NE2 3.41Å
194	N	90.3	Very high	92.2	Very high	83 Å²	83	49.2 Å²	49.2	44%	0.444	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-90.7	165.8	-173.4	-51.1	-82.5	0	0	0	112.4	F177 G196 D197	F177-N194 WeakPolarHBondContact CB-O 3.29Å; N194-G196 PolarHBondContact O-N 3.13Å; N194-G196 VanDerWaalsContact O-N 3.11Å; N194-D197 WeakPolarHBondContact CA-OD2 3.29Å; N194-D197 VanDerWaalsContact CB-OD2 3.23Å; N194-D197 WeakPolarHBondContact CB-OD2 3.13Å; N194-D197 PolarHBondContact N-OD2 3.02Å; N194-D197 PolarHBondContact ND2-OD2 2.92Å; N194-D197 PolarHBondContact O-N 2.88Å; N194-D197 VanDerWaalsContact O-N 3.12Å
195	G	88.2	Confident	92.3	Very high	34 Å²	34	49.2 Å²	49.2	35%	0.351	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	110.6	172.4	0	0	0	0	0	112
196	G	87	Confident	92.1	Very high	31 Å²	31	45 Å²	45	32%	0.32	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	110.6	-21.3	-176.9	0	0	0	0	0	114.6	F177 N194	F177-G196 PolarHBondContact O-N 2.84Å; N194-G196 PolarHBondContact O-N 3.13Å; N194-G196 VanDerWaalsContact O-N 3.11Å
197	D	90.8	Very high	91.4	Very high	64 Å²	64	53.2 Å²	53.2	34%	0.342	32%	0.315	S	S	.	.			trans	-65.8	142.9	-177.7	-67.5	-13.1	0	0	0	111.5	P176 F177 I193 N194 A199	P176-D197 CarbonylContact C-O 3.31Å; F177-D197 WeakPolarHBondContact CB-O 3.39Å; F177-D197 PolarHBondContact N-O 3.34Å; I193-D197 HydrophobicContact CG2-CB 3.99Å; N194-D197 WeakPolarHBondContact CA-OD2 3.29Å; N194-D197 VanDerWaalsContact CB-OD2 3.23Å; N194-D197 WeakPolarHBondContact CB-OD2 3.13Å; N194-D197 PolarHBondContact N-OD2 3.02Å; N194-D197 PolarHBondContact ND2-OD2 2.92Å; N194-D197 PolarHBondContact O-N 2.88Å; N194-D197 VanDerWaalsContact O-N 3.12Å; D197-A199 PolarHBondContact O-N 3.09Å
198	I	92.5	Very high	90.8	Very high	12 Å²	12	50.3 Å²	50.3	6%	0.062	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	125.1	174.7	-63.7	-63.5	0	0	0	109.8	Q104 Q107 Y108 V174 P176 P213	Q104-I198 HydrophobicContact CB-CD1 4.19Å; Q104-I198 HydrophobicContact CG-CD1 4.48Å; Q107-I198 HydrophobicContact CB-CD1 4.37Å; Q107-I198 HydrophobicContact CB-CG1 3.71Å; Y108-I198 HydrophobicContact CD2-CG2 4.02Å; V174-I198 HydrophobicContact CG1-CG2 3.41Å; V174-I198 VanDerWaalsContact CG1-CG2 3.41Å; P176-I198 HydrophobicContact CB-CD1 4.45Å; P176-I198 HydrophobicContact CG-CD1 3.94Å; I198-P213 HydrophobicContact CG2-CG 4.01Å; I198-P213 VanDerWaalsContact O-CD 3.31Å; I198-P213 WeakPolarHBondContact O-CD 3.46Å
199	A	94.1	Very high	90.6	Very high	0 Å²	0	48 Å²	48	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	146.5	179.4	0	0	0	0	0	112.4	V174 R175 I193 D197 F201 C210	V174-A199 WeakPolarHBondContact CA-O 3.46Å; R175-A199 PolarHBondContact N-O 3.08Å; R175-A199 VanDerWaalsContact N-O 3.14Å; R175-A199 PolarHBondContact O-N 3.11Å; I193-A199 HydrophobicContact CD1-CB 4.28Å; I193-A199 HydrophobicContact CG2-CB 4.07Å; D197-A199 PolarHBondContact O-N 3.09Å; A199-F201 HydrophobicContact CB-CD2 4.49Å; A199-F201 HydrophobicContact CB-CE2 3.8Å; A199-F201 HydrophobicContact CB-CZ 4.24Å; A199-C210 HydrophobicContact CB-CB 4.46Å
200	V	94.7	Very high	90.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	132	171.8	-170.8	0	0	0	0	108.5	Y108 V174 C210 W211 F216 L228	Y108-V200 HydrophobicContact CE2-CG2 4.41Å; V174-V200 HydrophobicContact CG2-CG2 4.32Å; V200-C210 CarbonylContact O-C 3.58Å; V200-C210 WeakPolarHBondContact O-CA 3.29Å; V200-C210 WeakPolarHBondContact O-CB 3.49Å; V200-W211 PolarHBondContact N-O 2.65Å; V200-W211 PolarHBondContact O-N 3.13Å; V200-F216 HydrophobicContact CB-CB 4.46Å; V200-F216 HydrophobicContact CB-CD2 4.19Å; V200-F216 HydrophobicContact CB-CG 4.26Å; V200-F216 HydrophobicContact CG1-CB 4.48Å; V200-F216 HydrophobicContact CG1-CD1 4.02Å; V200-F216 HydrophobicContact CG1-CD2 3.76Å; V200-F216 HydrophobicContact CG1-CE1 4.16Å; V200-F216 HydrophobicContact CG1-CE2 3.92Å; V200-F216 HydrophobicContact CG1-CG 3.82Å; V200-F216 HydrophobicContact CG1-CZ 4.11Å; V200-F216 HydrophobicContact CG2-CB 4.28Å; V200-F216 HydrophobicContact CG2-CG 4.48Å; V200-L228 HydrophobicContact CG1-CD2 4.02Å; V200-L228 HydrophobicContact CG2-CD2 4.22Å
201	F	93.4	Very high	90.7	Very high	16 Å²	16	42.1 Å²	42.1	7%	0.07	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	139	177	-64.9	-99	0	0	0	110.5	G172 N173 R175 F177 A199 C210	G172-F201 WeakPolarHBondContact CA-O 3.4Å; N173-F201 PolarHBondContact N-O 3.07Å; N173-F201 PolarHBondContact O-N 2.74Å; R175-F201 HydrophobicContact CG-CD2 3.68Å; R175-F201 HydrophobicContact CG-CE2 3.39Å; R175-F201 HydrophobicContact CG-CZ 4.34Å; R175-F201 VanDerWaalsContact NE-CD2 3.3Å; R175-F201 VanDerWaalsContact NH2-CD1 3.31Å; F177-F201 AromaticContact CD2-CZ 3.92Å; F177-F201 HydrophobicContact CD2-CZ 3.92Å; F177-F201 HydrophobicContact CE2-CZ 4.43Å; A199-F201 HydrophobicContact CB-CD2 4.49Å; A199-F201 HydrophobicContact CB-CE2 3.8Å; A199-F201 HydrophobicContact CB-CZ 4.24Å; F201-C210 HydrophobicContact CD1-CB 3.86Å; F201-C210 HydrophobicContact CE1-CB 3.81Å; F201-C210 HydrophobicContact CG-CB 4.33Å; F201-C210 HydrophobicContact CZ-CB 4.24Å
202	A	93.3	Very high	90.8	Very high	1 Å²	1	43 Å²	43	1%	0.008	26%	0.257	C	S	.	.			trans	-116.9	100.8	-178.9	0	0	0	0	0	111.4	R204 A205 G206 W211 F216 Y230	A202-R204 PolarHBondContact O-N 3.2Å; A202-A205 HydrophobicContact CB-CB 4.12Å; A202-A205 PolarHBondContact O-N 3.18Å; A202-G206 PolarHBondContact O-N 3.38Å; A202-W211 HydrophobicContact CB-CE3 4.28Å; A202-W211 HydrophobicContact CB-CH2 3.66Å; A202-W211 HydrophobicContact CB-CZ3 3.34Å; A202-F216 HydrophobicContact CB-CE2 4.33Å; A202-Y230 HydrophobicContact CB-CE1 3.91Å; A202-Y230 HydrophobicContact CB-CE2 4.17Å
203	S	90	Very high	90.8	Very high	81 Å²	81	37.4 Å²	37.4	57%	0.566	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-26.4	-174.7	-48.4	0	0	0	0	115.7	Y230	S203-Y230 PolarHBondContact N-OH 2.96Å; S203-Y230 VanDerWaalsContact N-OH 3.17Å
204	R	91	Very high	91	Very high	94 Å²	94	40.2 Å²	40.2	36%	0.355	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-23.1	177.4	-52.1	-166.8	90.1	108.1	9.6	114.1	R166 E167 N168 L169 A202 Y230 Y232	R166-R204 PolarHBondContact O-NH1 2.72Å; R166-R204 PolarHBondContact O-NH2 3.08Å; E167-R204 VanDerWaalsContact C-CZ 3.44Å; E167-R204 PolarHBondContact O-NE 2.93Å; E167-R204 PolarHBondContact O-NH2 3.4Å; N168-R204 VanDerWaalsContact O-CD 3.31Å; N168-R204 WeakPolarHBondContact O-CD 3.5Å; L169-R204 WeakPolarHBondContact O-CD 3.38Å; L169-R204 PolarHBondContact O-NH1 2.68Å; A202-R204 PolarHBondContact O-N 3.2Å; R204-Y230 HydrophobicContact CB-CE2 4.19Å; R204-Y230 HydrophobicContact CG-CE2 4.3Å; R204-Y230 PolarHBondContact N-OH 3.43Å; R204-Y232 HydrophobicContact CB-CD1 3.99Å; R204-Y232 HydrophobicContact CB-CG 4.23Å; R204-Y232 WeakPolarHBondContact O-CD1 3.42Å; R204-Y232 WeakPolarHBondContact O-CE1 3.38Å
205	A	90.4	Very high	91.2	Very high	21 Å²	21	37.3 Å²	37.3	17%	0.174	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-33.8	174.2	0	0	0	0	0	111.7	A202 V209 W211 Y232	A202-A205 HydrophobicContact CB-CB 4.12Å; A202-A205 PolarHBondContact O-N 3.18Å; A205-V209 HydrophobicContact CB-CB 4.07Å; A205-V209 HydrophobicContact CB-CG1 4.25Å; A205-V209 HydrophobicContact CB-CG2 4.23Å; A205-W211 HydrophobicContact CB-CH2 3.75Å; A205-Y232 HydrophobicContact CB-CD2 4.06Å; A205-Y232 HydrophobicContact CB-CE2 3.67Å
206	G	87.1	Confident	91.6	Very high	25 Å²	25	35.8 Å²	35.8	26%	0.258	22%	0.219	S	C	.	.			trans	143	155.7	172.2	0	0	0	0	0	112.1	A202 G208 V209	A202-G206 PolarHBondContact O-N 3.38Å; G206-G208 PolarHBondContact O-N 3.15Å; G206-V209 PolarHBondContact O-N 2.84Å; G206-V209 VanDerWaalsContact O-N 3.08Å
207	H	80.4	Confident	92.1	Very high	173 Å²	173	35 Å²	35	80%	0.801	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-14.4	-172.5	-60.5	-61	0	0	0	115.3
208	G	81.5	Confident	92.4	Very high	64 Å²	64	31.9 Å²	31.9	66%	0.66	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107	-3	175.5	0	0	0	0	0	115.3	G206	G206-G208 PolarHBondContact O-N 3.15Å
209	V	91.3	Very high	92.6	Very high	32 Å²	32	33.8 Å²	33.8	19%	0.194	20%	0.204	C	C	.	.			trans	-87.9	127.9	-177.4	-164.9	0	0	0	0	109.8	E187 A205 G206 W211	E187-V209 HydrophobicContact CB-CG1 3.89Å; E187-V209 HydrophobicContact CG-CG1 3.94Å; A205-V209 HydrophobicContact CB-CB 4.07Å; A205-V209 HydrophobicContact CB-CG1 4.25Å; A205-V209 HydrophobicContact CB-CG2 4.23Å; G206-V209 PolarHBondContact O-N 2.84Å; G206-V209 VanDerWaalsContact O-N 3.08Å; V209-W211 HydrophobicContact CB-CH2 4.06Å; V209-W211 HydrophobicContact CB-CZ3 4.2Å; V209-W211 HydrophobicContact CG1-CH2 3.36Å; V209-W211 HydrophobicContact CG1-CZ2 3.89Å; V209-W211 HydrophobicContact CG1-CZ3 3.8Å
210	C	93.3	Very high	92.7	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.007	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	160.6	-176.5	55.1	0	0	0	0	113.4	A184 C186 E187 I193 A199 V200 F201	A184-C210 VanDerWaalsContact CB-SG 3.54Å; C186-C210 WeakPolarHBondContact CA-O 3.45Å; E187-C210 PolarHBondContact N-O 3.48Å; E187-C210 VanDerWaalsContact N-O 3.14Å; I193-C210 HydrophobicContact CD1-CB 4.3Å; A199-C210 HydrophobicContact CB-CB 4.46Å; V200-C210 CarbonylContact O-C 3.58Å; V200-C210 WeakPolarHBondContact O-CA 3.29Å; V200-C210 WeakPolarHBondContact O-CB 3.49Å; F201-C210 HydrophobicContact CD1-CB 3.86Å; F201-C210 HydrophobicContact CE1-CB 3.81Å; F201-C210 HydrophobicContact CG-CB 4.33Å; F201-C210 HydrophobicContact CZ-CB 4.24Å
211	W	95.6	Very high	92.7	Very high	6 Å²	6	39.5 Å²	39.5	2%	0.023	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	147.6	179.6	-63.1	-106.9	0	0	0	110.2	E187 V200 A202 A205 V209 C215 F216 I237	E187-W211 HydrophobicContact CB-CD2 4.48Å; E187-W211 HydrophobicContact CB-CZ2 3.93Å; E187-W211 HydrophobicContact CG-CZ2 4.05Å; V200-W211 PolarHBondContact N-O 2.65Å; V200-W211 PolarHBondContact O-N 3.13Å; A202-W211 HydrophobicContact CB-CE3 4.28Å; A202-W211 HydrophobicContact CB-CH2 3.66Å; A202-W211 HydrophobicContact CB-CZ3 3.34Å; A205-W211 HydrophobicContact CB-CH2 3.75Å; V209-W211 HydrophobicContact CB-CH2 4.06Å; V209-W211 HydrophobicContact CB-CZ3 4.2Å; V209-W211 HydrophobicContact CG1-CH2 3.36Å; V209-W211 HydrophobicContact CG1-CZ2 3.89Å; V209-W211 HydrophobicContact CG1-CZ3 3.8Å; W211-C215 HydrophobicContact CB-CB 4.31Å; W211-F216 HydrophobicContact CB-CB 4.3Å; W211-F216 HydrophobicContact CB-CD2 4.02Å; W211-F216 AromaticContact CD2-CD2 3.75Å; W211-F216 HydrophobicContact CD2-CD2 3.75Å; W211-F216 HydrophobicContact CD2-CE2 4.06Å; W211-F216 AromaticContact CE3-CD2 3.97Å; W211-F216 HydrophobicContact CE3-CD2 3.97Å; W211-F216 AromaticContact CE3-CE2 3.93Å; W211-F216 HydrophobicContact CE3-CE2 3.93Å; W211-F216 AromaticContact CG-CD2 3.77Å; W211-F216 HydrophobicContact CG-CD2 3.77Å; W211-F216 HydrophobicContact CZ3-CE2 4.36Å; W211-I237 HydrophobicContact CZ2-CD1 4.02Å; W211-I237 HydrophobicContact CZ2-CG2 4.37Å
212	H	95.3	Very high	92.7	Very high	45 Å²	45	43.5 Å²	43.5	21%	0.208	26%	0.262	C	S	.	.			trans	-60.2	149.1	157.6	-52.1	103.2	0	0	0	109.4	C186 I193 P214 C215 F216	C186-H212 WeakPolarHBondContact CB-CE1 3.48Å; C186-H212 VanDerWaalsContact CB-ND1 3.27Å; C186-H212 WeakPolarHBondContact CB-ND1 3.48Å; C186-H212 PolarHBondContact SG-N 3.01Å; C186-H212 PolarHBondContact SG-ND1 2.69Å; I193-H212 WeakPolarHBondContact CG1-NE2 3.41Å; H212-P214 HydrophobicContact CB-CG 4.27Å; H212-C215 HydrophobicContact CB-CB 4.02Å; H212-C215 WeakPolarHBondContact O-CA 3.37Å; H212-C215 WeakPolarHBondContact O-CB 3.44Å; H212-C215 PolarHBondContact O-N 3.08Å; H212-F216 PolarHBondContact O-N 3.18Å
213	P	94.7	Very high	92.8	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.019	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-46.9	-49.5	174	-29.3	36	0	0	0	115.1	Y108 C111 L112 I198 C215 F216	Y108-P213 HydrophobicContact CD2-CB 3.9Å; Y108-P213 HydrophobicContact CD2-CG 3.79Å; Y108-P213 HydrophobicContact CE2-CB 3.68Å; Y108-P213 HydrophobicContact CE2-CG 3.99Å; C111-P213 HydrophobicContact CB-CB 3.98Å; C111-P213 HydrophobicContact CB-CG 4.03Å; L112-P213 HydrophobicContact CD2-CB 4.13Å; I198-P213 HydrophobicContact CG2-CG 4.01Å; I198-P213 VanDerWaalsContact O-CD 3.31Å; I198-P213 WeakPolarHBondContact O-CD 3.46Å; P213-C215 PolarHBondContact O-N 3.19Å; P213-F216 PolarHBondContact O-N 2.87Å
214	P	95.4	Very high	93.1	Very high	59 Å²	59	44.1 Å²	44.1	38%	0.383	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-71.6	-11.2	177.4	29.1	-37.2	0	0	0	114.2	C111 L112 H212	C111-P214 WeakPolarHBondContact O-CD 3.5Å; C111-P214 WeakPolarHBondContact O-CG 3.29Å; L112-P214 HydrophobicContact CD2-CB 4.06Å; H212-P214 HydrophobicContact CB-CG 4.27Å
215	C	95.9	Very high	93.3	Very high	21 Å²	21	39.9 Å²	39.9	14%	0.142	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-92.6	-5.6	178.8	-72.5	0	0	0	0	113.3	C186 Q188 W211 H212 P213 V217	C186-C215 VanDerWaalsContact SG-CB 3.56Å; Q188-C215 HydrophobicContact CB-CB 4.06Å; Q188-C215 HydrophobicContact CG-CB 4.35Å; Q188-C215 WeakPolarHBondContact CG-O 3.39Å; W211-C215 HydrophobicContact CB-CB 4.31Å; H212-C215 HydrophobicContact CB-CB 4.02Å; H212-C215 WeakPolarHBondContact O-CA 3.37Å; H212-C215 WeakPolarHBondContact O-CB 3.44Å; H212-C215 PolarHBondContact O-N 3.08Å; P213-C215 PolarHBondContact O-N 3.19Å; C215-V217 PolarHBondContact O-N 3.43Å
216	F	96.4	Very high	93.4	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.009	23%	0.234	C	C	.	.			trans	-83.6	67	-179.6	-160.2	-111.3	0	0	0	111.4	V200 A202 W211 H212 P213 L225 L228 Y230 I237	V200-F216 HydrophobicContact CB-CB 4.46Å; V200-F216 HydrophobicContact CB-CD2 4.19Å; V200-F216 HydrophobicContact CB-CG 4.26Å; V200-F216 HydrophobicContact CG1-CB 4.48Å; V200-F216 HydrophobicContact CG1-CD1 4.02Å; V200-F216 HydrophobicContact CG1-CD2 3.76Å; V200-F216 HydrophobicContact CG1-CE1 4.16Å; V200-F216 HydrophobicContact CG1-CE2 3.92Å; V200-F216 HydrophobicContact CG1-CG 3.82Å; V200-F216 HydrophobicContact CG1-CZ 4.11Å; V200-F216 HydrophobicContact CG2-CB 4.28Å; V200-F216 HydrophobicContact CG2-CG 4.48Å; A202-F216 HydrophobicContact CB-CE2 4.33Å; W211-F216 HydrophobicContact CB-CB 4.3Å; W211-F216 HydrophobicContact CB-CD2 4.02Å; W211-F216 AromaticContact CD2-CD2 3.75Å; W211-F216 HydrophobicContact CD2-CD2 3.75Å; W211-F216 HydrophobicContact CD2-CE2 4.06Å; W211-F216 AromaticContact CE3-CD2 3.97Å; W211-F216 HydrophobicContact CE3-CD2 3.97Å; W211-F216 AromaticContact CE3-CE2 3.93Å; W211-F216 HydrophobicContact CE3-CE2 3.93Å; W211-F216 AromaticContact CG-CD2 3.77Å; W211-F216 HydrophobicContact CG-CD2 3.77Å; W211-F216 HydrophobicContact CZ3-CE2 4.36Å; H212-F216 PolarHBondContact O-N 3.18Å; P213-F216 PolarHBondContact O-N 2.87Å; F216-L225 HydrophobicContact CD1-CB 3.78Å; F216-L225 HydrophobicContact CD1-CD1 3.91Å; F216-L225 HydrophobicContact CD1-CG 4.43Å; F216-L225 HydrophobicContact CE1-CB 3.84Å; F216-L225 HydrophobicContact CE1-CD1 3.76Å; F216-L225 HydrophobicContact CE1-CG 4.45Å; F216-L225 HydrophobicContact CE2-CD1 4.48Å; F216-L225 HydrophobicContact CG-CD1 4.34Å; F216-L225 HydrophobicContact CZ-CD1 4.07Å; F216-L225 PolarHBondContact O-N 3.24Å; F216-L228 HydrophobicContact CD1-CD2 3.66Å; F216-L228 HydrophobicContact CE1-CB 4.22Å; F216-L228 HydrophobicContact CE1-CD2 4.11Å; F216-L228 HydrophobicContact CG-CD2 4.48Å; F216-Y230 HydrophobicContact CE1-CD1 4.24Å; F216-Y230 AromaticContact CZ-CD1 3.61Å; F216-Y230 HydrophobicContact CZ-CD1 3.61Å; F216-Y230 HydrophobicContact CZ-CE1 4.27Å; F216-Y230 HydrophobicContact CZ-CG 4.05Å; F216-I237 HydrophobicContact CD2-CD1 3.96Å; F216-I237 HydrophobicContact CE2-CD1 3.9Å
217	V	96.6	Very high	93.6	Very high	14 Å²	14	38.3 Å²	38.3	9%	0.085	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-110.6	155.5	-172.5	-63	0	0	0	0	112.8	Q188 C215 N222 E223 L224	Q188-V217 HydrophobicContact CG-CG2 4.16Å; C215-V217 PolarHBondContact O-N 3.43Å; V217-N222 WeakPolarHBondContact CG1-O 3.27Å; V217-E223 CarbonylContact C-O 3.59Å; V217-E223 VanDerWaalsContact CA-O 3.25Å; V217-E223 WeakPolarHBondContact CA-O 3.32Å; V217-E223 WeakPolarHBondContact CB-O 3.2Å; V217-L224 HydrophobicContact CG1-CD2 3.9Å
218	C	97.1	Very high	94.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	19%	0.187	C	C	.	.			trans	-71.6	130.8	171.1	172.9	0	0	0	0	111.3	V220 N222 E223 L225 C239	C218-V220 PolarHBondContact O-N 2.89Å; C218-N222 VanDerWaalsContact O-CA 3.22Å; C218-N222 WeakPolarHBondContact O-CA 3.3Å; C218-N222 PolarHBondContact O-N 3.48Å; C218-E223 PolarHBondContact N-O 3.46Å; C218-L225 HydrophobicContact CB-CD2 3.87Å; C218-L225 HydrophobicContact CB-CG 4.47Å; C218-C239 HydrophobicContact CB-CB 4.12Å; C218-C239 PolarHBondContact SG-N 2.83Å
219	T	96.4	Very high	94.8	Very high	52 Å²	52	27.5 Å²	27.5	32%	0.319	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-17.8	-178.3	-50.7	0	0	0	0	114.9	K236 I237	T219-K236 HydrophobicContact CG2-CD 4.36Å; T219-K236 HydrophobicContact CG2-CG 4.45Å; T219-I237 PolarHBondContact N-O 2.88Å; T219-I237 PolarHBondContact OG1-O 3.13Å
220	V	95.9	Very high	95	Very high	73 Å²	73	26 Å²	26	44%	0.442	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-55.2	-177.3	-178.3	0	0	0	0	112.3	C218 N222 Y238 H242	C218-V220 PolarHBondContact O-N 2.89Å; V220-N222 PolarHBondContact O-ND2 3.4Å; V220-Y238 HydrophobicContact CG2-CD1 3.86Å; V220-Y238 HydrophobicContact CG2-CE1 3.78Å; V220-H242 HydrophobicContact CB-CB 4.02Å; V220-H242 HydrophobicContact CG1-CB 4.42Å; V220-H242 VanDerWaalsContact CG1-CD2 3.42Å; V220-H242 WeakPolarHBondContact CG1-CD2 3.32Å; V220-H242 HydrophobicContact CG2-CB 4.04Å
221	C	94.7	Very high	95.1	Very high	46 Å²	46	26.4 Å²	26.4	31%	0.311	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-10.4	179.5	56.8	0	0	0	0	114.9	E223 H242	C221-E223 PolarHBondContact O-N 3.12Å; C221-E223 VanDerWaalsContact O-N 3.09Å; C221-H242 VanDerWaalsContact CB-CE1 3.47Å; C221-H242 WeakPolarHBondContact CB-CE1 3.15Å; C221-H242 PolarHBondContact SG-CE1 3.42Å
222	N	95.3	Very high	95.1	Very high	100 Å²	100	29 Å²	29	54%	0.535	16%	0.159	S	C	.	.			trans	58	15.8	-177.1	-57.9	-81.3	0	0	0	115	V217 C218 V220	V217-N222 WeakPolarHBondContact CG1-O 3.27Å; C218-N222 VanDerWaalsContact O-CA 3.22Å; C218-N222 WeakPolarHBondContact O-CA 3.3Å; C218-N222 PolarHBondContact O-N 3.48Å; V220-N222 PolarHBondContact O-ND2 3.4Å
223	E	95.2	Very high	95.1	Very high	68 Å²	68	29.5 Å²	29.5	32%	0.318	16%	0.162	S	C	.	.			trans	-87.5	152.8	171.4	-84.8	-62.6	157.2	0	0	112.1	K116 Q131 V217 C218 C221	K116-E223 IonicContact NZ-OE1 2.81Å; K116-E223 PolarHBondContact NZ-OE1 3.18Å; K116-E223 IonicContact NZ-OE2 3.7Å; K116-E223 PolarHBondContact NZ-OE2 2.93Å; Q131-E223 PolarHBondContact NE2-OE2 2.62Å; V217-E223 CarbonylContact C-O 3.59Å; V217-E223 VanDerWaalsContact CA-O 3.25Å; V217-E223 WeakPolarHBondContact CA-O 3.32Å; V217-E223 WeakPolarHBondContact CB-O 3.2Å; C218-E223 PolarHBondContact N-O 3.46Å; C221-E223 PolarHBondContact O-N 3.12Å; C221-E223 VanDerWaalsContact O-N 3.09Å
224	L	95.1	Very high	95	Very high	27 Å²	27	35.5 Å²	35.5	14%	0.141	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-58.9	135.6	179.8	-64.9	170.2	0	0	0	110.7	L112 K116 Q135 V217 V226	L112-L224 HydrophobicContact CD2-CD1 4.04Å; L112-L224 HydrophobicContact CD2-CD2 4.37Å; K116-L224 HydrophobicContact CD-CD1 3.99Å; Q135-L224 PolarHBondContact NE2-O 3.4Å; Q135-L224 PolarHBondContact OE1-O 3.01Å; V217-L224 HydrophobicContact CG1-CD2 3.9Å; L224-V226 PolarHBondContact O-N 3.1Å; L224-V226 VanDerWaalsContact O-N 3.14Å
225	L	95.8	Very high	94.7	Very high	6 Å²	6	34.8 Å²	34.8	3%	0.031	20%	0.198	C	C	.	.			trans	-72.8	107.1	-179.5	-71.6	160.8	0	0	0	110.1	F216 C218 L228 I237 C239	F216-L225 HydrophobicContact CD1-CB 3.78Å; F216-L225 HydrophobicContact CD1-CD1 3.91Å; F216-L225 HydrophobicContact CD1-CG 4.43Å; F216-L225 HydrophobicContact CE1-CB 3.84Å; F216-L225 HydrophobicContact CE1-CD1 3.76Å; F216-L225 HydrophobicContact CE1-CG 4.45Å; F216-L225 HydrophobicContact CE2-CD1 4.48Å; F216-L225 HydrophobicContact CG-CD1 4.34Å; F216-L225 HydrophobicContact CZ-CD1 4.07Å; F216-L225 PolarHBondContact O-N 3.24Å; C218-L225 HydrophobicContact CB-CD2 3.87Å; C218-L225 HydrophobicContact CB-CG 4.47Å; L225-L228 WeakPolarHBondContact O-CA 3.34Å; L225-L228 PolarHBondContact O-N 3.42Å; L225-I237 HydrophobicContact CD1-CB 4.17Å; L225-I237 HydrophobicContact CD1-CD1 3.77Å; L225-I237 HydrophobicContact CD1-CG1 4.16Å; L225-C239 HydrophobicContact CD2-CB 3.82Å
226	V	92.6	Very high	94.6	Very high	6 Å²	6	38.9 Å²	38.9	4%	0.036	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-60.5	135.5	-169.4	69.1	0	0	0	0	112.1	R128 Q131 L132 Q135 L136 L224 L228 I229	R128-V226 HydrophobicContact CG-CG2 4.17Å; Q131-V226 HydrophobicContact CB-CB 4.24Å; Q131-V226 HydrophobicContact CB-CG2 4.11Å; L132-V226 HydrophobicContact CB-CG2 4.05Å; L132-V226 HydrophobicContact CD1-CB 4.49Å; L132-V226 HydrophobicContact CD1-CG1 3.82Å; L132-V226 HydrophobicContact CD1-CG2 3.88Å; Q135-V226 HydrophobicContact CB-CG1 3.85Å; Q135-V226 HydrophobicContact CG-CG1 4.4Å; Q135-V226 VanDerWaalsContact OE1-N 3.15Å; L136-V226 HydrophobicContact CD1-CG1 4.42Å; L224-V226 PolarHBondContact O-N 3.1Å; L224-V226 VanDerWaalsContact O-N 3.14Å; V226-L228 PolarHBondContact O-N 2.97Å; V226-I229 WeakPolarHBondContact O-CB 3.39Å; V226-I229 PolarHBondContact O-N 3.1Å
227	D	92.1	Very high	94.6	Very high	7 Å²	7	39 Å²	39	4%	0.037	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	50.3	22.2	-173.5	-67.5	20.4	0	0	0	114.5	M73 W95 R128 R171 I229	M73-D227 HydrophobicContact CE-CB 4.01Å; M73-D227 WeakPolarHBondContact CE-OD2 3.47Å; W95-D227 VanDerWaalsContact CD1-OD2 3.22Å; W95-D227 VanDerWaalsContact CZ2-CA 3.43Å; W95-D227 HydrophobicContact CZ2-CB 3.82Å; W95-D227 WeakPolarHBondContact CZ2-O 3.35Å; W95-D227 VanDerWaalsContact NE1-CG 3.33Å; W95-D227 PolarHBondContact NE1-OD2 2.8Å; W95-D227 VanDerWaalsContact NE1-OD2 3.11Å; R128-D227 IonicContact CZ-OD1 3.2Å; R128-D227 IonicContact CZ-OD2 2.73Å; R128-D227 IonicContact NE-OD1 3.83Å; R128-D227 PolarHBondContact NE-OD1 2.9Å; R128-D227 IonicContact NE-OD2 3.35Å; R128-D227 IonicContact NH2-OD1 2.67Å; R128-D227 PolarHBondContact NH2-OD1 2.77Å; R128-D227 IonicContact NH2-OD2 3.84Å; R128-D227 PolarHBondContact NH2-OD2 3.01Å; R171-D227 PolarHBondContact NE-O 2.81Å; D227-I229 HydrophobicContact CB-CD1 3.87Å; D227-I229 HydrophobicContact CB-CG1 4.12Å; D227-I229 PolarHBondContact O-N 3.46Å
228	L	93.3	Very high	94.7	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.016	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	62.2	23.2	-172.3	-54.1	166	0	0	0	114.3	W95 P97 R171 G172 V174 V200 F216 L225 V226	W95-L228 HydrophobicContact CH2-CD1 3.95Å; W95-L228 HydrophobicContact CH2-CG 3.96Å; P97-L228 HydrophobicContact CB-CD1 4.16Å; R171-L228 CarbonylContact C-O 3.54Å; R171-L228 WeakPolarHBondContact CA-O 3.43Å; G172-L228 PolarHBondContact N-O 3.47Å; V174-L228 HydrophobicContact CG2-CD1 3.23Å; V200-L228 HydrophobicContact CG1-CD2 4.02Å; V200-L228 HydrophobicContact CG2-CD2 4.22Å; F216-L228 HydrophobicContact CD1-CD2 3.66Å; F216-L228 HydrophobicContact CE1-CB 4.22Å; F216-L228 HydrophobicContact CE1-CD2 4.11Å; F216-L228 HydrophobicContact CG-CD2 4.48Å; L225-L228 WeakPolarHBondContact O-CA 3.34Å; L225-L228 PolarHBondContact O-N 3.42Å; V226-L228 PolarHBondContact O-N 2.97Å
229	I	93.6	Very high	94.6	Very high	7 Å²	7	39.8 Å²	39.8	4%	0.036	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	121.3	-177.6	-57	167.4	0	0	0	109	M73 L136 L169 V226 D227	M73-I229 HydrophobicContact CG-CD1 3.71Å; M73-I229 HydrophobicContact SD-CD1 4.27Å; L136-I229 HydrophobicContact CD1-CB 4.08Å; L136-I229 HydrophobicContact CD1-CD1 3.49Å; L136-I229 VanDerWaalsContact CD1-CD1 3.49Å; L136-I229 HydrophobicContact CD1-CG1 4.38Å; L136-I229 HydrophobicContact CD1-CG2 3.88Å; L136-I229 HydrophobicContact CD2-CG2 4Å; L169-I229 HydrophobicContact CD1-CG2 3.6Å; V226-I229 WeakPolarHBondContact O-CB 3.39Å; V226-I229 PolarHBondContact O-N 3.1Å; D227-I229 HydrophobicContact CB-CD1 3.87Å; D227-I229 HydrophobicContact CB-CG1 4.12Å; D227-I229 PolarHBondContact O-N 3.46Å
230	Y	95.3	Very high	94.5	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	154.5	-174.7	71.5	-91.6	0	0	0	112	L169 G170 R171 A202 S203 R204 F216 I237	L169-Y230 CarbonylContact C-O 3.59Å; L169-Y230 WeakPolarHBondContact CA-O 3.44Å; G170-Y230 VanDerWaalsContact C-CE1 3.45Å; G170-Y230 PolarHBondContact N-O 2.83Å; G170-Y230 WeakPolarHBondContact O-CD1 3.13Å; G170-Y230 PolarHBondContact O-N 2.88Å; G170-Y230 VanDerWaalsContact O-O 3.1Å; R171-Y230 VanDerWaalsContact C-CE1 3.41Å; A202-Y230 HydrophobicContact CB-CE1 3.91Å; A202-Y230 HydrophobicContact CB-CE2 4.17Å; S203-Y230 PolarHBondContact N-OH 2.96Å; S203-Y230 VanDerWaalsContact N-OH 3.17Å; R204-Y230 HydrophobicContact CB-CE2 4.19Å; R204-Y230 HydrophobicContact CG-CE2 4.3Å; R204-Y230 PolarHBondContact N-OH 3.43Å; F216-Y230 HydrophobicContact CE1-CD1 4.24Å; F216-Y230 AromaticContact CZ-CD1 3.61Å; F216-Y230 HydrophobicContact CZ-CD1 3.61Å; F216-Y230 HydrophobicContact CZ-CE1 4.27Å; F216-Y230 HydrophobicContact CZ-CG 4.05Å; Y230-I237 HydrophobicContact CD2-CG2 4.17Å
231	F	95.7	Very high	94.5	Very high	8 Å²	8	35.4 Å²	35.4	4%	0.035	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	122.5	165.6	-68.1	-105.9	0	0	0	108.1	L136 R164 N168 L169 Y238 G240 H243	L136-F231 HydrophobicContact CD2-CE2 4.04Å; R164-F231 HydrophobicContact CB-CD1 4.37Å; R164-F231 HydrophobicContact CB-CE1 3.94Å; N168-F231 HydrophobicContact CB-CB 4.49Å; N168-F231 HydrophobicContact CB-CD1 4.28Å; N168-F231 CarbonylContact O-C 3.56Å; N168-F231 WeakPolarHBondContact O-CA 3.49Å; L169-F231 HydrophobicContact CB-CD1 4.05Å; L169-F231 HydrophobicContact CB-CE1 3.79Å; L169-F231 HydrophobicContact CB-CZ 4.19Å; L169-F231 HydrophobicContact CD1-CD2 4.19Å; L169-F231 HydrophobicContact CD1-CE1 4.23Å; L169-F231 HydrophobicContact CD1-CE2 3.74Å; L169-F231 HydrophobicContact CD1-CZ 3.77Å; L169-F231 HydrophobicContact CG-CE1 4.47Å; L169-F231 HydrophobicContact CG-CZ 4.38Å; F231-Y238 PolarHBondContact N-O 3.11Å; F231-Y238 PolarHBondContact O-N 2.81Å; F231-G240 VanDerWaalsContact CD2-CA 3.46Å; F231-H243 HydrophobicContact CB-CB 3.73Å; F231-H243 VanDerWaalsContact CB-CD2 3.5Å; F231-H243 WeakPolarHBondContact CB-CD2 3.11Å; F231-H243 VanDerWaalsContact CB-CG 3.44Å; F231-H243 HydrophobicContact CD1-CB 4.45Å; F231-H243 AromaticContact CD1-CG 3.9Å; F231-H243 AromaticContact CD1-ND1 3.56Å; F231-H243 HydrophobicContact CD2-CB 4.49Å; F231-H243 HydrophobicContact CG-CB 3.99Å; F231-H243 AromaticContact CG-CG 3.81Å; F231-H243 AromaticContact CG-ND1 3.97Å
232	Y	95.5	Very high	94.6	Very high	60 Å²	60	34.3 Å²	34.3	24%	0.235	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	128.7	178.3	-180	-105.5	0	0	0	110.4	N168 R204 A205 G235 K236 I237	N168-Y232 VanDerWaalsContact CB-O 3.29Å; N168-Y232 WeakPolarHBondContact CB-O 3.39Å; N168-Y232 PolarHBondContact O-N 3.24Å; N168-Y232 PolarHBondContact OD1-O 2.93Å; R204-Y232 HydrophobicContact CB-CD1 3.99Å; R204-Y232 HydrophobicContact CB-CG 4.23Å; R204-Y232 WeakPolarHBondContact O-CD1 3.42Å; R204-Y232 WeakPolarHBondContact O-CE1 3.38Å; A205-Y232 HydrophobicContact CB-CD2 4.06Å; A205-Y232 HydrophobicContact CB-CE2 3.67Å; Y232-G235 WeakPolarHBondContact OH-CA 3.29Å; Y232-K236 WeakPolarHBondContact CA-O 3.39Å; Y232-K236 WeakPolarHBondContact CD2-O 3.27Å; Y232-I237 HydrophobicContact CD2-CG2 4.02Å
233	Q	94.6	Very high	94.6	Very high	56 Å²	56	29.8 Å²	29.8	26%	0.262	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	134	179.9	-178.1	69.3	57.9	0	0	107.8	N168 G235 K236 Y238 H243	N168-Q233 PolarHBondContact ND2-OE1 2.95Å; Q233-G235 VanDerWaalsContact C-N 3.3Å; Q233-G235 PolarHBondContact O-N 2.91Å; Q233-G235 VanDerWaalsContact O-N 3.13Å; Q233-K236 PolarHBondContact N-O 3.23Å; Q233-K236 PolarHBondContact O-N 2.81Å; Q233-Y238 HydrophobicContact CB-CD2 4.3Å; Q233-Y238 HydrophobicContact CB-CE2 4.1Å; Q233-H243 VanDerWaalsContact CB-NE2 3.26Å; Q233-H243 WeakPolarHBondContact CB-NE2 3.5Å; Q233-H243 PolarHBondContact OE1-NE2 3.42Å
234	D	91.7	Very high	94.6	Very high	129 Å²	129	26.5 Å²	26.5	69%	0.69	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.6	45	171.1	-48.8	-28	0	0	0	115.1	K236	D234-K236 VanDerWaalsContact C-N 3.31Å; D234-K236 PolarHBondContact O-N 3.39Å
235	G	90.6	Very high	94.6	Very high	45 Å²	45	28.2 Å²	28.2	46%	0.464	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	0.1	179.5	0	0	0	0	0	115.4	Y232 Q233	Y232-G235 WeakPolarHBondContact OH-CA 3.29Å; Q233-G235 VanDerWaalsContact C-N 3.3Å; Q233-G235 PolarHBondContact O-N 2.91Å; Q233-G235 VanDerWaalsContact O-N 3.13Å
236	K	94.1	Very high	94.5	Very high	107 Å²	107	31.9 Å²	31.9	47%	0.465	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	155.4	-169.7	-69.2	162	-174.9	169	0	112.4	T219 Y232 Q233 D234 Y238	T219-K236 HydrophobicContact CG2-CD 4.36Å; T219-K236 HydrophobicContact CG2-CG 4.45Å; Y232-K236 WeakPolarHBondContact CA-O 3.39Å; Y232-K236 WeakPolarHBondContact CD2-O 3.27Å; Q233-K236 PolarHBondContact N-O 3.23Å; Q233-K236 PolarHBondContact O-N 2.81Å; D234-K236 VanDerWaalsContact C-N 3.31Å; D234-K236 PolarHBondContact O-N 3.39Å; K236-Y238 HydrophobicContact CB-CD2 4.31Å; K236-Y238 HydrophobicContact CB-CE2 3.48Å; K236-Y238 VanDerWaalsContact CB-CE2 3.48Å; K236-Y238 WeakPolarHBondContact CD-OH 3.32Å
237	I	96.3	Very high	94.6	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.026	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	126.1	179.5	53.9	175.1	0	0	0	111.6	W211 F216 T219 L225 Y230 Y232	W211-I237 HydrophobicContact CZ2-CD1 4.02Å; W211-I237 HydrophobicContact CZ2-CG2 4.37Å; F216-I237 HydrophobicContact CD2-CD1 3.96Å; F216-I237 HydrophobicContact CE2-CD1 3.9Å; T219-I237 PolarHBondContact N-O 2.88Å; T219-I237 PolarHBondContact OG1-O 3.13Å; L225-I237 HydrophobicContact CD1-CB 4.17Å; L225-I237 HydrophobicContact CD1-CD1 3.77Å; L225-I237 HydrophobicContact CD1-CG1 4.16Å; Y230-I237 HydrophobicContact CD2-CG2 4.17Å; Y232-I237 HydrophobicContact CD2-CG2 4.02Å
238	Y	97.2	Very high	94.7	Very high	29 Å²	29	38.1 Å²	38.1	11%	0.114	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	150.1	-174.7	-61.4	-92.5	0	0	0	110.4	V220 F231 Q233 K236 H242	V220-Y238 HydrophobicContact CG2-CD1 3.86Å; V220-Y238 HydrophobicContact CG2-CE1 3.78Å; F231-Y238 PolarHBondContact N-O 3.11Å; F231-Y238 PolarHBondContact O-N 2.81Å; Q233-Y238 HydrophobicContact CB-CD2 4.3Å; Q233-Y238 HydrophobicContact CB-CE2 4.1Å; K236-Y238 HydrophobicContact CB-CD2 4.31Å; K236-Y238 HydrophobicContact CB-CE2 3.48Å; K236-Y238 VanDerWaalsContact CB-CE2 3.48Å; K236-Y238 WeakPolarHBondContact CD-OH 3.32Å; Y238-H242 HydrophobicContact CD1-CB 4.5Å
239	C	96.4	Very high	94.8	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.007	21%	0.21	C	C	.	.			trans	-76.2	164	163.3	75.9	0	0	0	0	110.2	Q135 C218 L225 R241 H242 H243	Q135-C239 HydrophobicContact CB-CB 3.83Å; Q135-C239 HydrophobicContact CG-CB 3.85Å; C218-C239 HydrophobicContact CB-CB 4.12Å; C218-C239 PolarHBondContact SG-N 2.83Å; L225-C239 HydrophobicContact CD2-CB 3.82Å; C239-R241 PolarHBondContact O-N 3.39Å; C239-H242 PolarHBondContact O-N 2.95Å; C239-H242 PolarHBondContact SG-ND1 2.76Å; C239-H243 WeakPolarHBondContact O-CB 3.4Å; C239-H243 PolarHBondContact O-N 2.93Å
240	G	93.9	Very high	94.9	Very high	4 Å²	4	40.3 Å²	40.3	4%	0.041	21%	0.212	C	C	.	.	H	α-helix	trans	-60.2	-31.8	-176.5	0	0	0	0	0	114.4	Q135 R164 F231 A244	Q135-G240 CarbonylContact O-C 3.31Å; Q135-G240 WeakPolarHBondContact O-CA 3.34Å; Q135-G240 PolarHBondContact O-N 3.48Å; R164-G240 PolarHBondContact NH2-O 3.19Å; F231-G240 VanDerWaalsContact CD2-CA 3.46Å; G240-A244 WeakPolarHBondContact O-CB 3.12Å; G240-A244 PolarHBondContact O-N 2.76Å; G240-A244 VanDerWaalsContact O-N 3.15Å
241	R	95.3	Very high	94.8	Very high	29 Å²	29	40.3 Å²	40.3	11%	0.109	21%	0.212	C	C	.	.	H	α-helix	trans	-63.3	-59.1	175.6	-173.8	-168.4	176.4	94.9	10.4	112.4	H134 Q135 P137 C239 H243 A244 E245 R250 D255	H134-R241 WeakPolarHBondContact NE2-CD 3.42Å; H134-R241 VanDerWaalsContact O-CB 3.3Å; H134-R241 WeakPolarHBondContact O-CB 3.47Å; H134-R241 WeakPolarHBondContact O-CD 3.47Å; Q135-R241 PolarHBondContact O-N 3.22Å; P137-R241 HydrophobicContact CG-CB 4.28Å; P137-R241 HydrophobicContact CG-CG 4.37Å; C239-R241 PolarHBondContact O-N 3.39Å; R241-H243 VanDerWaalsContact C-N 3.35Å; R241-H243 PolarHBondContact O-N 3.26Å; R241-A244 VanDerWaalsContact O-CB 3.29Å; R241-A244 WeakPolarHBondContact O-CB 3.03Å; R241-A244 PolarHBondContact O-N 3.12Å; R241-A244 VanDerWaalsContact O-N 3.08Å; R241-E245 WeakPolarHBondContact CG-OE1 3.33Å; R241-E245 IonicContact CZ-OE1 3.97Å; R241-E245 IonicContact NE-OE1 2.72Å; R241-E245 PolarHBondContact NE-OE1 3.49Å; R241-E245 IonicContact NH2-OE1 3.23Å; R241-E245 PolarHBondContact NH2-OE1 3.09Å; R241-E245 WeakPolarHBondContact O-CG 3.23Å; R241-E245 PolarHBondContact O-N 3.14Å; R241-E245 VanDerWaalsContact O-N 3.13Å; R241-R250 VanDerWaalsContact NH2-CD 3.27Å; R241-R250 PolarHBondContact O-NH2 3.41Å; R241-D255 IonicContact CZ-OD1 3.09Å; R241-D255 IonicContact CZ-OD2 3.3Å; R241-D255 IonicContact NH1-OD1 3.85Å; R241-D255 PolarHBondContact NH1-OD1 3.32Å; R241-D255 IonicContact NH1-OD2 3.67Å; R241-D255 PolarHBondContact NH1-OD2 2.72Å; R241-D255 IonicContact NH2-OD1 3.5Å; R241-D255 PolarHBondContact NH2-OD1 3.5Å; R241-D255 IonicContact NH2-OD2 3.87Å
242	H	96.6	Very high	94.6	Very high	23 Å²	23	42.3 Å²	42.3	11%	0.106	23%	0.23	C	C	.	.	H	α-helix	trans	-68.4	-34.9	-176.7	-64	108.7	0	0	0	111.9	V220 C221 Y238 C239 A244 E245 C246	V220-H242 HydrophobicContact CB-CB 4.02Å; V220-H242 HydrophobicContact CG1-CB 4.42Å; V220-H242 VanDerWaalsContact CG1-CD2 3.42Å; V220-H242 WeakPolarHBondContact CG1-CD2 3.32Å; V220-H242 HydrophobicContact CG2-CB 4.04Å; C221-H242 VanDerWaalsContact CB-CE1 3.47Å; C221-H242 WeakPolarHBondContact CB-CE1 3.15Å; C221-H242 PolarHBondContact SG-CE1 3.42Å; Y238-H242 HydrophobicContact CD1-CB 4.5Å; C239-H242 PolarHBondContact O-N 2.95Å; C239-H242 PolarHBondContact SG-ND1 2.76Å; H242-A244 PolarHBondContact O-N 3.36Å; H242-E245 IonicContact CD2-OE2 2.67Å; H242-E245 PolarHBondContact CD2-OE2 2.91Å; H242-E245 IonicContact CG-OE2 3.42Å; H242-E245 IonicContact NE2-OE2 2.65Å; H242-E245 PolarHBondContact O-N 2.72Å; H242-C246 PolarHBondContact O-N 3.42Å; H242-C246 PolarHBondContact O-SG 3.41Å
243	H	96.3	Very high	94.4	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.019	23%	0.226	C	C	.	.	H	α-helix	trans	-63.8	-27.8	172.2	-174.2	-86.7	0	0	0	112.9	R164 N168 F231 Q233 C239 R241 L247	R164-H243 WeakPolarHBondContact CG-CE1 3.41Å; R164-H243 PolarHBondContact NE-ND1 2.83Å; R164-H243 PolarHBondContact NH2-ND1 3.39Å; N168-H243 VanDerWaalsContact CB-NE2 3.3Å; N168-H243 WeakPolarHBondContact CB-NE2 3.5Å; N168-H243 PolarHBondContact ND2-CE1 2.7Å; N168-H243 PolarHBondContact ND2-NE2 2.79Å; F231-H243 HydrophobicContact CB-CB 3.73Å; F231-H243 VanDerWaalsContact CB-CD2 3.5Å; F231-H243 WeakPolarHBondContact CB-CD2 3.11Å; F231-H243 VanDerWaalsContact CB-CG 3.44Å; F231-H243 HydrophobicContact CD1-CB 4.45Å; F231-H243 AromaticContact CD1-CG 3.9Å; F231-H243 AromaticContact CD1-ND1 3.56Å; F231-H243 HydrophobicContact CD2-CB 4.49Å; F231-H243 HydrophobicContact CG-CB 3.99Å; F231-H243 AromaticContact CG-CG 3.81Å; F231-H243 AromaticContact CG-ND1 3.97Å; Q233-H243 VanDerWaalsContact CB-NE2 3.26Å; Q233-H243 WeakPolarHBondContact CB-NE2 3.5Å; Q233-H243 PolarHBondContact OE1-NE2 3.42Å; C239-H243 WeakPolarHBondContact O-CB 3.4Å; C239-H243 PolarHBondContact O-N 2.93Å; R241-H243 VanDerWaalsContact C-N 3.35Å; R241-H243 PolarHBondContact O-N 3.26Å; H243-L247 WeakPolarHBondContact CE1-CD1 3.36Å
244	A	95.7	Very high	94.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-71.3	-45.8	171.8	0	0	0	0	0	111	D140 F160 R164 G240 R241 H242 C246 L247 K248 I257	D140-A244 WeakPolarHBondContact OD2-CB 2.86Å; F160-A244 HydrophobicContact CE1-CB 4.31Å; F160-A244 HydrophobicContact CZ-CB 4.15Å; R164-A244 VanDerWaalsContact NH1-CB 3.33Å; G240-A244 WeakPolarHBondContact O-CB 3.12Å; G240-A244 PolarHBondContact O-N 2.76Å; G240-A244 VanDerWaalsContact O-N 3.15Å; R241-A244 VanDerWaalsContact O-CB 3.29Å; R241-A244 WeakPolarHBondContact O-CB 3.03Å; R241-A244 PolarHBondContact O-N 3.12Å; R241-A244 VanDerWaalsContact O-N 3.08Å; H242-A244 PolarHBondContact O-N 3.36Å; A244-C246 VanDerWaalsContact C-N 3.28Å; A244-C246 PolarHBondContact O-N 3.26Å; A244-L247 PolarHBondContact O-N 3.25Å; A244-K248 PolarHBondContact O-N 2.73Å; A244-K248 VanDerWaalsContact O-O 3.12Å; A244-I257 HydrophobicContact CB-CD1 3.65Å; A244-I257 HydrophobicContact CB-CG1 4.08Å
245	E	95	Very high	94.1	Very high	63 Å²	63	33.3 Å²	33.3	29%	0.294	19%	0.19	S	C	.	.	H	α-helix	trans	-64.8	-28.2	-179.1	-68.7	161.4	176.1	0	0	112.9	R241 H242 L247 R250	R241-E245 WeakPolarHBondContact CG-OE1 3.33Å; R241-E245 IonicContact CZ-OE1 3.97Å; R241-E245 IonicContact NE-OE1 2.72Å; R241-E245 PolarHBondContact NE-OE1 3.49Å; R241-E245 IonicContact NH2-OE1 3.23Å; R241-E245 PolarHBondContact NH2-OE1 3.09Å; R241-E245 WeakPolarHBondContact O-CG 3.23Å; R241-E245 PolarHBondContact O-N 3.14Å; R241-E245 VanDerWaalsContact O-N 3.13Å; H242-E245 IonicContact CD2-OE2 2.67Å; H242-E245 PolarHBondContact CD2-OE2 2.91Å; H242-E245 IonicContact CG-OE2 3.42Å; H242-E245 IonicContact NE2-OE2 2.65Å; H242-E245 PolarHBondContact O-N 2.72Å; E245-L247 PolarHBondContact O-N 3.42Å; E245-R250 HydrophobicContact CG-CB 3.92Å; E245-R250 WeakPolarHBondContact OE1-CD 3.45Å; E245-R250 IonicContact OE1-CZ 2.79Å; E245-R250 IonicContact OE1-NE 3.46Å; E245-R250 PolarHBondContact OE1-NE 2.79Å; E245-R250 IonicContact OE1-NH2 3.83Å
246	C	93.3	Very high	94.2	Very high	82 Å²	82	31.4 Å²	31.4	55%	0.554	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-11.2	170.3	-67.2	0	0	0	0	114.6	H242 A244	H242-C246 PolarHBondContact O-N 3.42Å; H242-C246 PolarHBondContact O-SG 3.41Å; A244-C246 VanDerWaalsContact C-N 3.28Å; A244-C246 PolarHBondContact O-N 3.26Å
247	L	93.6	Very high	94.2	Very high	90 Å²	90	26.5 Å²	26.5	47%	0.471	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	-35.2	-173.6	-65.6	176.2	0	0	0	114.1	F160 R164 H243 A244 E245	F160-L247 HydrophobicContact CE2-CB 3.78Å; F160-L247 HydrophobicContact CE2-CD1 4.17Å; F160-L247 HydrophobicContact CZ-CB 4.33Å; R164-L247 HydrophobicContact CG-CD1 3.98Å; H243-L247 WeakPolarHBondContact CE1-CD1 3.36Å; A244-L247 PolarHBondContact O-N 3.25Å; E245-L247 PolarHBondContact O-N 3.42Å
248	K	94.8	Very high	94.2	Very high	54 Å²	54	26.4 Å²	26.4	24%	0.235	15%	0.147	C	C	.	.	S	Bend	trans	-143.6	142.9	172.9	-78.1	-88.6	-157.6	167.2	0	108.3	E156 F160 A244 I257 F259	E156-K248 WeakPolarHBondContact OE2-CE 3.41Å; E156-K248 IonicContact OE2-NZ 2.82Å; E156-K248 PolarHBondContact OE2-NZ 2.84Å; F160-K248 HydrophobicContact CE2-CB 4.43Å; F160-K248 HydrophobicContact CE2-CG 4.17Å; A244-K248 PolarHBondContact O-N 2.73Å; A244-K248 VanDerWaalsContact O-O 3.12Å; K248-I257 HydrophobicContact CB-CG2 3.44Å; K248-I257 VanDerWaalsContact CB-CG2 3.44Å; K248-I257 HydrophobicContact CG-CG2 4.28Å; K248-F259 PolarHBondContact NZ-O 3.19Å
249	P	95.6	Very high	94	Very high	39 Å²	39	25.2 Å²	25.2	25%	0.253	14%	0.143	S	C	.	.	P	Polyproline II helix	trans	-66.7	143.1	-177.4	24.8	-31.7	0	0	0	112.6	I258 H270	P249-I258 HydrophobicContact CB-CD1 4.45Å; P249-I258 HydrophobicContact CG-CB 4.36Å; P249-I258 HydrophobicContact CG-CD1 4.46Å; P249-I258 WeakPolarHBondContact O-CB 3.38Å; P249-I258 WeakPolarHBondContact O-CG1 3.44Å; P249-I258 PolarHBondContact O-N 2.67Å; P249-H270 HydrophobicContact CB-CB 3.68Å; P249-H270 VanDerWaalsContact CB-CG 3.42Å
250	R	95.1	Very high	93.8	Very high	18 Å²	18	27.3 Å²	27.3	7%	0.068	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-96.1	138.3	173.5	-167.9	-175.8	-61.8	-75.6	-5.6	111.4	D140 R241 E245 A252 D255 I257	D140-R250 IonicContact OD1-CZ 2.77Å; D140-R250 IonicContact OD1-NH1 2.69Å; D140-R250 PolarHBondContact OD1-NH1 2.75Å; D140-R250 IonicContact OD1-NH2 3.69Å; D140-R250 IonicContact OD2-CZ 2.68Å; D140-R250 IonicContact OD2-NH1 3.77Å; D140-R250 PolarHBondContact OD2-NH1 3.03Å; D140-R250 IonicContact OD2-NH2 2.69Å; D140-R250 PolarHBondContact OD2-NH2 2.71Å; R241-R250 VanDerWaalsContact NH2-CD 3.27Å; R241-R250 PolarHBondContact O-NH2 3.41Å; E245-R250 HydrophobicContact CG-CB 3.92Å; E245-R250 WeakPolarHBondContact OE1-CD 3.45Å; E245-R250 IonicContact OE1-CZ 2.79Å; E245-R250 IonicContact OE1-NE 3.46Å; E245-R250 PolarHBondContact OE1-NE 2.79Å; E245-R250 IonicContact OE1-NH2 3.83Å; R250-A252 PolarHBondContact O-N 3.08Å; R250-D255 VanDerWaalsContact CD-O 3.29Å; R250-D255 WeakPolarHBondContact CD-O 3.15Å; R250-D255 WeakPolarHBondContact CD-OD1 3.5Å; R250-D255 PolarHBondContact NH1-O 3.42Å; R250-I257 HydrophobicContact CB-CD1 4.01Å; R250-I257 HydrophobicContact CG-CD1 4.36Å
251	C	93.9	Very high	93.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-78.1	117	176.7	174.6	0	0	0	0	112.5	A253 C254 D255 E256 I258 H270 H272	C251-A253 PolarHBondContact O-N 3.41Å; C251-C254 VanDerWaalsContact CB-SG 3.57Å; C251-C254 PolarHBondContact O-N 3.16Å; C251-D255 WeakPolarHBondContact O-CA 3.3Å; C251-D255 PolarHBondContact O-N 2.84Å; C251-E256 PolarHBondContact N-O 2.91Å; C251-I258 HydrophobicContact CB-CD1 4Å; C251-I258 HydrophobicContact CB-CG1 3.84Å; C251-H270 VanDerWaalsContact CA-O 3.32Å; C251-H270 WeakPolarHBondContact CA-O 3.44Å; C251-H272 WeakPolarHBondContact CB-ND1 3.49Å; C251-H272 PolarHBondContact SG-N 2.8Å; C251-H272 VanDerWaalsContact SG-N 3.39Å; C251-H272 PolarHBondContact SG-ND1 3.08Å
252	A	92	Very high	93.4	Very high	50 Å²	50	38.4 Å²	38.4	41%	0.413	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	1.8	-176.8	0	0	0	0	0	116.3	R250 R269 H270 W271	R250-A252 PolarHBondContact O-N 3.08Å; A252-R269 HydrophobicContact CB-CB 4.21Å; A252-H270 PolarHBondContact N-O 3.45Å; A252-W271 HydrophobicContact CB-CD2 4.12Å; A252-W271 HydrophobicContact CB-CE3 4Å; A252-W271 HydrophobicContact CB-CH2 3.74Å; A252-W271 HydrophobicContact CB-CZ2 3.86Å; A252-W271 HydrophobicContact CB-CZ3 3.81Å
253	A	89.7	Confident	93.2	Very high	18 Å²	18	39.3 Å²	39.3	15%	0.149	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-43.4	173.9	0	0	0	0	0	113.9	W42 R43 K44 C251 W271 H275	W42-A253 HydrophobicContact CE3-CB 4.34Å; W42-A253 HydrophobicContact CZ3-CB 3.71Å; R43-A253 VanDerWaalsContact CA-O 3.29Å; R43-A253 WeakPolarHBondContact CA-O 3.29Å; K44-A253 PolarHBondContact N-O 3.19Å; C251-A253 PolarHBondContact O-N 3.41Å; A253-W271 HydrophobicContact CB-CE3 3.76Å; A253-W271 HydrophobicContact CB-CZ3 3.75Å; A253-H275 HydrophobicContact CB-CB 4.2Å
254	C	90.1	Very high	93.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	2	-175.6	70.7	0	0	0	0	113.2	W42 K44 C251 E256 H272 H275	W42-C254 WeakPolarHBondContact O-CA 3.45Å; W42-C254 WeakPolarHBondContact O-CB 3.4Å; K44-C254 WeakPolarHBondContact CE-O 3.2Å; K44-C254 WeakPolarHBondContact CG-O 3.06Å; C251-C254 VanDerWaalsContact CB-SG 3.57Å; C251-C254 PolarHBondContact O-N 3.16Å; C254-E256 WeakPolarHBondContact O-CG 3.31Å; C254-E256 PolarHBondContact O-N 3.46Å; C254-H272 PolarHBondContact SG-ND1 2.83Å; C254-H272 VanDerWaalsContact SG-ND1 3.41Å; C254-H275 VanDerWaalsContact SG-CE1 3.51Å; C254-H275 PolarHBondContact SG-ND1 3.22Å
255	D	91.2	Very high	93	Very high	39 Å²	39	44.2 Å²	44.2	21%	0.209	25%	0.251	C	S	.	.			trans	55.5	12.9	178.6	-148.8	53.9	0	0	0	116.2	K44 H139 R241 R250 C251	K44-D255 HydrophobicContact CB-CB 4.47Å; K44-D255 HydrophobicContact CG-CB 3.9Å; H139-D255 PolarHBondContact NE2-O 2.89Å; H139-D255 IonicContact NE2-OD2 3.35Å; R241-D255 IonicContact CZ-OD1 3.09Å; R241-D255 IonicContact CZ-OD2 3.3Å; R241-D255 IonicContact NH1-OD1 3.85Å; R241-D255 PolarHBondContact NH1-OD1 3.32Å; R241-D255 IonicContact NH1-OD2 3.67Å; R241-D255 PolarHBondContact NH1-OD2 2.72Å; R241-D255 IonicContact NH2-OD1 3.5Å; R241-D255 PolarHBondContact NH2-OD1 3.5Å; R241-D255 IonicContact NH2-OD2 3.87Å; R250-D255 VanDerWaalsContact CD-O 3.29Å; R250-D255 WeakPolarHBondContact CD-O 3.15Å; R250-D255 WeakPolarHBondContact CD-OD1 3.5Å; R250-D255 PolarHBondContact NH1-O 3.42Å; C251-D255 WeakPolarHBondContact O-CA 3.3Å; C251-D255 PolarHBondContact O-N 2.84Å
256	E	92.8	Very high	92.8	Very high	5 Å²	5	41.4 Å²	41.4	2%	0.023	24%	0.238	C	C	.	.			trans	-100.1	147.5	-179	-73.3	162.5	-145.8	0	0	110.7	K44 H139 C146 N147 C251 C254	K44-E256 WeakPolarHBondContact CE-OE1 3.21Å; K44-E256 IonicContact NZ-OE1 3.4Å; K44-E256 PolarHBondContact NZ-OE1 2.81Å; H139-E256 HydrophobicContact CB-CG 4Å; C146-E256 WeakPolarHBondContact CA-OE2 3.42Å; N147-E256 PolarHBondContact N-OE1 3Å; N147-E256 PolarHBondContact N-OE2 3.36Å; N147-E256 PolarHBondContact ND2-OE1 2.86Å; C251-E256 PolarHBondContact N-O 2.91Å; C254-E256 WeakPolarHBondContact O-CG 3.31Å; C254-E256 PolarHBondContact O-N 3.46Å
257	I	94.7	Very high	92.7	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-66.2	132.2	175	-63.7	-65.4	0	0	0	109.6	A244 K248 R250 F259	A244-I257 HydrophobicContact CB-CD1 3.65Å; A244-I257 HydrophobicContact CB-CG1 4.08Å; K248-I257 HydrophobicContact CB-CG2 3.44Å; K248-I257 VanDerWaalsContact CB-CG2 3.44Å; K248-I257 HydrophobicContact CG-CG2 4.28Å; R250-I257 HydrophobicContact CB-CD1 4.01Å; R250-I257 HydrophobicContact CG-CD1 4.36Å; I257-F259 HydrophobicContact CB-CE2 3.85Å; I257-F259 HydrophobicContact CB-CZ 4.17Å; I257-F259 HydrophobicContact CG2-CD2 4.25Å; I257-F259 HydrophobicContact CG2-CE1 4.23Å; I257-F259 HydrophobicContact CG2-CE2 3.72Å; I257-F259 HydrophobicContact CG2-CZ 3.7Å; I257-F259 WeakPolarHBondContact O-CD2 3.49Å
258	I	94.7	Very high	92.5	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.01	24%	0.243	C	C	.	.			trans	-83.9	114.3	178.2	-52	168.9	0	0	0	107.6	P249 C251 C263 H270	P249-I258 HydrophobicContact CB-CD1 4.45Å; P249-I258 HydrophobicContact CG-CB 4.36Å; P249-I258 HydrophobicContact CG-CD1 4.46Å; P249-I258 WeakPolarHBondContact O-CB 3.38Å; P249-I258 WeakPolarHBondContact O-CG1 3.44Å; P249-I258 PolarHBondContact O-N 2.67Å; C251-I258 HydrophobicContact CB-CD1 4Å; C251-I258 HydrophobicContact CB-CG1 3.84Å; I258-C263 HydrophobicContact CD1-CB 3.92Å; I258-C263 HydrophobicContact CG2-CB 4.05Å; I258-H270 HydrophobicContact CD1-CB 3.93Å
259	F	94.3	Very high	92.4	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.018	25%	0.253	C	S	.	.			trans	-90.6	-38.3	176.4	-73.5	-80.8	0	0	0	112.3	E153 E156 L157 F160 K248 I257	E153-F259 HydrophobicContact CB-CB 4.07Å; E153-F259 HydrophobicContact CG-CB 4.05Å; E156-F259 HydrophobicContact CB-CB 4.48Å; E156-F259 HydrophobicContact CB-CD1 3.59Å; E156-F259 HydrophobicContact CB-CE1 4.2Å; E156-F259 HydrophobicContact CB-CG 4.23Å; L157-F259 HydrophobicContact CB-CD2 4.45Å; L157-F259 HydrophobicContact CB-CE1 4.44Å; L157-F259 HydrophobicContact CB-CE2 3.87Å; L157-F259 HydrophobicContact CB-CZ 3.87Å; L157-F259 HydrophobicContact CD1-CE2 3.83Å; L157-F259 HydrophobicContact CD1-CZ 3.68Å; L157-F259 HydrophobicContact CG-CE2 4.3Å; L157-F259 HydrophobicContact CG-CZ 4.35Å; F160-F259 HydrophobicContact CB-CE1 3.91Å; F160-F259 HydrophobicContact CB-CZ 4.33Å; F160-F259 HydrophobicContact CD1-CE1 4.04Å; F160-F259 AromaticContact CD1-CZ 3.78Å; F160-F259 HydrophobicContact CD1-CZ 3.78Å; F160-F259 HydrophobicContact CD2-CE1 4.41Å; F160-F259 HydrophobicContact CE1-CZ 4.22Å; F160-F259 AromaticContact CG-CE1 3.9Å; F160-F259 HydrophobicContact CG-CE1 3.9Å; F160-F259 HydrophobicContact CG-CZ 4.13Å; K248-F259 PolarHBondContact NZ-O 3.19Å; I257-F259 HydrophobicContact CB-CE2 3.85Å; I257-F259 HydrophobicContact CB-CZ 4.17Å; I257-F259 HydrophobicContact CG2-CD2 4.25Å; I257-F259 HydrophobicContact CG2-CE1 4.23Å; I257-F259 HydrophobicContact CG2-CE2 3.72Å; I257-F259 HydrophobicContact CG2-CZ 3.7Å; I257-F259 WeakPolarHBondContact O-CD2 3.49Å
260	A	91.9	Very high	92.4	Very high	46 Å²	46	45.2 Å²	45.2	38%	0.38	25%	0.254	S	S	.	.	S	Bend	trans	-51.1	145.4	177.5	0	0	0	0	0	114.9	E262	A260-E262 VanDerWaalsContact C-N 3.27Å; A260-E262 PolarHBondContact O-N 2.85Å
261	D	89.5	Confident	92.3	Very high	150 Å²	150	44.9 Å²	44.9	80%	0.802	25%	0.253	S	S	*	.	S	Bend	trans	-63.9	-26.5	-178.8	-59.4	-52	0	0	0	114.2
262	E	91.1	Very high	92.3	Very high	116 Å²	116	46.1 Å²	46.1	54%	0.542	26%	0.259	S	S	.	.			trans	-111	125.9	179.2	-67.3	-168	177.6	0	0	111.7	A260 M273	A260-E262 VanDerWaalsContact C-N 3.27Å; A260-E262 PolarHBondContact O-N 2.85Å; E262-M273 HydrophobicContact CB-CE 4.27Å; E262-M273 HydrophobicContact CB-SD 3.87Å; E262-M273 VanDerWaalsContact OE2-CE 3.29Å; E262-M273 WeakPolarHBondContact OE2-CE 3.27Å
263	C	93	Very high	92.2	Very high	42 Å²	42	48.4 Å²	48.4	28%	0.284	26%	0.262	S	S	.	.			trans	-135	165.7	172.1	74.1	0	0	0	0	110.9	I258 W271	I258-C263 HydrophobicContact CD1-CB 3.92Å; I258-C263 HydrophobicContact CG2-CB 4.05Å; C263-W271 WeakPolarHBondContact CB-O 3.47Å
264	T	93.6	Very high	92.2	Very high	25 Å²	25	55.2 Å²	55.2	15%	0.153	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	127.2	172.5	-52.3	0	0	0	0	109.2	H270 W271 F276	T264-H270 CarbonylContact O-C 3.53Å; T264-H270 WeakPolarHBondContact O-CA 3.4Å; T264-W271 PolarHBondContact N-O 2.76Å; T264-W271 PolarHBondContact O-N 2.89Å; T264-F276 HydrophobicContact CG2-CB 4.13Å; T264-F276 HydrophobicContact CG2-CD1 3.65Å; T264-F276 HydrophobicContact CG2-CD2 4.39Å; T264-F276 HydrophobicContact CG2-CE1 4.14Å; T264-F276 HydrophobicContact CG2-CG 3.79Å
265	E	93.4	Very high	92.3	Very high	82 Å²	82	56.5 Å²	56.5	38%	0.383	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	133.8	169.7	-165.5	-172.4	168.7	0	0	109.6	R269	E265-R269 WeakPolarHBondContact CA-O 3.3Å
266	A	91.1	Very high	92.5	Very high	4 Å²	4	54.7 Å²	54.7	3%	0.033	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	130.8	177.1	0	0	0	0	0	109.9	G268 R269 F276 Y290	A266-G268 VanDerWaalsContact C-N 3.26Å; A266-G268 PolarHBondContact O-N 3.23Å; A266-R269 PolarHBondContact N-O 2.83Å; A266-R269 WeakPolarHBondContact O-CA 3.2Å; A266-R269 WeakPolarHBondContact O-CB 3.45Å; A266-R269 PolarHBondContact O-N 3.12Å; A266-F276 HydrophobicContact CB-CD2 4.41Å; A266-F276 HydrophobicContact CB-CE2 3.59Å; A266-F276 HydrophobicContact CB-CZ 3.83Å; A266-Y290 HydrophobicContact CB-CE2 4.32Å; A266-Y290 WeakPolarHBondContact CB-OH 3.44Å
267	E	90.1	Very high	92.6	Very high	107 Å²	107	54.6 Å²	54.6	50%	0.5	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	39.4	-176.4	-56.3	-63	150.2	0	0	113.5	R269 M292	E267-R269 PolarHBondContact O-N 3.01Å; E267-M292 HydrophobicContact CB-CE 3.97Å; E267-M292 HydrophobicContact CG-CB 4.06Å; E267-M292 HydrophobicContact CG-CE 3.7Å; E267-M292 HydrophobicContact CG-CG 3.65Å
268	G	89.9	Confident	92.6	Very high	61 Å²	61	54.4 Å²	54.4	63%	0.629	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	14.8	-175.1	0	0	0	0	0	114.6	A266	A266-G268 VanDerWaalsContact C-N 3.26Å; A266-G268 PolarHBondContact O-N 3.23Å
269	R	92.6	Very high	92.5	Very high	116 Å²	116	55.7 Å²	55.7	44%	0.438	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	141.9	178.3	-59.3	178	-174.5	-163	-3	110.6	A252 E265 A266 E267 W271 G295	A252-R269 HydrophobicContact CB-CB 4.21Å; E265-R269 WeakPolarHBondContact CA-O 3.3Å; A266-R269 PolarHBondContact N-O 2.83Å; A266-R269 WeakPolarHBondContact O-CA 3.2Å; A266-R269 WeakPolarHBondContact O-CB 3.45Å; A266-R269 PolarHBondContact O-N 3.12Å; E267-R269 PolarHBondContact O-N 3.01Å; R269-W271 HydrophobicContact CB-CZ2 4.26Å; R269-W271 VanDerWaalsContact O-CD1 3.26Å; R269-W271 PolarHBondContact O-NE1 3.12Å; R269-G295 PolarHBondContact NH1-O 2.95Å
270	H	94.8	Very high	92.4	Very high	60 Å²	60	60.8 Å²	60.8	28%	0.278	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	148.4	179.5	-59.9	83.9	0	0	0	111.3	P249 C251 A252 I258 T264	P249-H270 HydrophobicContact CB-CB 3.68Å; P249-H270 VanDerWaalsContact CB-CG 3.42Å; C251-H270 VanDerWaalsContact CA-O 3.32Å; C251-H270 WeakPolarHBondContact CA-O 3.44Å; A252-H270 PolarHBondContact N-O 3.45Å; I258-H270 HydrophobicContact CD1-CB 3.93Å; T264-H270 CarbonylContact O-C 3.53Å; T264-H270 WeakPolarHBondContact O-CA 3.4Å
271	W	94.2	Very high	92.5	Very high	11 Å²	11	61.2 Å²	61.2	4%	0.042	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	140.1	-179.1	-46.4	80.6	0	0	0	109.9	A252 A253 C263 T264 R269 F276 M292	A252-W271 HydrophobicContact CB-CD2 4.12Å; A252-W271 HydrophobicContact CB-CE3 4Å; A252-W271 HydrophobicContact CB-CH2 3.74Å; A252-W271 HydrophobicContact CB-CZ2 3.86Å; A252-W271 HydrophobicContact CB-CZ3 3.81Å; A253-W271 HydrophobicContact CB-CE3 3.76Å; A253-W271 HydrophobicContact CB-CZ3 3.75Å; C263-W271 WeakPolarHBondContact CB-O 3.47Å; T264-W271 PolarHBondContact N-O 2.76Å; T264-W271 PolarHBondContact O-N 2.89Å; R269-W271 HydrophobicContact CB-CZ2 4.26Å; R269-W271 VanDerWaalsContact O-CD1 3.26Å; R269-W271 PolarHBondContact O-NE1 3.12Å; W271-F276 HydrophobicContact CB-CB 3.87Å; W271-F276 HydrophobicContact CB-CD2 4.36Å; W271-F276 AromaticContact CD1-CD2 3.73Å; W271-F276 AromaticContact CD2-CD2 3.97Å; W271-F276 HydrophobicContact CD2-CD2 3.97Å; W271-F276 HydrophobicContact CG-CB 4.22Å; W271-F276 AromaticContact CG-CD2 3.79Å; W271-F276 HydrophobicContact CG-CD2 3.79Å; W271-F276 HydrophobicContact CG-CG 4.42Å; W271-F276 AromaticContact NE1-CD2 3.92Å; W271-M292 HydrophobicContact CZ2-CE 4.23Å
272	H	92.8	Very high	92.6	Very high	27 Å²	27	57.4 Å²	57.4	13%	0.125	29%	0.289	C	S	.	.			trans	-58.8	142.7	162.6	-66.5	98.7	0	0	0	108.8	C251 C254 K274 H275 F276	C251-H272 WeakPolarHBondContact CB-ND1 3.49Å; C251-H272 PolarHBondContact SG-N 2.8Å; C251-H272 VanDerWaalsContact SG-N 3.39Å; C251-H272 PolarHBondContact SG-ND1 3.08Å; C254-H272 PolarHBondContact SG-ND1 2.83Å; C254-H272 VanDerWaalsContact SG-ND1 3.41Å; H272-K274 PolarHBondContact O-N 3.36Å; H272-K274 VanDerWaalsContact O-N 3.11Å; H272-H275 HydrophobicContact CB-CB 4.05Å; H272-H275 AromaticContact CG-ND1 3.84Å; H272-H275 AromaticContact ND1-CE1 3.99Å; H272-H275 AromaticContact ND1-ND1 3.48Å; H272-H275 PolarHBondContact ND1-ND1 3.09Å; H272-H275 WeakPolarHBondContact O-CA 3.44Å; H272-H275 WeakPolarHBondContact O-CB 3.43Å; H272-H275 PolarHBondContact O-N 2.81Å; H272-F276 PolarHBondContact O-N 3.34Å; H272-F276 VanDerWaalsContact O-N 3.13Å
273	M	90.9	Very high	92.7	Very high	97 Å²	97	55.8 Å²	55.8	48%	0.478	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-35.8	-177.3	-54.5	173.6	94	0	0	113	E262 H275	E262-M273 HydrophobicContact CB-CE 4.27Å; E262-M273 HydrophobicContact CB-SD 3.87Å; E262-M273 VanDerWaalsContact OE2-CE 3.29Å; E262-M273 WeakPolarHBondContact OE2-CE 3.27Å; M273-H275 VanDerWaalsContact C-N 3.26Å; M273-H275 PolarHBondContact O-N 2.86Å
274	K	90.4	Very high	92.7	Very high	161 Å²	161	57.5 Å²	57.5	70%	0.7	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-7.4	177.7	-60.7	168.6	-173.2	160.5	0	113.7	H272 C277	H272-K274 PolarHBondContact O-N 3.36Å; H272-K274 VanDerWaalsContact O-N 3.11Å; K274-C277 PolarHBondContact O-SG 2.88Å
275	H	92.4	Very high	92.7	Very high	27 Å²	27	56.4 Å²	56.4	13%	0.125	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.1	-17.7	-174.2	-66.3	170.1	0	0	0	113.6	W42 A253 C254 H272 M273 C277	W42-H275 AromaticContact CD2-CD2 3.57Å; W42-H275 AromaticContact CD2-NE2 3.85Å; W42-H275 HydrophobicContact CE3-CB 3.96Å; W42-H275 AromaticContact CE3-CD2 3.2Å; W42-H275 AromaticContact CE3-CG 3.48Å; W42-H275 VanDerWaalsContact CE3-CG 3.48Å; W42-H275 AromaticContact CE3-NE2 3.69Å; W42-H275 AromaticContact CG-NE2 3.92Å; W42-H275 HydrophobicContact CH2-CB 4.21Å; W42-H275 HydrophobicContact CZ3-CB 3.48Å; W42-H275 VanDerWaalsContact CZ3-CB 3.48Å; W42-H275 AromaticContact CZ3-CD2 3.57Å; W42-H275 AromaticContact CZ3-CG 3.57Å; A253-H275 HydrophobicContact CB-CB 4.2Å; C254-H275 VanDerWaalsContact SG-CE1 3.51Å; C254-H275 PolarHBondContact SG-ND1 3.22Å; H272-H275 HydrophobicContact CB-CB 4.05Å; H272-H275 AromaticContact CG-ND1 3.84Å; H272-H275 AromaticContact ND1-CE1 3.99Å; H272-H275 AromaticContact ND1-ND1 3.48Å; H272-H275 PolarHBondContact ND1-ND1 3.09Å; H272-H275 WeakPolarHBondContact O-CA 3.44Å; H272-H275 WeakPolarHBondContact O-CB 3.43Å; H272-H275 PolarHBondContact O-N 2.81Å; M273-H275 VanDerWaalsContact C-N 3.26Å; M273-H275 PolarHBondContact O-N 2.86Å; H275-C277 PolarHBondContact O-N 2.83Å
276	F	94.8	Very high	92.4	Very high	1 Å²	1	54.4 Å²	54.4	0%	0.004	29%	0.291	C	S	.	.			trans	-73.7	76.4	167.5	-170.1	-113.3	0	0	0	110.2	T264 A266 W271 H272 L285 Y290 P297	T264-F276 HydrophobicContact CG2-CB 4.13Å; T264-F276 HydrophobicContact CG2-CD1 3.65Å; T264-F276 HydrophobicContact CG2-CD2 4.39Å; T264-F276 HydrophobicContact CG2-CE1 4.14Å; T264-F276 HydrophobicContact CG2-CG 3.79Å; A266-F276 HydrophobicContact CB-CD2 4.41Å; A266-F276 HydrophobicContact CB-CE2 3.59Å; A266-F276 HydrophobicContact CB-CZ 3.83Å; W271-F276 HydrophobicContact CB-CB 3.87Å; W271-F276 HydrophobicContact CB-CD2 4.36Å; W271-F276 AromaticContact CD1-CD2 3.73Å; W271-F276 AromaticContact CD2-CD2 3.97Å; W271-F276 HydrophobicContact CD2-CD2 3.97Å; W271-F276 HydrophobicContact CG-CB 4.22Å; W271-F276 AromaticContact CG-CD2 3.79Å; W271-F276 HydrophobicContact CG-CD2 3.79Å; W271-F276 HydrophobicContact CG-CG 4.42Å; W271-F276 AromaticContact NE1-CD2 3.92Å; H272-F276 PolarHBondContact O-N 3.34Å; H272-F276 VanDerWaalsContact O-N 3.13Å; F276-L285 HydrophobicContact CD1-CB 3.58Å; F276-L285 HydrophobicContact CE1-CB 3.43Å; F276-L285 VanDerWaalsContact CE1-CB 3.43Å; F276-L285 HydrophobicContact CG-CB 4.48Å; F276-L285 HydrophobicContact CZ-CB 4.23Å; F276-L285 PolarHBondContact O-N 2.76Å; F276-Y290 HydrophobicContact CE1-CD1 4.03Å; F276-Y290 HydrophobicContact CE1-CE1 4.15Å; F276-Y290 HydrophobicContact CE1-CG 4.38Å; F276-Y290 AromaticContact CZ-CD1 3.83Å; F276-Y290 HydrophobicContact CZ-CD1 3.83Å; F276-Y290 AromaticContact CZ-CD2 3.88Å; F276-Y290 HydrophobicContact CZ-CD2 3.88Å; F276-Y290 AromaticContact CZ-CE1 3.8Å; F276-Y290 HydrophobicContact CZ-CE1 3.8Å; F276-Y290 AromaticContact CZ-CE2 3.84Å; F276-Y290 HydrophobicContact CZ-CE2 3.84Å; F276-Y290 AromaticContact CZ-CG 3.88Å; F276-Y290 HydrophobicContact CZ-CG 3.88Å; F276-Y290 AromaticContact CZ-CZ 3.81Å; F276-P297 HydrophobicContact CD2-CG 4.43Å; F276-P297 HydrophobicContact CE2-CB 3.95Å; F276-P297 HydrophobicContact CE2-CG 4.24Å; F276-P297 HydrophobicContact CZ-CB 4.39Å
277	C	94.6	Very high	92.1	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.02	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-133.5	145.2	-171.5	-54.5	0	0	0	0	110.4	W42 R43 K274 H275 F279 E282 T283	W42-C277 HydrophobicContact CH2-CB 4.26Å; R43-C277 PolarHBondContact NH2-O 2.85Å; R43-C277 VanDerWaalsContact NH2-O 3.08Å; K274-C277 PolarHBondContact O-SG 2.88Å; H275-C277 PolarHBondContact O-N 2.83Å; C277-F279 PolarHBondContact O-N 2.56Å; C277-E282 WeakPolarHBondContact CB-O 3.44Å; C277-T283 CarbonylContact C-O 3.6Å; C277-T283 WeakPolarHBondContact CA-O 3.31Å
278	C	94.8	Very high	92.1	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.313	C	S	.	.			trans	-46.7	131.7	177.1	179.9	0	0	0	0	111	R43 E280 C281 E282 T283 L285 P297 C299	R43-C278 PolarHBondContact NH2-O 3.14Å; C278-E280 PolarHBondContact O-N 2.93Å; C278-C281 VanDerWaalsContact CB-SG 3.51Å; C278-C281 PolarHBondContact SG-SG 3.35Å; C278-E282 WeakPolarHBondContact O-CA 3.33Å; C278-E282 PolarHBondContact O-N 1.75Å; C278-E282 VanDerWaalsContact O-N 3.14Å; C278-T283 PolarHBondContact N-O 3.37Å; C278-L285 HydrophobicContact CB-CD1 4.3Å; C278-L285 HydrophobicContact CB-CD2 4.44Å; C278-L285 HydrophobicContact CB-CG 4.47Å; C278-P297 CarbonylContact C-O 3.54Å; C278-P297 WeakPolarHBondContact CA-O 3.37Å; C278-C299 HydrophobicContact CB-CB 4.32Å; C278-C299 PolarHBondContact SG-N 3.18Å; C278-C299 VanDerWaalsContact SG-N 3.36Å
279	F	92.6	Very high	92.1	Very high	29 Å²	29	60.4 Å²	60.4	13%	0.127	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-41.5	-176.7	-164.1	-101.8	0	0	0	111.4	R43 I45 K50 C277 R296 P297 Y298	R43-F279 PolarHBondContact NH1-O 3.42Å; I45-F279 HydrophobicContact CD1-CE2 4.08Å; I45-F279 HydrophobicContact CD1-CZ 4.07Å; K50-F279 HydrophobicContact CB-CE1 4.24Å; K50-F279 HydrophobicContact CB-CZ 3.98Å; K50-F279 HydrophobicContact CG-CE1 4.17Å; K50-F279 HydrophobicContact CG-CZ 4.34Å; C277-F279 PolarHBondContact O-N 2.56Å; F279-R296 HydrophobicContact CB-CB 4.28Å; F279-R296 HydrophobicContact CD2-CB 4Å; F279-R296 HydrophobicContact CD2-CG 3.86Å; F279-R296 HydrophobicContact CE2-CG 3.95Å; F279-R296 HydrophobicContact CG-CB 4.14Å; F279-R296 HydrophobicContact CG-CG 4.31Å; F279-R296 HydrophobicContact CZ-CG 4.46Å; F279-P297 PolarHBondContact N-O 3.38Å; F279-Y298 HydrophobicContact CB-CD1 4.41Å; F279-Y298 HydrophobicContact CB-CE1 4Å; F279-Y298 HydrophobicContact CB-CE2 4.4Å
280	E	92.1	Very high	92.2	Very high	112 Å²	112	56.5 Å²	56.5	52%	0.523	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-61.2	-177	-167.3	59.1	-149.8	0	0	113.1	C278 C302 L306	C278-E280 PolarHBondContact O-N 2.93Å; E280-C302 HydrophobicContact CB-CB 4.23Å; E280-L306 HydrophobicContact CB-CD1 4.44Å; E280-L306 HydrophobicContact CG-CD1 4.26Å
281	C	93.1	Very high	92.1	Very high	54 Å²	54	55.5 Å²	55.5	37%	0.365	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	9	-169.8	67.9	0	0	0	0	115.6	C278 T283	C278-C281 VanDerWaalsContact CB-SG 3.51Å; C278-C281 PolarHBondContact SG-SG 3.35Å; C281-T283 PolarHBondContact O-N 3.15Å; C281-T283 PolarHBondContact O-OG1 2.94Å; C281-T283 PolarHBondContact SG-OG1 2.76Å; C281-T283 VanDerWaalsContact SG-OG1 3.42Å
282	E	91.4	Very high	92.1	Very high	70 Å²	70	56.9 Å²	56.9	33%	0.327	30%	0.297	S	S	.	.			trans	53.1	9.3	-178.4	-59.8	-170.6	171.8	0	0	115.8	H40 K41 C277 C278	H40-E282 IonicContact CD2-OE1 3.37Å; H40-E282 IonicContact CE1-OE1 2.76Å; H40-E282 PolarHBondContact CE1-OE1 3.2Å; H40-E282 CovalentContact NE2-OE1 1.75Å; H40-E282 IonicContact NE2-OE1 2.7Å; H40-E282 PolarHBondContact NE2-OE1 3.17Å; H40-E282 IonicContact NE2-OE2 3.5Å; K41-E282 IonicContact NZ-OE2 2.59Å; C277-E282 WeakPolarHBondContact CB-O 3.44Å; C278-E282 WeakPolarHBondContact O-CA 3.33Å; C278-E282 PolarHBondContact O-N 1.75Å; C278-E282 VanDerWaalsContact O-N 3.14Å
283	T	93.3	Very high	92	Very high	83 Å²	83	58.8 Å²	58.8	51%	0.509	30%	0.304	S	S	.	.			trans	-72.4	131	-179.4	-61.1	0	0	0	0	111	C277 C278 C281	C277-T283 CarbonylContact C-O 3.6Å; C277-T283 WeakPolarHBondContact CA-O 3.31Å; C278-T283 PolarHBondContact N-O 3.37Å; C281-T283 PolarHBondContact O-N 3.15Å; C281-T283 PolarHBondContact O-OG1 2.94Å; C281-T283 PolarHBondContact SG-OG1 2.76Å; C281-T283 VanDerWaalsContact SG-OG1 3.42Å
284	V	93.3	Very high	91.9	Very high	78 Å²	78	61.1 Å²	61.1	47%	0.473	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-60.6	133.9	178	-178.9	0	0	0	0	110.7
285	L	94.2	Very high	91.7	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.01	29%	0.29	C	S	.	.			trans	-107.2	-2.6	-174.5	-67.1	171.9	0	0	0	114	F276 C278 G287 Q288 P297 C299	F276-L285 HydrophobicContact CD1-CB 3.58Å; F276-L285 HydrophobicContact CE1-CB 3.43Å; F276-L285 VanDerWaalsContact CE1-CB 3.43Å; F276-L285 HydrophobicContact CG-CB 4.48Å; F276-L285 HydrophobicContact CZ-CB 4.23Å; F276-L285 PolarHBondContact O-N 2.76Å; C278-L285 HydrophobicContact CB-CD1 4.3Å; C278-L285 HydrophobicContact CB-CD2 4.44Å; C278-L285 HydrophobicContact CB-CG 4.47Å; L285-G287 PolarHBondContact O-N 3.09Å; L285-G287 VanDerWaalsContact O-N 3.16Å; L285-Q288 WeakPolarHBondContact O-CB 3.19Å; L285-Q288 PolarHBondContact O-N 2.94Å; L285-P297 HydrophobicContact CD1-CB 3.69Å; L285-P297 HydrophobicContact CD1-CG 4.3Å; L285-C299 HydrophobicContact CD2-CB 3.69Å
286	G	88.3	Confident	91.6	Very high	39 Å²	39	56.9 Å²	56.9	40%	0.402	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	117.3	179.4	0	0	0	0	0	112	Q288	G286-Q288 PolarHBondContact O-N 3.47Å
287	G	83.7	Confident	91.6	Very high	42 Å²	42	57.1 Å²	57.1	43%	0.433	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	12.4	-175.1	0	0	0	0	0	114.9	L285	L285-G287 PolarHBondContact O-N 3.09Å; L285-G287 VanDerWaalsContact O-N 3.16Å
288	Q	89.3	Confident	91.6	Very high	119 Å²	119	57.3 Å²	57.3	56%	0.556	30%	0.3	S	S	*	.	S	Bend	trans	-106.4	165.5	171.8	-62.7	-61.1	-42.3	0	0	110.5	L285 G286 Q536	L285-Q288 WeakPolarHBondContact O-CB 3.19Å; L285-Q288 PolarHBondContact O-N 2.94Å; G286-Q288 PolarHBondContact O-N 3.47Å; Q288-Q536 PolarHBondContact O-NE2 3.13Å
289	R	91.7	Very high	91.6	Very high	137 Å²	137	58.3 Å²	58.3	52%	0.517	31%	0.308	S	S	.	.			trans	-77.7	135.5	168.9	-66.4	-179.1	66.9	-143	3.2	110.1	D321	R289-D321 IonicContact CZ-OD1 3.79Å; R289-D321 IonicContact CZ-OD2 2.71Å; R289-D321 IonicContact NH1-OD1 3.39Å; R289-D321 PolarHBondContact NH1-OD1 3.17Å; R289-D321 IonicContact NH1-OD2 3.76Å; R289-D321 PolarHBondContact NH1-OD2 2.86Å; R289-D321 IonicContact NH2-OD1 3.69Å; R289-D321 PolarHBondContact NH2-OD1 3.49Å
290	Y	93.9	Very high	91.5	Very high	34 Å²	34	58.1 Å²	58.1	13%	0.133	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	162.5	-179.3	68.2	-85.5	0	0	0	110.5	A266 F276 M292 Y298	A266-Y290 HydrophobicContact CB-CE2 4.32Å; A266-Y290 WeakPolarHBondContact CB-OH 3.44Å; F276-Y290 HydrophobicContact CE1-CD1 4.03Å; F276-Y290 HydrophobicContact CE1-CE1 4.15Å; F276-Y290 HydrophobicContact CE1-CG 4.38Å; F276-Y290 AromaticContact CZ-CD1 3.83Å; F276-Y290 HydrophobicContact CZ-CD1 3.83Å; F276-Y290 AromaticContact CZ-CD2 3.88Å; F276-Y290 HydrophobicContact CZ-CD2 3.88Å; F276-Y290 AromaticContact CZ-CE1 3.8Å; F276-Y290 HydrophobicContact CZ-CE1 3.8Å; F276-Y290 AromaticContact CZ-CE2 3.84Å; F276-Y290 HydrophobicContact CZ-CE2 3.84Å; F276-Y290 AromaticContact CZ-CG 3.88Å; F276-Y290 HydrophobicContact CZ-CG 3.88Å; F276-Y290 AromaticContact CZ-CZ 3.81Å; Y290-M292 HydrophobicContact CD2-CG 3.9Å; Y290-M292 HydrophobicContact CE2-CG 3.65Å; Y290-Y298 CarbonylContact C-O 3.4Å; Y290-Y298 WeakPolarHBondContact CA-O 3.23Å; Y290-Y298 WeakPolarHBondContact CB-O 3.4Å
291	I	92.8	Very high	91.5	Very high	40 Å²	40	59.2 Å²	59.2	21%	0.205	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	136.5	169.5	-64.5	173.6	0	0	0	108.3	Y298 F303 I320	I291-Y298 PolarHBondContact N-O 3.38Å; I291-Y298 PolarHBondContact O-N 3.14Å; I291-F303 HydrophobicContact CB-CD2 3.83Å; I291-F303 HydrophobicContact CB-CE2 4.18Å; I291-F303 HydrophobicContact CB-CG 4.2Å; I291-F303 HydrophobicContact CD1-CB 4.24Å; I291-F303 HydrophobicContact CD1-CD1 3.58Å; I291-F303 HydrophobicContact CD1-CD2 4.09Å; I291-F303 HydrophobicContact CD1-CE1 3.91Å; I291-F303 HydrophobicContact CD1-CE2 4.39Å; I291-F303 HydrophobicContact CD1-CG 3.69Å; I291-F303 HydrophobicContact CD1-CZ 4.3Å; I291-F303 HydrophobicContact CG2-CD2 3.64Å; I291-F303 HydrophobicContact CG2-CE2 3.46Å; I291-F303 VanDerWaalsContact CG2-CE2 3.46Å; I291-F303 HydrophobicContact CG2-CG 4.34Å; I291-F303 HydrophobicContact CG2-CZ 4.01Å; I291-I320 HydrophobicContact CD1-CD1 3.44Å; I291-I320 VanDerWaalsContact CD1-CD1 3.44Å; I291-I320 HydrophobicContact CD1-CG1 3.73Å; I291-I320 HydrophobicContact CD1-CG2 4.01Å
292	M	93.2	Very high	91.6	Very high	40 Å²	40	57.4 Å²	57.4	20%	0.197	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	122.5	173.8	-74.8	-77.4	-84.1	0	0	110	E267 W271 Y290 P297	E267-M292 HydrophobicContact CB-CE 3.97Å; E267-M292 HydrophobicContact CG-CB 4.06Å; E267-M292 HydrophobicContact CG-CE 3.7Å; E267-M292 HydrophobicContact CG-CG 3.65Å; W271-M292 HydrophobicContact CZ2-CE 4.23Å; Y290-M292 HydrophobicContact CD2-CG 3.9Å; Y290-M292 HydrophobicContact CE2-CG 3.65Å; M292-P297 VanDerWaalsContact SD-CA 3.54Å; M292-P297 HydrophobicContact SD-CB 3.61Å; M292-P297 HydrophobicContact SD-CG 4.32Å
293	K	90.6	Very high	91.6	Very high	66 Å²	66	56.1 Å²	56.1	29%	0.287	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	128	173.1	178.7	171	175.3	171.2	0	108.7	G295 R296 Y298 F303 Y307	K293-G295 PolarHBondContact O-N 3.21Å; K293-G295 VanDerWaalsContact O-N 3.09Å; K293-R296 PolarHBondContact N-O 3.39Å; K293-R296 WeakPolarHBondContact O-CB 3.27Å; K293-R296 PolarHBondContact O-N 2.85Å; K293-Y298 HydrophobicContact CB-CD2 4.29Å; K293-Y298 HydrophobicContact CB-CE2 4.1Å; K293-F303 HydrophobicContact CB-CE2 4.33Å; K293-F303 HydrophobicContact CD-CE2 4.23Å; K293-Y307 HydrophobicContact CD-CD2 4.18Å; K293-Y307 HydrophobicContact CD-CE1 4.31Å; K293-Y307 HydrophobicContact CD-CE2 3.81Å; K293-Y307 VanDerWaalsContact NZ-CD1 3.26Å
294	E	88.8	Confident	91.5	Very high	146 Å²	146	54.4 Å²	54.4	68%	0.682	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	30.9	-177.9	-62.6	147.8	-134	0	0	113	R296	E294-R296 VanDerWaalsContact C-N 3.25Å; E294-R296 PolarHBondContact O-N 3.45Å
295	G	86.9	Confident	91.3	Very high	19 Å²	19	54.4 Å²	54.4	20%	0.196	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	10.8	-175.7	0	0	0	0	0	115.4	R269 K293	R269-G295 PolarHBondContact NH1-O 2.95Å; K293-G295 PolarHBondContact O-N 3.21Å; K293-G295 VanDerWaalsContact O-N 3.09Å
296	R	90.6	Very high	91	Very high	81 Å²	81	58.3 Å²	58.3	31%	0.306	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	131.1	175.5	-63	170.3	173.6	173.7	-3.9	109.8	F279 K293 E294 Y298	F279-R296 HydrophobicContact CB-CB 4.28Å; F279-R296 HydrophobicContact CD2-CB 4Å; F279-R296 HydrophobicContact CD2-CG 3.86Å; F279-R296 HydrophobicContact CE2-CG 3.95Å; F279-R296 HydrophobicContact CG-CB 4.14Å; F279-R296 HydrophobicContact CG-CG 4.31Å; F279-R296 HydrophobicContact CZ-CG 4.46Å; K293-R296 PolarHBondContact N-O 3.39Å; K293-R296 WeakPolarHBondContact O-CB 3.27Å; K293-R296 PolarHBondContact O-N 2.85Å; E294-R296 VanDerWaalsContact C-N 3.25Å; E294-R296 PolarHBondContact O-N 3.45Å; R296-Y298 HydrophobicContact CB-CE2 3.8Å; R296-Y298 VanDerWaalsContact O-CD2 3.31Å; R296-Y298 WeakPolarHBondContact O-CD2 3.5Å; R296-Y298 WeakPolarHBondContact O-CE2 3.48Å
297	P	94.1	Very high	91	Very high	5 Å²	5	60.2 Å²	60.2	3%	0.032	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	136.9	178.9	32.5	-34.3	0	0	0	111.7	F276 C278 F279 L285 M292	F276-P297 HydrophobicContact CD2-CG 4.43Å; F276-P297 HydrophobicContact CE2-CB 3.95Å; F276-P297 HydrophobicContact CE2-CG 4.24Å; F276-P297 HydrophobicContact CZ-CB 4.39Å; C278-P297 CarbonylContact C-O 3.54Å; C278-P297 WeakPolarHBondContact CA-O 3.37Å; F279-P297 PolarHBondContact N-O 3.38Å; L285-P297 HydrophobicContact CD1-CB 3.69Å; L285-P297 HydrophobicContact CD1-CG 4.3Å; M292-P297 VanDerWaalsContact SD-CA 3.54Å; M292-P297 HydrophobicContact SD-CB 3.61Å; M292-P297 HydrophobicContact SD-CG 4.32Å
298	Y	94.3	Very high	91.1	Very high	7 Å²	7	58.9 Å²	58.9	3%	0.027	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	142.7	175.6	-66.2	-97.3	0	0	0	110	F279 Y290 I291 K293 R296 L306 Y307	F279-Y298 HydrophobicContact CB-CD1 4.41Å; F279-Y298 HydrophobicContact CB-CE1 4Å; F279-Y298 HydrophobicContact CB-CE2 4.4Å; Y290-Y298 CarbonylContact C-O 3.4Å; Y290-Y298 WeakPolarHBondContact CA-O 3.23Å; Y290-Y298 WeakPolarHBondContact CB-O 3.4Å; I291-Y298 PolarHBondContact N-O 3.38Å; I291-Y298 PolarHBondContact O-N 3.14Å; K293-Y298 HydrophobicContact CB-CD2 4.29Å; K293-Y298 HydrophobicContact CB-CE2 4.1Å; R296-Y298 HydrophobicContact CB-CE2 3.8Å; R296-Y298 VanDerWaalsContact O-CD2 3.31Å; R296-Y298 WeakPolarHBondContact O-CD2 3.5Å; R296-Y298 WeakPolarHBondContact O-CE2 3.48Å; Y298-L306 HydrophobicContact CD1-CD1 4.38Å; Y298-L306 HydrophobicContact CE1-CD1 4.07Å; Y298-Y307 HydrophobicContact CD1-CE2 4.45Å; Y298-Y307 HydrophobicContact CE1-CE2 4.25Å; Y298-Y307 PolarHBondContact OH-OH 3.49Å
299	C	94.9	Very high	91.1	Very high	22 Å²	22	57.8 Å²	57.8	15%	0.149	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	152.2	163.7	66.1	0	0	0	0	109.7	C278 L285 H301 C302 F303	C278-C299 HydrophobicContact CB-CB 4.32Å; C278-C299 PolarHBondContact SG-N 3.18Å; C278-C299 VanDerWaalsContact SG-N 3.36Å; L285-C299 HydrophobicContact CD2-CB 3.69Å; C299-H301 VanDerWaalsContact C-N 3.26Å; C299-H301 PolarHBondContact O-N 3.49Å; C299-C302 PolarHBondContact O-N 3.32Å; C299-C302 VanDerWaalsContact O-N 3.12Å; C299-C302 PolarHBondContact SG-N 2.84Å; C299-F303 PolarHBondContact O-N 2.81Å
300	C	91.9	Very high	91.1	Very high	24 Å²	24	57.5 Å²	57.5	16%	0.162	28%	0.281	C	S	.	.	H	α-helix	trans	-49.5	-45.7	179.9	-60.2	0	0	0	0	112.5	C302 F303 E304 I320	C300-C302 PolarHBondContact O-N 3.12Å; C300-F303 PolarHBondContact O-N 3.47Å; C300-E304 WeakPolarHBondContact O-CG 3.29Å; C300-E304 PolarHBondContact O-N 3.19Å; C300-I320 HydrophobicContact CB-CD1 3.6Å
301	H	91.7	Very high	91.1	Very high	136 Å²	136	55.9 Å²	55.9	63%	0.63	27%	0.274	S	S	*	.	H	α-helix	trans	-61.9	-42.9	-180	180	54.8	0	0	0	114.2	C299 S305	C299-H301 VanDerWaalsContact C-N 3.26Å; C299-H301 PolarHBondContact O-N 3.49Å; H301-S305 VanDerWaalsContact O-CB 3.29Å; H301-S305 WeakPolarHBondContact O-CB 3.16Å; H301-S305 PolarHBondContact O-N 3.36Å
302	C	94.3	Very high	91	Very high	15 Å²	15	58.7 Å²	58.7	10%	0.101	29%	0.29	C	S	.	.	H	α-helix	trans	-72.5	-33.8	175.9	-73	0	0	0	0	111.7	E280 C299 C300 L306	E280-C302 HydrophobicContact CB-CB 4.23Å; C299-C302 PolarHBondContact O-N 3.32Å; C299-C302 VanDerWaalsContact O-N 3.12Å; C299-C302 PolarHBondContact SG-N 2.84Å; C300-C302 PolarHBondContact O-N 3.12Å; C302-L306 WeakPolarHBondContact O-CB 3.49Å; C302-L306 VanDerWaalsContact O-CG 3.22Å; C302-L306 WeakPolarHBondContact O-CG 3.49Å; C302-L306 PolarHBondContact O-N 3.45Å; C302-L306 VanDerWaalsContact O-N 3.11Å
303	F	93.1	Very high	90.9	Very high	43 Å²	43	60.1 Å²	60.1	19%	0.189	30%	0.301	C	S	.	.	H	α-helix	trans	-64.2	-45.1	174.5	-171.2	-83.4	0	0	0	111.2	I291 K293 C299 C300 L306 Y307 I320	I291-F303 HydrophobicContact CB-CD2 3.83Å; I291-F303 HydrophobicContact CB-CE2 4.18Å; I291-F303 HydrophobicContact CB-CG 4.2Å; I291-F303 HydrophobicContact CD1-CB 4.24Å; I291-F303 HydrophobicContact CD1-CD1 3.58Å; I291-F303 HydrophobicContact CD1-CD2 4.09Å; I291-F303 HydrophobicContact CD1-CE1 3.91Å; I291-F303 HydrophobicContact CD1-CE2 4.39Å; I291-F303 HydrophobicContact CD1-CG 3.69Å; I291-F303 HydrophobicContact CD1-CZ 4.3Å; I291-F303 HydrophobicContact CG2-CD2 3.64Å; I291-F303 HydrophobicContact CG2-CE2 3.46Å; I291-F303 VanDerWaalsContact CG2-CE2 3.46Å; I291-F303 HydrophobicContact CG2-CG 4.34Å; I291-F303 HydrophobicContact CG2-CZ 4.01Å; K293-F303 HydrophobicContact CB-CE2 4.33Å; K293-F303 HydrophobicContact CD-CE2 4.23Å; C299-F303 PolarHBondContact O-N 2.81Å; C300-F303 PolarHBondContact O-N 3.47Å; F303-L306 PolarHBondContact O-N 3.28Å; F303-Y307 HydrophobicContact CD1-CD2 4.36Å; F303-Y307 AromaticContact CD2-CD2 3.53Å; F303-Y307 HydrophobicContact CD2-CD2 3.53Å; F303-Y307 HydrophobicContact CD2-CE2 4.03Å; F303-Y307 HydrophobicContact CE1-CD2 4.45Å; F303-Y307 AromaticContact CE2-CD2 3.63Å; F303-Y307 HydrophobicContact CE2-CD2 3.63Å; F303-Y307 HydrophobicContact CE2-CE2 4.24Å; F303-Y307 HydrophobicContact CE2-CG 4.46Å; F303-Y307 AromaticContact CG-CD2 3.92Å; F303-Y307 HydrophobicContact CG-CD2 3.92Å; F303-Y307 HydrophobicContact CZ-CD2 4.11Å; F303-Y307 WeakPolarHBondContact O-CA 3.33Å; F303-Y307 WeakPolarHBondContact O-CB 3.35Å; F303-Y307 PolarHBondContact O-N 3.44Å; F303-I320 HydrophobicContact CB-CD1 4.39Å; F303-I320 HydrophobicContact CD1-CD1 4.11Å; F303-I320 HydrophobicContact CD1-CG1 4.15Å
304	E	90.4	Very high	90.9	Very high	48 Å²	48	59.3 Å²	59.3	22%	0.224	30%	0.303	C	S	.	.	H	α-helix	trans	-62.3	-48.5	175.4	-71.7	171.3	161.1	0	0	111.9	C300 L306 Y307 A308 G319 I320	C300-E304 WeakPolarHBondContact O-CG 3.29Å; C300-E304 PolarHBondContact O-N 3.19Å; E304-L306 PolarHBondContact O-N 3.04Å; E304-Y307 PolarHBondContact O-N 2.84Å; E304-A308 HydrophobicContact CB-CB 4.07Å; E304-A308 HydrophobicContact CG-CB 4.35Å; E304-A308 WeakPolarHBondContact O-CB 3.3Å; E304-A308 PolarHBondContact O-N 3.41Å; E304-G319 WeakPolarHBondContact OE1-CA 3.39Å; E304-I320 HydrophobicContact CG-CD1 3.65Å; E304-I320 HydrophobicContact CG-CG1 3.81Å; E304-I320 PolarHBondContact OE1-N 2.83Å
305	S	88.6	Confident	91	Very high	77 Å²	77	56.1 Å²	56.1	54%	0.538	30%	0.302	S	S	.	.	H	α-helix	trans	-60.5	-28.3	-180	-168	0	0	0	0	113.7	H301	H301-S305 VanDerWaalsContact O-CB 3.29Å; H301-S305 WeakPolarHBondContact O-CB 3.16Å; H301-S305 PolarHBondContact O-N 3.36Å
306	L	87.9	Confident	91.1	Very high	84 Å²	84	61.6 Å²	61.6	44%	0.44	32%	0.322	S	S	.	.	H	α-helix	trans	-99.6	-27.4	-178.4	-66.3	173.7	0	0	0	114.4	E280 Y298 C302 F303 E304	E280-L306 HydrophobicContact CB-CD1 4.44Å; E280-L306 HydrophobicContact CG-CD1 4.26Å; Y298-L306 HydrophobicContact CD1-CD1 4.38Å; Y298-L306 HydrophobicContact CE1-CD1 4.07Å; C302-L306 WeakPolarHBondContact O-CB 3.49Å; C302-L306 VanDerWaalsContact O-CG 3.22Å; C302-L306 WeakPolarHBondContact O-CG 3.49Å; C302-L306 PolarHBondContact O-N 3.45Å; C302-L306 VanDerWaalsContact O-N 3.11Å; F303-L306 PolarHBondContact O-N 3.28Å; E304-L306 PolarHBondContact O-N 3.04Å
307	Y	87.4	Confident	91	Very high	79 Å²	79	61.1 Å²	61.1	31%	0.31	32%	0.323	S	S	.	.	H	α-helix	trans	-139.8	-1.2	-166.3	-47	-58.8	0	0	0	115.4	K293 Y298 F303 E304 E309	K293-Y307 HydrophobicContact CD-CD2 4.18Å; K293-Y307 HydrophobicContact CD-CE1 4.31Å; K293-Y307 HydrophobicContact CD-CE2 3.81Å; K293-Y307 VanDerWaalsContact NZ-CD1 3.26Å; Y298-Y307 HydrophobicContact CD1-CE2 4.45Å; Y298-Y307 HydrophobicContact CE1-CE2 4.25Å; Y298-Y307 PolarHBondContact OH-OH 3.49Å; F303-Y307 HydrophobicContact CD1-CD2 4.36Å; F303-Y307 AromaticContact CD2-CD2 3.53Å; F303-Y307 HydrophobicContact CD2-CD2 3.53Å; F303-Y307 HydrophobicContact CD2-CE2 4.03Å; F303-Y307 HydrophobicContact CE1-CD2 4.45Å; F303-Y307 AromaticContact CE2-CD2 3.63Å; F303-Y307 HydrophobicContact CE2-CD2 3.63Å; F303-Y307 HydrophobicContact CE2-CE2 4.24Å; F303-Y307 HydrophobicContact CE2-CG 4.46Å; F303-Y307 AromaticContact CG-CD2 3.92Å; F303-Y307 HydrophobicContact CG-CD2 3.92Å; F303-Y307 HydrophobicContact CZ-CD2 4.11Å; F303-Y307 WeakPolarHBondContact O-CA 3.33Å; F303-Y307 WeakPolarHBondContact O-CB 3.35Å; F303-Y307 PolarHBondContact O-N 3.44Å; E304-Y307 PolarHBondContact O-N 2.84Å; Y307-E309 PolarHBondContact O-N 3.42Å
308	A	87.1	Confident	90.9	Very high	15 Å²	15	61.4 Å²	61.4	12%	0.124	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-79.7	122.2	175.2	0	0	0	0	0	111.6	E304 H317 I318	E304-A308 HydrophobicContact CB-CB 4.07Å; E304-A308 HydrophobicContact CG-CB 4.35Å; E304-A308 WeakPolarHBondContact O-CB 3.3Å; E304-A308 PolarHBondContact O-N 3.41Å; A308-H317 HydrophobicContact CB-CB 4Å; A308-H317 PolarHBondContact O-ND1 3.04Å; A308-H317 VanDerWaalsContact O-ND1 3.1Å; A308-I318 WeakPolarHBondContact CB-O 3.45Å
309	E	89.4	Confident	90.4	Very high	95 Å²	95	61.3 Å²	61.3	44%	0.444	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-60.2	154.4	172.4	-63.2	-59.6	164.7	0	0	112.3	Y307 H317 I318 H331	Y307-E309 PolarHBondContact O-N 3.42Å; E309-H317 CarbonylContact O-C 3.58Å; E309-H317 WeakPolarHBondContact O-CA 3.38Å; E309-I318 PolarHBondContact O-N 3.33Å; E309-H331 HydrophobicContact CB-CB 4.21Å
310	Y	91.2	Very high	90	Very high	132 Å²	132	63.2 Å²	63.2	52%	0.518	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-95.5	137.3	-179.2	-60.5	-97.8	0	0	0	110.4	D312 H317	Y310-D312 PolarHBondContact O-N 3.38Å; Y310-H317 AromaticContact CE1-CE1 3.37Å; Y310-H317 WeakPolarHBondContact CE1-CE1 3.49Å; Y310-H317 AromaticContact CE1-ND1 3.72Å; Y310-H317 AromaticContact CE1-NE2 3.59Å; Y310-H317 AromaticContact CZ-CE1 3.32Å; Y310-H317 AromaticContact CZ-ND1 3.8Å; Y310-H317 AromaticContact CZ-NE2 3.94Å; Y310-H317 PolarHBondContact OH-CE1 2.77Å
311	C	93.3	Very high	89.6	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-73.8	119	173.7	170.4	0	0	0	0	111.1	T313 C314 A315 Q316 I318 H331 H333	C311-T313 PolarHBondContact O-N 3.24Å; C311-T313 VanDerWaalsContact O-N 3.15Å; C311-C314 VanDerWaalsContact CB-SG 3.57Å; C311-C314 PolarHBondContact O-N 3.32Å; C311-A315 VanDerWaalsContact O-CA 3.3Å; C311-A315 WeakPolarHBondContact O-CA 3.4Å; C311-A315 PolarHBondContact O-N 2.82Å; C311-Q316 PolarHBondContact N-O 3.36Å; C311-I318 HydrophobicContact CB-CD1 4.11Å; C311-I318 HydrophobicContact CB-CG1 3.95Å; C311-H331 CarbonylContact C-O 3.56Å; C311-H331 VanDerWaalsContact CA-O 3.27Å; C311-H331 WeakPolarHBondContact CA-O 3.42Å; C311-H333 WeakPolarHBondContact CB-CE1 3.13Å; C311-H333 WeakPolarHBondContact CB-ND1 3.37Å; C311-H333 PolarHBondContact SG-ND1 2.64Å; C311-H333 VanDerWaalsContact SG-ND1 3.37Å
312	D	91.3	Very high	89.3	Confident	98 Å²	98	65.6 Å²	65.6	52%	0.524	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-29.6	-178.2	-78.8	-77.4	0	0	0	113.6	Y310 Q330 H331	Y310-D312 PolarHBondContact O-N 3.38Å; D312-Q330 WeakPolarHBondContact OD2-CA 3.44Å; D312-Q330 VanDerWaalsContact OD2-CB 3.31Å; D312-Q330 WeakPolarHBondContact OD2-CB 3.2Å; D312-H331 PolarHBondContact N-O 3.39Å; D312-H331 PolarHBondContact OD2-N 3.19Å
313	T	90.4	Very high	88.9	Confident	70 Å²	70	67.2 Å²	67.2	43%	0.429	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-35.3	179.9	-64.7	0	0	0	0	113.8	C311 W332 C338	C311-T313 PolarHBondContact O-N 3.24Å; C311-T313 VanDerWaalsContact O-N 3.15Å; T313-W332 PolarHBondContact OG1-NE1 3.26Å; T313-C338 WeakPolarHBondContact CB-O 3.35Å; T313-C338 PolarHBondContact OG1-O 3.13Å
314	C	91.9	Very high	88.8	Confident	49 Å²	49	69.4 Å²	69.4	33%	0.331	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-8.1	-173	77.8	0	0	0	0	115	C311 Q316 H333	C311-C314 VanDerWaalsContact CB-SG 3.57Å; C311-C314 PolarHBondContact O-N 3.32Å; C314-Q316 PolarHBondContact O-N 3.18Å; C314-H333 PolarHBondContact SG-CE1 2.79Å; C314-H333 PolarHBondContact SG-ND1 3.12Å
315	A	90.4	Very high	88.8	Confident	80 Å²	80	69.9 Å²	69.9	66%	0.661	38%	0.379	S	S	*	.			trans	55.8	25.7	-177	0	0	0	0	0	115.4	C311	C311-A315 VanDerWaalsContact O-CA 3.3Å; C311-A315 WeakPolarHBondContact O-CA 3.4Å; C311-A315 PolarHBondContact O-N 2.82Å
316	Q	89.4	Confident	89	Confident	133 Å²	133	70.3 Å²	70.3	62%	0.621	38%	0.379	S	S	*	.	S	Bend	trans	-104.2	153.8	171.4	-57.8	-177.5	5.7	0	0	110.3	C311 C314	C311-Q316 PolarHBondContact N-O 3.36Å; C314-Q316 PolarHBondContact O-N 3.18Å
317	H	88.9	Confident	89.2	Confident	71 Å²	71	71 Å²	71	33%	0.329	38%	0.376	S	S	.	.	B	Isolated β-bridge	trans	-59.4	145.7	173.1	-62.4	-89.6	0	0	0	111.5	A308 E309 Y310 H333	A308-H317 HydrophobicContact CB-CB 4Å; A308-H317 PolarHBondContact O-ND1 3.04Å; A308-H317 VanDerWaalsContact O-ND1 3.1Å; E309-H317 CarbonylContact O-C 3.58Å; E309-H317 WeakPolarHBondContact O-CA 3.38Å; Y310-H317 AromaticContact CE1-CE1 3.37Å; Y310-H317 WeakPolarHBondContact CE1-CE1 3.49Å; Y310-H317 AromaticContact CE1-ND1 3.72Å; Y310-H317 AromaticContact CE1-NE2 3.59Å; Y310-H317 AromaticContact CZ-CE1 3.32Å; Y310-H317 AromaticContact CZ-ND1 3.8Å; Y310-H317 AromaticContact CZ-NE2 3.94Å; Y310-H317 PolarHBondContact OH-CE1 2.77Å; H317-H333 PolarHBondContact O-NE2 3.47Å
318	I	89.9	Confident	89.3	Confident	11 Å²	11	73.5 Å²	73.5	6%	0.056	40%	0.395	C	S	.	.			trans	-91.7	102.9	171.2	-54.5	173.5	0	0	0	106.9	A308 E309 C311 Q322 Q324 H331 W332	A308-I318 WeakPolarHBondContact CB-O 3.45Å; E309-I318 PolarHBondContact O-N 3.33Å; C311-I318 HydrophobicContact CB-CD1 4.11Å; C311-I318 HydrophobicContact CB-CG1 3.95Å; I318-Q322 HydrophobicContact CG2-CB 4.43Å; I318-Q324 HydrophobicContact CD1-CG 3.92Å; I318-Q324 HydrophobicContact CG2-CB 4.03Å; I318-Q324 HydrophobicContact CG2-CG 4.13Å; I318-H331 HydrophobicContact CD1-CB 3.85Å; I318-W332 VanDerWaalsContact CD1-C 3.48Å
319	G	85.4	Confident	89.4	Confident	6 Å²	6	76.2 Å²	76.2	6%	0.062	42%	0.424	C	S	.	.			trans	-67.3	159.2	-176.7	0	0	0	0	0	112.7	E304 D321 Q322	E304-G319 WeakPolarHBondContact OE1-CA 3.39Å; G319-D321 PolarHBondContact O-N 2.87Å; G319-Q322 WeakPolarHBondContact O-CB 3.29Å; G319-Q322 PolarHBondContact O-N 2.98Å
320	I	85.2	Confident	89.5	Confident	62 Å²	62	73.2 Å²	73.2	32%	0.318	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-36.3	-174.6	-63.9	148.8	0	0	0	111.8	I291 C300 F303 E304 Q322	I291-I320 HydrophobicContact CD1-CD1 3.44Å; I291-I320 VanDerWaalsContact CD1-CD1 3.44Å; I291-I320 HydrophobicContact CD1-CG1 3.73Å; I291-I320 HydrophobicContact CD1-CG2 4.01Å; C300-I320 HydrophobicContact CB-CD1 3.6Å; F303-I320 HydrophobicContact CB-CD1 4.39Å; F303-I320 HydrophobicContact CD1-CD1 4.11Å; F303-I320 HydrophobicContact CD1-CG1 4.15Å; E304-I320 HydrophobicContact CG-CD1 3.65Å; E304-I320 HydrophobicContact CG-CG1 3.81Å; E304-I320 PolarHBondContact OE1-N 2.83Å; I320-Q322 VanDerWaalsContact C-N 3.28Å; I320-Q322 PolarHBondContact O-N 2.77Å
321	D	84.7	Confident	89.6	Confident	109 Å²	109	68.8 Å²	68.8	58%	0.583	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	4	-178.5	-59.8	-34.7	0	0	0	113.5	R289 G319	R289-D321 IonicContact CZ-OD1 3.79Å; R289-D321 IonicContact CZ-OD2 2.71Å; R289-D321 IonicContact NH1-OD1 3.39Å; R289-D321 PolarHBondContact NH1-OD1 3.17Å; R289-D321 IonicContact NH1-OD2 3.76Å; R289-D321 PolarHBondContact NH1-OD2 2.86Å; R289-D321 IonicContact NH2-OD1 3.69Å; R289-D321 PolarHBondContact NH2-OD1 3.49Å; G319-D321 PolarHBondContact O-N 2.87Å
322	Q	84.8	Confident	89.6	Confident	101 Å²	101	69.2 Å²	69.2	47%	0.472	40%	0.395	S	S	.	.	S	Bend	trans	-109.8	122.9	-174.6	-55.6	177	31.8	0	0	109.1	I318 G319 I320 Q324 H333	I318-Q322 HydrophobicContact CG2-CB 4.43Å; G319-Q322 WeakPolarHBondContact O-CB 3.29Å; G319-Q322 PolarHBondContact O-N 2.98Å; I320-Q322 VanDerWaalsContact C-N 3.28Å; I320-Q322 PolarHBondContact O-N 2.77Å; Q322-Q324 PolarHBondContact O-N 3.02Å; Q322-H333 PolarHBondContact OE1-CD2 3.47Å; Q322-H333 PolarHBondContact OE1-NE2 3.21Å
323	G	86.3	Confident	89.8	Confident	48 Å²	48	65 Å²	65	50%	0.495	37%	0.373	S	S	.	.			trans	-54.4	141.2	175.5	0	0	0	0	0	111.4	A334	G323-A334 VanDerWaalsContact C-CB 3.44Å; G323-A334 VanDerWaalsContact O-CB 3.3Å; G323-A334 WeakPolarHBondContact O-CB 3.5Å; G323-A334 PolarHBondContact O-N 3.41Å
324	Q	91	Very high	89.9	Confident	89 Å²	89	63.4 Å²	63.4	42%	0.416	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	133.3	-176.6	-172.2	177.2	30.7	0	0	110.3	I318 Q322 T326 H331 W332	I318-Q324 HydrophobicContact CD1-CG 3.92Å; I318-Q324 HydrophobicContact CG2-CB 4.03Å; I318-Q324 HydrophobicContact CG2-CG 4.13Å; Q322-Q324 PolarHBondContact O-N 3.02Å; Q324-T326 HydrophobicContact CG-CG2 3.78Å; Q324-H331 PolarHBondContact NE2-ND1 3.25Å; Q324-W332 WeakPolarHBondContact CA-O 3.22Å
325	M	90.8	Very high	89.9	Confident	58 Å²	58	64 Å²	64	29%	0.286	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	136.5	165	-56.2	-59.6	-61	0	0	108.2	W332 A334 F339 L349	M325-W332 HydrophobicContact CB-CB 4.38Å; M325-W332 HydrophobicContact CB-CE3 4.5Å; M325-W332 PolarHBondContact N-O 3.49Å; M325-W332 PolarHBondContact O-N 2.94Å; M325-A334 HydrophobicContact CG-CB 3.88Å; M325-A334 HydrophobicContact SD-CB 3.97Å; M325-F339 HydrophobicContact CB-CB 4.46Å; M325-F339 HydrophobicContact CB-CD1 4.49Å; M325-F339 HydrophobicContact CB-CD2 3.51Å; M325-F339 HydrophobicContact CB-CE2 3.76Å; M325-F339 HydrophobicContact CB-CG 3.91Å; M325-F339 HydrophobicContact CB-CZ 4.36Å; M325-F339 HydrophobicContact CE-CD1 4.15Å; M325-F339 HydrophobicContact CE-CE1 3.8Å; M325-F339 HydrophobicContact CE-CZ 4.02Å; M325-F339 HydrophobicContact CG-CB 3.99Å; M325-F339 HydrophobicContact CG-CD1 4Å; M325-F339 HydrophobicContact CG-CD2 3.84Å; M325-F339 HydrophobicContact CG-CE1 4.46Å; M325-F339 HydrophobicContact CG-CE2 4.32Å; M325-F339 HydrophobicContact CG-CG 3.67Å; M325-L349 HydrophobicContact CE-CD2 4.46Å; M325-L349 HydrophobicContact CG-CD2 3.82Å; M325-L349 HydrophobicContact SD-CD2 3.81Å
326	T	92.7	Very high	89.9	Confident	87 Å²	87	66.3 Å²	66.3	53%	0.534	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	142.6	178.2	62.9	0	0	0	0	110.8	Q324 Q330 H331	Q324-T326 HydrophobicContact CG-CG2 3.78Å; T326-Q330 WeakPolarHBondContact CA-O 3.33Å; T326-H331 VanDerWaalsContact CG2-ND1 3.33Å; T326-H331 WeakPolarHBondContact CG2-ND1 3.29Å
327	Y	90.9	Very high	90.1	Very high	98 Å²	98	65 Å²	65	38%	0.384	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	127.4	172.8	-174.8	-88.5	0	0	0	109.9	G329 Q330 F353 P355	Y327-G329 VanDerWaalsContact C-N 3.35Å; Y327-G329 PolarHBondContact O-N 3.42Å; Y327-Q330 PolarHBondContact N-O 2.83Å; Y327-Q330 WeakPolarHBondContact O-CB 3.38Å; Y327-Q330 PolarHBondContact O-N 3.45Å; Y327-F353 HydrophobicContact CD1-CE2 4.38Å; Y327-F353 AromaticContact CD2-CE2 3.94Å; Y327-F353 HydrophobicContact CD2-CE2 3.94Å; Y327-F353 AromaticContact CD2-CZ 3.67Å; Y327-F353 HydrophobicContact CD2-CZ 3.67Å; Y327-F353 HydrophobicContact CE2-CE2 4.4Å; Y327-F353 HydrophobicContact CE2-CZ 4.34Å; Y327-F353 AromaticContact CG-CE2 3.94Å; Y327-F353 HydrophobicContact CG-CE2 3.94Å; Y327-F353 AromaticContact CG-CZ 3.97Å; Y327-F353 HydrophobicContact CG-CZ 3.97Å; Y327-P355 HydrophobicContact CD1-CB 3.91Å; Y327-P355 HydrophobicContact CD1-CG 4.26Å; Y327-P355 HydrophobicContact CE1-CB 3.41Å; Y327-P355 VanDerWaalsContact CE1-CB 3.41Å; Y327-P355 HydrophobicContact CE1-CG 3.44Å; Y327-P355 VanDerWaalsContact CE1-CG 3.44Å; Y327-P355 HydrophobicContact CE2-CG 4.24Å; Y327-P355 VanDerWaalsContact CZ-CG 3.45Å; Y327-P355 WeakPolarHBondContact OH-CG 3.27Å
328	D	89.4	Confident	90.3	Very high	132 Å²	132	62.1 Å²	62.1	71%	0.706	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	52.7	172	-163.5	32.6	0	0	0	113.5	Q330	D328-Q330 PolarHBondContact O-N 2.81Å; D328-Q330 VanDerWaalsContact O-N 3.13Å; D328-Q330 PolarHBondContact O-NE2 3.13Å; D328-Q330 VanDerWaalsContact O-NE2 3.13Å
329	G	89.1	Confident	90.5	Very high	71 Å²	71	61.7 Å²	61.7	73%	0.732	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	0.4	-179.7	0	0	0	0	0	116.4	Y327 H331	Y327-G329 VanDerWaalsContact C-N 3.35Å; Y327-G329 PolarHBondContact O-N 3.42Å; G329-H331 PolarHBondContact O-CD2 3.11Å
330	Q	92.3	Very high	90.9	Very high	33 Å²	33	61.9 Å²	61.9	15%	0.154	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	153.1	173.5	-69.3	142.2	89.2	0	0	111.1	D312 T326 Y327 D328 W332 G358	D312-Q330 WeakPolarHBondContact OD2-CA 3.44Å; D312-Q330 VanDerWaalsContact OD2-CB 3.31Å; D312-Q330 WeakPolarHBondContact OD2-CB 3.2Å; T326-Q330 WeakPolarHBondContact CA-O 3.33Å; Y327-Q330 PolarHBondContact N-O 2.83Å; Y327-Q330 WeakPolarHBondContact O-CB 3.38Å; Y327-Q330 PolarHBondContact O-N 3.45Å; D328-Q330 PolarHBondContact O-N 2.81Å; D328-Q330 VanDerWaalsContact O-N 3.13Å; D328-Q330 PolarHBondContact O-NE2 3.13Å; D328-Q330 VanDerWaalsContact O-NE2 3.13Å; Q330-W332 HydrophobicContact CB-CH2 3.31Å; Q330-W332 HydrophobicContact CB-CZ2 3.72Å; Q330-W332 HydrophobicContact CB-CZ3 3.77Å; Q330-W332 HydrophobicContact CG-CH2 4.24Å; Q330-W332 HydrophobicContact CG-CZ2 4.41Å; Q330-G358 PolarHBondContact OE1-O 3.01Å
331	H	93.6	Very high	91.3	Very high	39 Å²	39	58.9 Å²	58.9	18%	0.181	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	140.1	-172.2	-59.8	-94	0	0	0	110.5	E309 C311 D312 I318 Q324 T326 G329	E309-H331 HydrophobicContact CB-CB 4.21Å; C311-H331 CarbonylContact C-O 3.56Å; C311-H331 VanDerWaalsContact CA-O 3.27Å; C311-H331 WeakPolarHBondContact CA-O 3.42Å; D312-H331 PolarHBondContact N-O 3.39Å; D312-H331 PolarHBondContact OD2-N 3.19Å; I318-H331 HydrophobicContact CD1-CB 3.85Å; Q324-H331 PolarHBondContact NE2-ND1 3.25Å; T326-H331 VanDerWaalsContact CG2-ND1 3.33Å; T326-H331 WeakPolarHBondContact CG2-ND1 3.29Å; G329-H331 PolarHBondContact O-CD2 3.11Å
332	W	94.1	Very high	91.6	Very high	8 Å²	8	55 Å²	55	3%	0.03	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	150.4	175.7	-58	-89.9	0	0	0	111	T313 I318 Q324 M325 Q330 F339 I360	T313-W332 PolarHBondContact OG1-NE1 3.26Å; I318-W332 VanDerWaalsContact CD1-C 3.48Å; Q324-W332 WeakPolarHBondContact CA-O 3.22Å; M325-W332 HydrophobicContact CB-CB 4.38Å; M325-W332 HydrophobicContact CB-CE3 4.5Å; M325-W332 PolarHBondContact N-O 3.49Å; M325-W332 PolarHBondContact O-N 2.94Å; Q330-W332 HydrophobicContact CB-CH2 3.31Å; Q330-W332 HydrophobicContact CB-CZ2 3.72Å; Q330-W332 HydrophobicContact CB-CZ3 3.77Å; Q330-W332 HydrophobicContact CG-CH2 4.24Å; Q330-W332 HydrophobicContact CG-CZ2 4.41Å; W332-F339 HydrophobicContact CB-CB 4.31Å; W332-F339 HydrophobicContact CB-CD2 4.03Å; W332-F339 AromaticContact CD2-CD2 3.86Å; W332-F339 HydrophobicContact CD2-CD2 3.86Å; W332-F339 HydrophobicContact CD2-CE2 4.24Å; W332-F339 AromaticContact CE3-CD2 3.78Å; W332-F339 HydrophobicContact CE3-CD2 3.78Å; W332-F339 AromaticContact CE3-CE2 3.76Å; W332-F339 HydrophobicContact CE3-CE2 3.76Å; W332-F339 AromaticContact CG-CD2 3.99Å; W332-F339 HydrophobicContact CG-CD2 3.99Å; W332-F339 HydrophobicContact CZ3-CE2 4.09Å; W332-I360 HydrophobicContact CD2-CD1 4.33Å; W332-I360 HydrophobicContact CH2-CD1 4.35Å; W332-I360 HydrophobicContact CH2-CG2 3.94Å; W332-I360 HydrophobicContact CZ2-CD1 3.99Å; W332-I360 HydrophobicContact CZ2-CG1 4.42Å; W332-I360 HydrophobicContact CZ2-CG2 4.16Å
333	H	94	Very high	91.8	Very high	10 Å²	10	53.7 Å²	53.7	5%	0.046	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	139.7	161.1	-56.3	100.2	0	0	0	109.5	C311 C314 H317 Q322 T335 C338	C311-H333 WeakPolarHBondContact CB-CE1 3.13Å; C311-H333 WeakPolarHBondContact CB-ND1 3.37Å; C311-H333 PolarHBondContact SG-ND1 2.64Å; C311-H333 VanDerWaalsContact SG-ND1 3.37Å; C314-H333 PolarHBondContact SG-CE1 2.79Å; C314-H333 PolarHBondContact SG-ND1 3.12Å; H317-H333 PolarHBondContact O-NE2 3.47Å; Q322-H333 PolarHBondContact OE1-CD2 3.47Å; Q322-H333 PolarHBondContact OE1-NE2 3.21Å; H333-T335 HydrophobicContact CB-CG2 4.13Å; H333-T335 PolarHBondContact O-N 3.41Å; H333-C338 HydrophobicContact CB-CB 3.87Å; H333-C338 WeakPolarHBondContact O-CB 3.39Å
334	A	93.3	Very high	92.1	Very high	36 Å²	36	53.9 Å²	53.9	30%	0.298	31%	0.307	S	S	.	.	S	Bend	trans	-75.2	50.8	173.5	0	0	0	0	0	111.7	G323 M325 L349	G323-A334 VanDerWaalsContact C-CB 3.44Å; G323-A334 VanDerWaalsContact O-CB 3.3Å; G323-A334 WeakPolarHBondContact O-CB 3.5Å; G323-A334 PolarHBondContact O-N 3.41Å; M325-A334 HydrophobicContact CG-CB 3.88Å; M325-A334 HydrophobicContact SD-CB 3.97Å; A334-L349 HydrophobicContact CB-CD2 4.24Å; A334-L349 WeakPolarHBondContact O-CD1 3.37Å
335	T	92.3	Very high	92.1	Very high	61 Å²	61	56 Å²	56	37%	0.374	32%	0.315	S	S	.	.	S	Bend	trans	-121.2	148.8	179.4	60.6	0	0	0	0	109.6	H333 T337 C338 F339	H333-T335 HydrophobicContact CB-CG2 4.13Å; H333-T335 PolarHBondContact O-N 3.41Å; T335-T337 PolarHBondContact O-N 3.13Å; T335-T337 VanDerWaalsContact O-N 3.09Å; T335-T337 PolarHBondContact OG1-OG1 3.04Å; T335-C338 PolarHBondContact O-N 2.81Å; T335-C338 WeakPolarHBondContact OG1-CB 3.4Å; T335-C338 PolarHBondContact OG1-SG 3.25Å; T335-F339 PolarHBondContact O-N 2.94Å
336	E	91	Very high	92.2	Very high	129 Å²	129	59 Å²	59	60%	0.603	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-23	-176.6	-60.7	-146.6	117	0	0	113.9	C340 S347 L349	E336-C340 WeakPolarHBondContact O-CB 3.42Å; E336-S347 WeakPolarHBondContact OE1-CB 3.42Å; E336-S347 PolarHBondContact OE1-OG 2.82Å; E336-L349 HydrophobicContact CG-CD1 4.19Å
337	T	91.6	Very high	92.2	Very high	106 Å²	106	55.3 Å²	55.3	65%	0.65	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-32.8	177.7	54.9	0	0	0	0	112.9	T335 C340	T335-T337 PolarHBondContact O-N 3.13Å; T335-T337 VanDerWaalsContact O-N 3.09Å; T335-T337 PolarHBondContact OG1-OG1 3.04Å; T337-C340 PolarHBondContact O-SG 2.91Å; T337-C340 VanDerWaalsContact O-SG 3.34Å
338	C	93.4	Very high	92.3	Very high	10 Å²	10	50.7 Å²	50.7	7%	0.068	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-46.7	-172.9	-66.4	0	0	0	0	112.3	T313 H333 T335 C340	T313-C338 WeakPolarHBondContact CB-O 3.35Å; T313-C338 PolarHBondContact OG1-O 3.13Å; H333-C338 HydrophobicContact CB-CB 3.87Å; H333-C338 WeakPolarHBondContact O-CB 3.39Å; T335-C338 PolarHBondContact O-N 2.81Å; T335-C338 WeakPolarHBondContact OG1-CB 3.4Å; T335-C338 PolarHBondContact OG1-SG 3.25Å; C338-C340 VanDerWaalsContact C-N 3.35Å; C338-C340 PolarHBondContact O-N 3.14Å
339	F	94.6	Very high	92.5	Very high	3 Å²	3	46.8 Å²	46.8	1%	0.013	27%	0.265	C	S	.	.	S	Bend	trans	-92	69	176.5	-163.7	-108.4	0	0	0	110.7	M325 W332 T335 L348 L349 F353 I360	M325-F339 HydrophobicContact CB-CB 4.46Å; M325-F339 HydrophobicContact CB-CD1 4.49Å; M325-F339 HydrophobicContact CB-CD2 3.51Å; M325-F339 HydrophobicContact CB-CE2 3.76Å; M325-F339 HydrophobicContact CB-CG 3.91Å; M325-F339 HydrophobicContact CB-CZ 4.36Å; M325-F339 HydrophobicContact CE-CD1 4.15Å; M325-F339 HydrophobicContact CE-CE1 3.8Å; M325-F339 HydrophobicContact CE-CZ 4.02Å; M325-F339 HydrophobicContact CG-CB 3.99Å; M325-F339 HydrophobicContact CG-CD1 4Å; M325-F339 HydrophobicContact CG-CD2 3.84Å; M325-F339 HydrophobicContact CG-CE1 4.46Å; M325-F339 HydrophobicContact CG-CE2 4.32Å; M325-F339 HydrophobicContact CG-CG 3.67Å; W332-F339 HydrophobicContact CB-CB 4.31Å; W332-F339 HydrophobicContact CB-CD2 4.03Å; W332-F339 AromaticContact CD2-CD2 3.86Å; W332-F339 HydrophobicContact CD2-CD2 3.86Å; W332-F339 HydrophobicContact CD2-CE2 4.24Å; W332-F339 AromaticContact CE3-CD2 3.78Å; W332-F339 HydrophobicContact CE3-CD2 3.78Å; W332-F339 AromaticContact CE3-CE2 3.76Å; W332-F339 HydrophobicContact CE3-CE2 3.76Å; W332-F339 AromaticContact CG-CD2 3.99Å; W332-F339 HydrophobicContact CG-CD2 3.99Å; W332-F339 HydrophobicContact CZ3-CE2 4.09Å; T335-F339 PolarHBondContact O-N 2.94Å; F339-L348 HydrophobicContact CD1-CB 3.62Å; F339-L348 HydrophobicContact CE1-CB 3.55Å; F339-L348 HydrophobicContact CZ-CB 4.42Å; F339-L348 PolarHBondContact O-N 3.37Å; F339-L349 HydrophobicContact CB-CD2 3.93Å; F339-L349 HydrophobicContact CB-CG 4.47Å; F339-L349 HydrophobicContact CD1-CD2 3.77Å; F339-L349 HydrophobicContact CD1-CG 4.33Å; F339-L349 HydrophobicContact CG-CD2 4.18Å; F339-F353 HydrophobicContact CE1-CD1 4.34Å; F339-F353 HydrophobicContact CE1-CE1 4.43Å; F339-F353 AromaticContact CZ-CD1 3.97Å; F339-F353 HydrophobicContact CZ-CD1 3.97Å; F339-F353 AromaticContact CZ-CE1 3.76Å; F339-F353 HydrophobicContact CZ-CE1 3.76Å; F339-F353 HydrophobicContact CZ-CZ 4.1Å; F339-I360 HydrophobicContact CD2-CD1 3.58Å; F339-I360 HydrophobicContact CE2-CD1 3.52Å; F339-I360 HydrophobicContact CG-CD1 4.3Å; F339-I360 HydrophobicContact CZ-CD1 4.18Å
340	C	94.3	Very high	92.4	Very high	9 Å²	9	47.7 Å²	47.7	6%	0.061	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-126.9	157.1	-174.7	70.9	0	0	0	0	112.8	E336 T337 C338 A342 K345 K346	E336-C340 WeakPolarHBondContact O-CB 3.42Å; T337-C340 PolarHBondContact O-SG 2.91Å; T337-C340 VanDerWaalsContact O-SG 3.34Å; C338-C340 VanDerWaalsContact C-N 3.35Å; C338-C340 PolarHBondContact O-N 3.14Å; C340-A342 PolarHBondContact O-N 3.47Å; C340-K345 WeakPolarHBondContact CB-O 3.38Å; C340-K346 WeakPolarHBondContact CA-O 3.45Å
341	C	93.9	Very high	92.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.289	C	S	.	.			trans	-60.7	125.1	177	173.6	0	0	0	0	111.2	H343 K345 K346 L348 I360 C362	C341-H343 PolarHBondContact O-N 3.01Å; C341-H343 VanDerWaalsContact O-N 3.13Å; C341-K345 VanDerWaalsContact O-CA 3.22Å; C341-K345 WeakPolarHBondContact O-CA 3.27Å; C341-K345 PolarHBondContact O-N 2.91Å; C341-K346 PolarHBondContact N-O 3.44Å; C341-L348 HydrophobicContact CB-CD1 4.49Å; C341-L348 HydrophobicContact CB-CD2 4.3Å; C341-L348 HydrophobicContact CB-CG 4.49Å; C341-I360 CarbonylContact C-O 3.56Å; C341-I360 WeakPolarHBondContact CA-O 3.49Å; C341-C362 HydrophobicContact CB-CB 3.99Å; C341-C362 PolarHBondContact SG-N 3.46Å; C341-C362 VanDerWaalsContact SG-N 3.39Å
342	A	90.9	Very high	92	Very high	27 Å²	27	55.7 Å²	55.7	22%	0.223	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-39	-177.3	0	0	0	0	0	113.3	C340 K345 Q359 I360 F361	C340-A342 PolarHBondContact O-N 3.47Å; A342-K345 WeakPolarHBondContact O-CE 3.21Å; A342-K345 PolarHBondContact O-NZ 3.09Å; A342-Q359 HydrophobicContact CB-CB 4.02Å; A342-Q359 HydrophobicContact CB-CG 4.44Å; A342-I360 PolarHBondContact N-O 2.96Å; A342-F361 HydrophobicContact CB-CD1 4.33Å; A342-F361 HydrophobicContact CB-CE1 3.87Å; A342-F361 HydrophobicContact CB-CZ 4.16Å
343	H	89.3	Confident	92	Very high	74 Å²	74	58.2 Å²	58.2	34%	0.343	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-75	176.7	-157.9	-123.5	0	0	0	112.5	C341 K345 F361 C366 E370	C341-H343 PolarHBondContact O-N 3.01Å; C341-H343 VanDerWaalsContact O-N 3.13Å; H343-K345 PolarHBondContact O-N 3.39Å; H343-F361 HydrophobicContact CB-CD1 4.31Å; H343-F361 HydrophobicContact CB-CE1 4.35Å; H343-C366 HydrophobicContact CB-CB 4.01Å; H343-E370 PolarHBondContact CE1-O 3.33Å
344	C	91.9	Very high	91.9	Very high	52 Å²	52	61 Å²	61	35%	0.351	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	4.3	-169.2	66.4	0	0	0	0	115.8	K346 C362 C366	C344-K346 PolarHBondContact O-N 3.34Å; C344-C362 PolarHBondContact SG-SG 3.39Å; C344-C366 VanDerWaalsContact SG-SG 3.68Å
345	K	91.3	Very high	91.8	Very high	134 Å²	134	61.6 Å²	61.6	58%	0.583	34%	0.344	S	S	*	.			trans	54.2	12.9	-178.1	-52.5	-51.6	-175.6	-163.7	0	116.3	C340 C341 A342 H343 S347	C340-K345 WeakPolarHBondContact CB-O 3.38Å; C341-K345 VanDerWaalsContact O-CA 3.22Å; C341-K345 WeakPolarHBondContact O-CA 3.27Å; C341-K345 PolarHBondContact O-N 2.91Å; A342-K345 WeakPolarHBondContact O-CE 3.21Å; A342-K345 PolarHBondContact O-NZ 3.09Å; H343-K345 PolarHBondContact O-N 3.39Å; K345-S347 PolarHBondContact O-N 3.06Å
346	K	91.6	Very high	91.6	Very high	119 Å²	119	63.1 Å²	63.1	52%	0.517	35%	0.346	S	S	.	.			trans	-63.9	126.7	172.4	-172.1	172.4	-175.1	173	0	110.4	C340 C341 C344 L348	C340-K346 WeakPolarHBondContact CA-O 3.45Å; C341-K346 PolarHBondContact N-O 3.44Å; C344-K346 PolarHBondContact O-N 3.34Å; K346-L348 PolarHBondContact O-N 2.85Å
347	S	93.9	Very high	91.3	Very high	10 Å²	10	65.6 Å²	65.6	7%	0.07	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-50.5	132.5	173.3	173.7	0	0	0	0	111.7	E336 K345 R351	E336-S347 WeakPolarHBondContact OE1-CB 3.42Å; E336-S347 PolarHBondContact OE1-OG 2.82Å; K345-S347 PolarHBondContact O-N 3.06Å; S347-R351 WeakPolarHBondContact O-CD 3.38Å; S347-R351 PolarHBondContact O-NH1 3.4Å
348	L	93.3	Very high	90.9	Very high	2 Å²	2	63 Å²	63	1%	0.01	35%	0.352	C	S	.	.			trans	-103.4	-0.7	179.7	-63.2	174.6	0	0	0	112.6	F339 C341 K346 G350 R351 F353 I360 C362	F339-L348 HydrophobicContact CD1-CB 3.62Å; F339-L348 HydrophobicContact CE1-CB 3.55Å; F339-L348 HydrophobicContact CZ-CB 4.42Å; F339-L348 PolarHBondContact O-N 3.37Å; C341-L348 HydrophobicContact CB-CD1 4.49Å; C341-L348 HydrophobicContact CB-CD2 4.3Å; C341-L348 HydrophobicContact CB-CG 4.49Å; K346-L348 PolarHBondContact O-N 2.85Å; L348-G350 PolarHBondContact O-N 3.41Å; L348-R351 PolarHBondContact O-N 2.95Å; L348-F353 HydrophobicContact CD1-CB 3.9Å; L348-F353 HydrophobicContact CD2-CB 4.09Å; L348-F353 HydrophobicContact CG-CB 4.4Å; L348-I360 HydrophobicContact CD1-CB 3.88Å; L348-I360 HydrophobicContact CD1-CD1 3.72Å; L348-I360 HydrophobicContact CD1-CG1 3.68Å; L348-C362 HydrophobicContact CD2-CB 3.59Å
349	L	92.3	Very high	90.7	Very high	49 Å²	49	67.4 Å²	67.4	26%	0.257	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	129.6	177.4	-62.1	176.2	0	0	0	110.3	M325 A334 E336 F339 R351	M325-L349 HydrophobicContact CE-CD2 4.46Å; M325-L349 HydrophobicContact CG-CD2 3.82Å; M325-L349 HydrophobicContact SD-CD2 3.81Å; A334-L349 HydrophobicContact CB-CD2 4.24Å; A334-L349 WeakPolarHBondContact O-CD1 3.37Å; E336-L349 HydrophobicContact CG-CD1 4.19Å; F339-L349 HydrophobicContact CB-CD2 3.93Å; F339-L349 HydrophobicContact CB-CG 4.47Å; F339-L349 HydrophobicContact CD1-CD2 3.77Å; F339-L349 HydrophobicContact CD1-CG 4.33Å; F339-L349 HydrophobicContact CG-CD2 4.18Å; L349-R351 PolarHBondContact O-N 2.87Å
350	G	87.9	Confident	90.6	Very high	91 Å²	91	67.6 Å²	67.6	94%	0.938	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	14.6	-177.1	0	0	0	0	0	115.3	L348	L348-G350 PolarHBondContact O-N 3.41Å
351	R	89.1	Confident	90.6	Very high	120 Å²	120	68 Å²	68	45%	0.453	37%	0.373	S	S	.	.	S	Bend	trans	-122.5	148.4	-177.6	-68.2	175.9	178.2	137.1	6.5	111.5	S347 L348 L349	S347-R351 WeakPolarHBondContact O-CD 3.38Å; S347-R351 PolarHBondContact O-NH1 3.4Å; L348-R351 PolarHBondContact O-N 2.95Å; L349-R351 PolarHBondContact O-N 2.87Å
352	P	88.6	Confident	90.6	Very high	120 Å²	120	70 Å²	70	78%	0.779	39%	0.387	S	S	*	.			trans	-62.6	140.7	168.9	28.5	-34.6	0	0	0	110
353	F	92.9	Very high	90.6	Very high	61 Å²	61	70.8 Å²	70.8	27%	0.268	39%	0.391	S	S	.	.			trans	-132.4	158.4	176.9	65.3	-86.1	0	0	0	110.9	Y327 F339 L348 P355 I360 F361	Y327-F353 HydrophobicContact CD1-CE2 4.38Å; Y327-F353 AromaticContact CD2-CE2 3.94Å; Y327-F353 HydrophobicContact CD2-CE2 3.94Å; Y327-F353 AromaticContact CD2-CZ 3.67Å; Y327-F353 HydrophobicContact CD2-CZ 3.67Å; Y327-F353 HydrophobicContact CE2-CE2 4.4Å; Y327-F353 HydrophobicContact CE2-CZ 4.34Å; Y327-F353 AromaticContact CG-CE2 3.94Å; Y327-F353 HydrophobicContact CG-CE2 3.94Å; Y327-F353 AromaticContact CG-CZ 3.97Å; Y327-F353 HydrophobicContact CG-CZ 3.97Å; F339-F353 HydrophobicContact CE1-CD1 4.34Å; F339-F353 HydrophobicContact CE1-CE1 4.43Å; F339-F353 AromaticContact CZ-CD1 3.97Å; F339-F353 HydrophobicContact CZ-CD1 3.97Å; F339-F353 AromaticContact CZ-CE1 3.76Å; F339-F353 HydrophobicContact CZ-CE1 3.76Å; F339-F353 HydrophobicContact CZ-CZ 4.1Å; L348-F353 HydrophobicContact CD1-CB 3.9Å; L348-F353 HydrophobicContact CD2-CB 4.09Å; L348-F353 HydrophobicContact CG-CB 4.4Å; F353-P355 HydrophobicContact CE2-CB 4.32Å; F353-P355 HydrophobicContact CE2-CG 4.29Å; F353-I360 HydrophobicContact CD2-CB 4.05Å; F353-I360 HydrophobicContact CD2-CG2 3.78Å; F353-I360 HydrophobicContact CE2-CG2 3.87Å; F353-F361 CarbonylContact C-O 3.57Å; F353-F361 VanDerWaalsContact CA-O 3.27Å; F353-F361 WeakPolarHBondContact CA-O 3.46Å; F353-F361 WeakPolarHBondContact CB-O 3.47Å
354	L	91.5	Very high	90.6	Very high	69 Å²	69	77.2 Å²	77.2	36%	0.361	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	109.1	175	-91.1	160.1	0	0	0	108.8	F361 R364	L354-F361 HydrophobicContact CB-CB 4.39Å; L354-F361 PolarHBondContact N-O 3.21Å; L354-F361 WeakPolarHBondContact O-CD2 3.47Å; L354-F361 PolarHBondContact O-N 3.47Å; L354-R364 HydrophobicContact CD1-CB 4.47Å; L354-R364 HydrophobicContact CD1-CG 3.65Å
355	P	91.5	Very high	90.4	Very high	48 Å²	48	76.5 Å²	76.5	31%	0.312	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	132.5	169.9	29.9	-28.4	0	0	0	110.1	Y327 F353 Q359	Y327-P355 HydrophobicContact CD1-CB 3.91Å; Y327-P355 HydrophobicContact CD1-CG 4.26Å; Y327-P355 HydrophobicContact CE1-CB 3.41Å; Y327-P355 VanDerWaalsContact CE1-CB 3.41Å; Y327-P355 HydrophobicContact CE1-CG 3.44Å; Y327-P355 VanDerWaalsContact CE1-CG 3.44Å; Y327-P355 HydrophobicContact CE2-CG 4.24Å; Y327-P355 VanDerWaalsContact CZ-CG 3.45Å; Y327-P355 WeakPolarHBondContact OH-CG 3.27Å; F353-P355 HydrophobicContact CE2-CB 4.32Å; F353-P355 HydrophobicContact CE2-CG 4.29Å; P355-Q359 CarbonylContact C-O 3.44Å; P355-Q359 WeakPolarHBondContact CA-O 3.33Å
356	K	89.1	Confident	90.3	Very high	93 Å²	93	70.6 Å²	70.6	40%	0.404	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	126.3	179.6	179	-179	174.6	-174.8	0	109.3	G358 Q359 F361 S367	K356-G358 VanDerWaalsContact C-N 3.32Å; K356-G358 PolarHBondContact O-N 3.1Å; K356-Q359 PolarHBondContact N-O 2.85Å; K356-Q359 PolarHBondContact O-N 3.22Å; K356-F361 HydrophobicContact CB-CD2 4.21Å; K356-F361 HydrophobicContact CB-CE2 4.01Å; K356-S367 PolarHBondContact NZ-O 2.59Å
357	Q	83.8	Confident	90.1	Very high	181 Å²	181	66 Å²	66	85%	0.846	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	40	175.5	-63.4	174.6	-29.9	0	0	114.6	Q359	Q357-Q359 VanDerWaalsContact C-N 3.33Å
358	G	83.5	Confident	89.7	Confident	52 Å²	52	68.6 Å²	68.6	54%	0.536	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	27.6	-177.9	0	0	0	0	0	114.1	Q330 K356	Q330-G358 PolarHBondContact OE1-O 3.01Å; K356-G358 VanDerWaalsContact C-N 3.32Å; K356-G358 PolarHBondContact O-N 3.1Å
359	Q	89.7	Confident	88.8	Confident	102 Å²	102	70.6 Å²	70.6	48%	0.477	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	150.8	173.9	-64.3	-173.8	16.8	0	0	110.6	A342 P355 K356 Q357 F361	A342-Q359 HydrophobicContact CB-CB 4.02Å; A342-Q359 HydrophobicContact CB-CG 4.44Å; P355-Q359 CarbonylContact C-O 3.44Å; P355-Q359 WeakPolarHBondContact CA-O 3.33Å; K356-Q359 PolarHBondContact N-O 2.85Å; K356-Q359 PolarHBondContact O-N 3.22Å; Q357-Q359 VanDerWaalsContact C-N 3.33Å; Q359-F361 HydrophobicContact CB-CE2 3.62Å; Q359-F361 HydrophobicContact CB-CZ 3.74Å
360	I	92.7	Very high	87.8	Confident	6 Å²	6	74 Å²	74	3%	0.031	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	135.5	-178.1	57.5	-179.8	0	0	0	111.5	W332 F339 C341 A342 L348 F353	W332-I360 HydrophobicContact CD2-CD1 4.33Å; W332-I360 HydrophobicContact CH2-CD1 4.35Å; W332-I360 HydrophobicContact CH2-CG2 3.94Å; W332-I360 HydrophobicContact CZ2-CD1 3.99Å; W332-I360 HydrophobicContact CZ2-CG1 4.42Å; W332-I360 HydrophobicContact CZ2-CG2 4.16Å; F339-I360 HydrophobicContact CD2-CD1 3.58Å; F339-I360 HydrophobicContact CE2-CD1 3.52Å; F339-I360 HydrophobicContact CG-CD1 4.3Å; F339-I360 HydrophobicContact CZ-CD1 4.18Å; C341-I360 CarbonylContact C-O 3.56Å; C341-I360 WeakPolarHBondContact CA-O 3.49Å; A342-I360 PolarHBondContact N-O 2.96Å; L348-I360 HydrophobicContact CD1-CB 3.88Å; L348-I360 HydrophobicContact CD1-CD1 3.72Å; L348-I360 HydrophobicContact CD1-CG1 3.68Å; F353-I360 HydrophobicContact CD2-CB 4.05Å; F353-I360 HydrophobicContact CD2-CG2 3.78Å; F353-I360 HydrophobicContact CE2-CG2 3.87Å
361	F	93.3	Very high	86.4	Confident	19 Å²	19	75.4 Å²	75.4	8%	0.083	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	148.2	-173.4	-59.3	-86.6	0	0	0	112.5	A342 H343 F353 L354 K356 Q359 C366	A342-F361 HydrophobicContact CB-CD1 4.33Å; A342-F361 HydrophobicContact CB-CE1 3.87Å; A342-F361 HydrophobicContact CB-CZ 4.16Å; H343-F361 HydrophobicContact CB-CD1 4.31Å; H343-F361 HydrophobicContact CB-CE1 4.35Å; F353-F361 CarbonylContact C-O 3.57Å; F353-F361 VanDerWaalsContact CA-O 3.27Å; F353-F361 WeakPolarHBondContact CA-O 3.46Å; F353-F361 WeakPolarHBondContact CB-O 3.47Å; L354-F361 HydrophobicContact CB-CB 4.39Å; L354-F361 PolarHBondContact N-O 3.21Å; L354-F361 WeakPolarHBondContact O-CD2 3.47Å; L354-F361 PolarHBondContact O-N 3.47Å; K356-F361 HydrophobicContact CB-CD2 4.21Å; K356-F361 HydrophobicContact CB-CE2 4.01Å; Q359-F361 HydrophobicContact CB-CE2 3.62Å; Q359-F361 HydrophobicContact CB-CZ 3.74Å; F361-C366 HydrophobicContact CB-CB 4.46Å; F361-C366 VanDerWaalsContact CD1-C 3.48Å; F361-C366 HydrophobicContact CD1-CB 4.28Å; F361-C366 WeakPolarHBondContact CD1-O 3.48Å; F361-C366 VanDerWaalsContact CE1-O 3.25Å; F361-C366 WeakPolarHBondContact CE1-O 3.4Å
362	C	93.6	Very high	84.9	Confident	42 Å²	42	73.8 Å²	73.8	28%	0.284	42%	0.417	S	S	.	.	S	Bend	trans	-82.2	-14.7	179.4	65.2	0	0	0	0	114.5	C341 C344 L348	C341-C362 HydrophobicContact CB-CB 3.99Å; C341-C362 PolarHBondContact SG-N 3.46Å; C341-C362 VanDerWaalsContact SG-N 3.39Å; C344-C362 PolarHBondContact SG-SG 3.39Å; L348-C362 HydrophobicContact CD2-CB 3.59Å
363	S	91.9	Very high	83.4	Confident	43 Å²	43	75.5 Å²	75.5	30%	0.301	42%	0.419	S	S	.	.	S	Bend	trans	-163	165.7	-173.8	70.4	0	0	0	0	111.4	C366 S367	S363-C366 PolarHBondContact O-N 3.39Å; S363-C366 PolarHBondContact OG-N 2.79Å; S363-S367 PolarHBondContact O-N 2.92Å; S363-S367 VanDerWaalsContact O-N 3.13Å
364	R	89.1	Confident	81.4	Confident	208 Å²	208	75.7 Å²	75.7	79%	0.785	44%	0.439	S	S	*	.	H	α-helix	trans	-59.7	-44.7	175.4	-74.4	-174.7	174.7	177	-1.5	112.1	L354 C366 S367 A368	L354-R364 HydrophobicContact CD1-CB 4.47Å; L354-R364 HydrophobicContact CD1-CG 3.65Å; R364-C366 PolarHBondContact O-N 2.87Å; R364-S367 WeakPolarHBondContact CA-OG 3.31Å; R364-S367 CarbonylContact O-C 3.6Å; R364-S367 WeakPolarHBondContact O-CA 3.3Å; R364-S367 WeakPolarHBondContact O-CB 3.37Å; R364-S367 PolarHBondContact O-N 2.85Å; R364-S367 PolarHBondContact O-OG 2.84Å; R364-A368 PolarHBondContact O-N 3.27Å
365	A	88.2	Confident	79.4	Confident	37 Å²	37	77.7 Å²	77.7	31%	0.306	46%	0.459	S	S	.	.	H	α-helix	trans	-55.7	-49.2	177.5	0	0	0	0	0	112.7	S367 A368 G369 E370	A365-S367 PolarHBondContact O-N 2.88Å; A365-A368 WeakPolarHBondContact O-CB 3.49Å; A365-A368 PolarHBondContact O-N 3.34Å; A365-G369 PolarHBondContact O-N 3.21Å; A365-G369 VanDerWaalsContact O-N 3.15Å; A365-E370 VanDerWaalsContact CA-OE2 3.22Å; A365-E370 WeakPolarHBondContact CA-OE2 3.17Å; A365-E370 HydrophobicContact CB-CB 4.18Å; A365-E370 WeakPolarHBondContact CB-OE2 3.22Å; A365-E370 PolarHBondContact O-N 2.78Å
366	C	88.1	Confident	77.6	Confident	11 Å²	11	81.9 Å²	81.9	7%	0.074	48%	0.478	C	S	.	.	H	α-helix	trans	-63.5	-28.1	175.1	-77.6	0	0	0	0	113.3	H343 C344 F361 S363 R364	H343-C366 HydrophobicContact CB-CB 4.01Å; C344-C366 VanDerWaalsContact SG-SG 3.68Å; F361-C366 HydrophobicContact CB-CB 4.46Å; F361-C366 VanDerWaalsContact CD1-C 3.48Å; F361-C366 HydrophobicContact CD1-CB 4.28Å; F361-C366 WeakPolarHBondContact CD1-O 3.48Å; F361-C366 VanDerWaalsContact CE1-O 3.25Å; F361-C366 WeakPolarHBondContact CE1-O 3.4Å; S363-C366 PolarHBondContact O-N 3.39Å; S363-C366 PolarHBondContact OG-N 2.79Å; R364-C366 PolarHBondContact O-N 2.87Å
367	S	87.9	Confident	75.5	Confident	23 Å²	23	83 Å²	83	16%	0.161	50%	0.498	C	S	.	.	H	α-helix	trans	-82.3	-10.4	173.4	81	0	0	0	0	114.1	K356 S363 R364 A365	K356-S367 PolarHBondContact NZ-O 2.59Å; S363-S367 PolarHBondContact O-N 2.92Å; S363-S367 VanDerWaalsContact O-N 3.13Å; R364-S367 WeakPolarHBondContact CA-OG 3.31Å; R364-S367 CarbonylContact O-C 3.6Å; R364-S367 WeakPolarHBondContact O-CA 3.3Å; R364-S367 WeakPolarHBondContact O-CB 3.37Å; R364-S367 PolarHBondContact O-N 2.85Å; R364-S367 PolarHBondContact O-OG 2.84Å; A365-S367 PolarHBondContact O-N 2.88Å
368	A	85.3	Confident	74	Confident	63 Å²	63	80.3 Å²	80.3	52%	0.521	50%	0.499	S	S	.	.	H	α-helix	trans	-96.2	-17.6	176.6	0	0	0	0	0	112.6	R364 A365 E370	R364-A368 PolarHBondContact O-N 3.27Å; A365-A368 WeakPolarHBondContact O-CB 3.49Å; A365-A368 PolarHBondContact O-N 3.34Å; A368-E370 HydrophobicContact CB-CG 4.06Å
369	G	75.2	Confident	72.5	Confident	44 Å²	44	84.1 Å²	84.1	45%	0.454	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	20.3	-172.5	0	0	0	0	0	113.1	A365 D371	A365-G369 PolarHBondContact O-N 3.21Å; A365-G369 VanDerWaalsContact O-N 3.15Å; G369-D371 PolarHBondContact O-N 3.24Å
370	E	70	Confident	70.6	Confident	120 Å²	120	85 Å²	85	56%	0.561	53%	0.525	S	S	*	.			trans	-73.6	124	175	-68.5	168	174.9	0	0	109.5	H343 A365 A368	H343-E370 PolarHBondContact CE1-O 3.33Å; A365-E370 VanDerWaalsContact CA-OE2 3.22Å; A365-E370 WeakPolarHBondContact CA-OE2 3.17Å; A365-E370 HydrophobicContact CB-CB 4.18Å; A365-E370 WeakPolarHBondContact CB-OE2 3.22Å; A365-E370 PolarHBondContact O-N 2.78Å; A368-E370 HydrophobicContact CB-CG 4.06Å
371	D	59.9	Low	68.5	Low	121 Å²	121	88 Å²	88	65%	0.647	55%	0.55	S	S	*	.			trans	-63.2	126.4	-177.9	-86	-54.8	0	0	0	111.7	G369 N373 G374	G369-D371 PolarHBondContact O-N 3.24Å; D371-N373 PolarHBondContact O-N 3.15Å; D371-G374 PolarHBondContact O-N 2.77Å
372	P	57.8	Low	66.4	Low	87 Å²	87	96.6 Å²	96.6	57%	0.565	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	-19.5	174.4	-24.1	34.3	0	0	0	113.7
373	N	55.7	Low	64.2	Low	155 Å²	155	102.9 Å²	102.9	83%	0.829	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	3.8	179.6	-140.6	107.6	0	0	0	113.6	D371 S375	D371-N373 PolarHBondContact O-N 3.15Å; N373-S375 VanDerWaalsContact C-N 3.25Å
374	G	51.6	Low	61.9	Low	66 Å²	66	107.9 Å²	107.9	68%	0.68	64%	0.636	S	S	*	*			trans	-83	6.2	171.5	0	0	0	0	0	114.3	D371	D371-G374 PolarHBondContact O-N 2.77Å
375	S	50.5	Low	59.7	Low	111 Å²	111	102.2 Å²	102.2	78%	0.776	63%	0.634	S	S	*	*			trans	-106.7	64.5	-178.4	-65.2	0	0	0	0	112.6	N373	N373-S375 VanDerWaalsContact C-N 3.25Å
376	D	53.8	Low	57.6	Low	136 Å²	136	112 Å²	112	73%	0.727	66%	0.663	S	S	*	*			trans	-132.7	100.5	156.8	-172.7	14.2	0	0	0	111.3
377	S	43.2	Very low	55.3	Low	117 Å²	117	116 Å²	116	82%	0.818	70%	0.697	S	S	*	*			trans	-163	99.8	152.5	-82.7	0	0	0	0	108.4	D379	S377-D379 VanDerWaalsContact C-N 3.35Å; S377-D379 PolarHBondContact O-N 3.25Å; S377-D379 VanDerWaalsContact O-N 3.08Å
378	S	52.1	Low	53.2	Low	124 Å²	124	123.2 Å²	123.2	87%	0.867	73%	0.726	S	S	*	*			trans	-81.2	74	178.2	-64.1	0	0	0	0	111.9
379	D	53.3	Low	51.1	Low	131 Å²	131	126.5 Å²	126.5	70%	0.701	73%	0.73	S	S	*	*			trans	-151.9	123.7	154.6	-161.9	7.1	0	0	0	114.1	S377 A381	S377-D379 VanDerWaalsContact C-N 3.35Å; S377-D379 PolarHBondContact O-N 3.25Å; S377-D379 VanDerWaalsContact O-N 3.08Å; D379-A381 PolarHBondContact OD1-N 2.95Å
380	S	49.5	Very low	49.2	Very low	122 Å²	122	127.7 Å²	127.7	85%	0.853	73%	0.732	S	S	*	*			trans	-174.4	42.3	154.5	-81.2	0	0	0	0	109.6
381	A	48.4	Very low	47.9	Very low	67 Å²	67	132.1 Å²	132.1	55%	0.554	74%	0.743	S	S	*	*			trans	-76.2	145.3	161.1	0	0	0	0	0	108.2	D379	D379-A381 PolarHBondContact OD1-N 2.95Å
382	F	50	Low	47	Very low	201 Å²	201	138 Å²	138	88%	0.882	76%	0.756	S	S	*	*	S	Bend	trans	66.9	56.2	173.7	-48.8	-82.2	0	0	0	119.1
383	Q	46.5	Very low	46	Very low	173 Å²	173	139 Å²	139	81%	0.808	77%	0.765	S	S	*	*			trans	-147.2	133.1	131.2	-63.6	-161.2	19.8	0	0	107.9
384	N	43	Very low	45.1	Very low	149 Å²	149	135.5 Å²	135.5	80%	0.797	76%	0.758	S	S	*	*			cis	-134.6	141.2	22.7	-86.8	-73.3	0	0	0	113.5
385	A	43.9	Very low	44.6	Very low	89 Å²	89	141.5 Å²	141.5	74%	0.736	77%	0.766	S	S	*	*			trans	-114.9	146.1	153.8	0	0	0	0	0	108.8
386	R	42.8	Very low	44	Very low	242 Å²	242	143.5 Å²	143.5	91%	0.913	77%	0.766	S	S	*	*			trans	88.1	82.8	178.5	-52.7	173.3	174.6	174.3	-0.8	118.2
387	A	41.5	Very low	43	Very low	96 Å²	96	140.1 Å²	140.1	79%	0.793	76%	0.763	S	S	*	*				-154.7	120.7	120.4	0	0	0	0	0	106.3
388	K	43.8	Very low	42.7	Very low	174 Å²	174	142.9 Å²	142.9	76%	0.757	76%	0.761	S	S	*	*			cis	62.2	127.2	39	-80.8	-168.2	171.9	-76.4	0	113
389	E	41.4	Very low	41.9	Very low	132 Å²	132	144.2 Å²	144.2	62%	0.617	76%	0.758	S	S	*	*			cis	-163.9	165.9	5.3	-174.7	57.3	-92.7	0	0	111.8
390	S	35.1	Very low	40.9	Very low	69 Å²	69	148.4 Å²	148.4	48%	0.483	77%	0.77	S	S	.	*			trans	75.1	132.6	163.2	79	0	0	0	0	116
391	R	42.8	Very low	40	Very low	213 Å²	213	146 Å²	146	80%	0.804	77%	0.765	S	S	*	*			cis	-142.8	168.7	25.2	-40.6	82.3	-131.3	-120.2	-6.8	109.7
392	R	40	Very low	39.4	Very low	243 Å²	243	152 Å²	152	92%	0.917	78%	0.778	S	S	*	*			cis	-157.9	-159.9	1.2	-140.4	175.9	-174.6	-176	2	111.4
393	S	36.7	Very low	38.4	Very low	108 Å²	108	146.7 Å²	146.7	76%	0.755	76%	0.762	S	S	*	*			trans	-73	174.6	179.8	-37.8	0	0	0	0	115.7
394	A	37.3	Very low	37.6	Very low	83 Å²	83	145.4 Å²	145.4	69%	0.686	76%	0.756	S	S	*	*			cis	-157.6	142.2	6.5	0	0	0	0	0	110.8
395	K	41.5	Very low	37.1	Very low	192 Å²	192	146.8 Å²	146.8	84%	0.835	76%	0.758	S	S	*	*				86.4	144	86.3	-76.1	-166.6	173.4	-174.5	0	117.9
396	I	36.4	Very low	37.4	Very low	153 Å²	153	146.7 Å²	146.7	79%	0.785	75%	0.75	S	S	*	*			trans	71.7	142.4	179	-77.8	65.4	0	0	0	113.4
397	G	34.2	Very low	36.6	Very low	65 Å²	65	142.4 Å²	142.4	67%	0.67	74%	0.742	S	S	*	*			cis	152	164	-4.5	0	0	0	0	0	111
398	K	37.1	Very low	36	Very low	175 Å²	175	144.7 Å²	144.7	76%	0.761	74%	0.741	S	S	*	*			cis	-161.9	148.8	1.8	-45	169.9	-170.9	167	0	111.9
399	N	34.6	Very low	35.2	Very low	152 Å²	152	142.3 Å²	142.3	81%	0.813	74%	0.736	S	S	*	*			trans	70.6	146.6	146.3	-62.9	2.8	0	0	0	125.2
400	K	33	Very low	34.7	Very low	218 Å²	218	143 Å²	143	95%	0.948	74%	0.739	S	S	*	*			trans	67.2	126.2	164.6	-71.1	-173.7	174.1	-174.9	0	118.8
401	G	30.6	Very low	34.4	Very low	73 Å²	73	147.6 Å²	147.6	75%	0.753	75%	0.753	S	S	*	*			cis	142.4	152.3	-21.3	0	0	0	0	0	116.4
402	K	34.1	Very low	33.8	Very low	191 Å²	191	141.1 Å²	141.1	83%	0.83	74%	0.74	S	S	*	*			trans	68.3	149.8	166	-80.3	-170	157.2	-89.5	0	117.2	E404	K402-E404 IonicContact NZ-OE1 3.67Å; K402-E404 PolarHBondContact NZ-OE1 2.98Å
403	T	29.5	Very low	33.3	Very low	90 Å²	90	137.3 Å²	137.3	55%	0.552	73%	0.732	S	S	*	*			cis	-160	137.2	1.9	-113.6	0	0	0	0	112.2
404	E	30.4	Very low	32.9	Very low	146 Å²	146	139.7 Å²	139.7	68%	0.682	74%	0.736	S	S	*	*			trans	51.8	135.5	145	-63.5	134.5	-114.1	0	0	126.3	K402	K402-E404 IonicContact NZ-OE1 3.67Å; K402-E404 PolarHBondContact NZ-OE1 2.98Å
405	E	32.5	Very low	32.4	Very low	178 Å²	178	144.1 Å²	144.1	83%	0.832	74%	0.743	S	S	*	*			trans	71.8	151.3	143.9	-66.4	-55.4	94.4	0	0	124.9
406	P	49.1	Very low	31.8	Very low	87 Å²	87	141.5 Å²	141.5	57%	0.565	74%	0.742	S	S	*	*			trans	-110.4	174.3	-172.2	43.1	-35.6	0	0	0	114.8
407	M	27.6	Very low	31.3	Very low	152 Å²	152	139.9 Å²	139.9	75%	0.749	74%	0.744	S	S	*	*			trans	162.9	142.8	137.5	-91.5	-66.3	114.5	0	0	112.6
408	L	28.9	Very low	31.2	Very low	145 Å²	145	141.7 Å²	141.7	76%	0.759	75%	0.747	S	S	*	*			trans	57.2	154.2	156.8	-86	82.8	0	0	0	119.3
409	N	26.9	Very low	30.8	Very low	124 Å²	124	140.4 Å²	140.4	66%	0.663	75%	0.748	S	S	*	*			cis	-172.8	170.4	-16.5	-171.2	8.3	0	0	0	109
410	Q	31	Very low	30.5	Very low	146 Å²	146	143.9 Å²	143.9	68%	0.682	75%	0.75	S	S	*	*			trans	78.2	123.5	157.2	-56	-153.9	19.8	0	0	121.7
411	H	29.1	Very low	30.3	Very low	166 Å²	166	141.7 Å²	141.7	77%	0.769	75%	0.748	S	S	*	*			trans	56.5	142.5	131.3	-75.5	-71.3	0	0	0	121.7
412	S	29.2	Very low	30.5	Very low	76 Å²	76	144.2 Å²	144.2	53%	0.531	75%	0.754	S	S	.	*			cis	-163.4	165.3	-6.6	-145.4	0	0	0	0	110.4
413	Q	30.3	Very low	30.5	Very low	163 Å²	163	139.4 Å²	139.4	76%	0.762	75%	0.75	S	S	*	*			trans	54.4	112.5	154.3	-73.6	155.9	-43.3	0	0	118.5
414	L	27.7	Very low	30.6	Very low	159 Å²	159	142.9 Å²	142.9	83%	0.832	77%	0.765	S	S	*	*				86.2	135	68.1	-83.3	175.7	0	0	0	115
415	Q	27.9	Very low	31.2	Very low	176 Å²	176	142.9 Å²	142.9	82%	0.822	77%	0.774	S	S	*	*			trans	67.7	112.8	177	-57.7	-171.3	-11.5	0	0	114.6
416	V	27.7	Very low	31.4	Very low	137 Å²	137	141.4 Å²	141.4	83%	0.83	77%	0.772	S	S	*	*				67.6	84.8	62.7	-176.6	0	0	0	0	112.1
417	S	26.3	Very low	30.9	Very low	118 Å²	118	141.9 Å²	141.9	83%	0.825	78%	0.775	S	S	*	*				-169.4	158.3	115	39	0	0	0	0	112.2
418	S	31.1	Very low	31.3	Very low	103 Å²	103	142 Å²	142	72%	0.72	78%	0.778	S	S	*	*			trans	-38.4	151.6	-178.8	-42.5	0	0	0	0	117.2
419	N	28.6	Very low	32	Very low	149 Å²	149	141 Å²	141	80%	0.797	78%	0.784	S	S	*	*				-176.7	164.7	109.9	-96.6	-49.2	0	0	0	114.2
420	R	30	Very low	32.4	Very low	225 Å²	225	141.1 Å²	141.1	85%	0.849	78%	0.783	S	S	*	*			trans	74.3	115.8	171.6	-43.6	-167.3	-175.2	-143.9	-5	113.3
421	L	28	Very low	32.5	Very low	171 Å²	171	143 Å²	143	90%	0.895	79%	0.792	S	S	*	*				67.7	124.3	61.9	-67.1	174.6	0	0	0	112.6
422	S	35.3	Very low	32.6	Very low	127 Å²	127	142.6 Å²	142.6	89%	0.888	79%	0.793	S	S	*	*			trans	-63.9	137.8	-176.3	-42.2	0	0	0	0	113.4
423	A	34	Very low	32.8	Very low	89 Å²	89	145.4 Å²	145.4	74%	0.736	80%	0.802	S	S	*	*			trans	-135.2	171.6	142.7	0	0	0	0	0	107.1
424	D	31.7	Very low	32.7	Very low	164 Å²	164	145 Å²	145	88%	0.877	80%	0.802	S	S	*	*			trans	73.6	71.1	179.2	-52.6	-12.3	0	0	0	115.7
425	V	42	Very low	33	Very low	145 Å²	145	144.3 Å²	144.3	88%	0.879	80%	0.798	S	S	*	*			trans	-104	108.9	149.8	175.1	0	0	0	0	107
426	D	36.4	Very low	33.3	Very low	147 Å²	147	140.3 Å²	140.3	79%	0.786	79%	0.79	S	S	*	*			trans	-162.1	159	172.4	-140.8	38.2	0	0	0	110.1
427	P	40.1	Very low	33.5	Very low	97 Å²	97	141.2 Å²	141.2	63%	0.63	79%	0.789	S	S	*	*				-131.8	-158.1	-70.2	38.7	-24.9	0	0	0	113.6
428	L	34.9	Very low	33.6	Very low	154 Å²	154	140.8 Å²	140.8	81%	0.806	79%	0.786	S	S	*	*			trans	83.8	44.8	174.2	-51.8	-174.9	0	0	0	117.7
429	S	43	Very low	33.7	Very low	126 Å²	126	140.4 Å²	140.4	88%	0.881	78%	0.783	S	S	*	*	S	Bend	trans	-102.4	41.6	142.1	70.3	0	0	0	0	111.5
430	L	35.5	Very low	34.1	Very low	125 Å²	125	142.2 Å²	142.2	65%	0.654	79%	0.787	S	S	*	*			trans	-151.1	97.8	-175	-109.9	174.4	0	0	0	112.8
431	Q	33.8	Very low	34.2	Very low	185 Å²	185	137.4 Å²	137.4	86%	0.864	78%	0.783	S	S	*	*			trans	-169.6	141.8	137	-107.9	-168	-34.7	0	0	108.9
432	M	30.2	Very low	34.6	Very low	158 Å²	158	135.1 Å²	135.1	78%	0.778	78%	0.778	S	S	*	*			cis	-116.7	128.2	0.5	-67.5	-174.2	-69.7	0	0	111.4
433	D	34.7	Very low	34.2	Very low	136 Å²	136	134.6 Å²	134.6	73%	0.727	78%	0.775	S	S	*	*			trans	-81	143.7	151.8	-140.4	-20.8	0	0	0	108.1
434	M	27.4	Very low	34.1	Very low	155 Å²	155	138.3 Å²	138.3	76%	0.764	78%	0.781	S	S	*	*			trans	-143.4	71.7	175.3	-93.8	-74.1	-72.8	0	0	110
435	L	35.2	Very low	33.9	Very low	144 Å²	144	138.7 Å²	138.7	75%	0.754	78%	0.783	S	S	*	*			trans	47.3	132.1	140.2	-51.2	177.2	0	0	0	119.1
436	S	34.2	Very low	33.3	Very low	92 Å²	92	142.8 Å²	142.8	64%	0.643	78%	0.783	S	S	*	*			cis	-174.5	175.9	1.5	-94.4	0	0	0	0	111.5
437	L	30.5	Very low	32.8	Very low	155 Å²	155	142.1 Å²	142.1	81%	0.812	78%	0.779	S	S	*	*			trans	103.6	118.9	149.6	-54.4	-177.5	0	0	0	120.1
438	S	29.1	Very low	33.5	Very low	110 Å²	110	142.6 Å²	142.6	77%	0.769	78%	0.782	S	S	*	*			trans	63.3	146.3	141.1	54.6	0	0	0	0	121.9
439	S	33	Very low	33.3	Very low	94 Å²	94	142.1 Å²	142.1	66%	0.657	78%	0.779	S	S	*	*			cis	-175.6	131	-17.2	50.7	0	0	0	0	113.6
440	Q	36.9	Very low	32.6	Very low	187 Å²	187	147.1 Å²	147.1	87%	0.874	78%	0.779	S	S	*	*			trans	64	165.7	154.3	-53.4	172.7	25.7	0	0	116.7
441	T	31.6	Very low	32.3	Very low	124 Å²	124	151.9 Å²	151.9	76%	0.761	79%	0.788	S	S	*	*			cis	-134.7	172.6	11.4	47.4	0	0	0	0	112.4
442	P	36.2	Very low	31.8	Very low	124 Å²	124	147.4 Å²	147.4	81%	0.805	78%	0.778	S	S	*	*			trans	-111.1	175.8	-169.2	41.6	-34.6	0	0	0	116.4
443	S	27.3	Very low	31.6	Very low	116 Å²	116	149.3 Å²	149.3	81%	0.811	78%	0.776	S	S	*	*			trans	-130.4	162.2	165.2	62.1	0	0	0	0	111.7
444	L	31.4	Very low	31.1	Very low	166 Å²	166	149.6 Å²	149.6	87%	0.869	77%	0.773	S	S	*	*			trans	-138.7	149.2	-175.1	-70.2	174.6	0	0	0	112
445	N	28.1	Very low	31	Very low	173 Å²	173	150.4 Å²	150.4	93%	0.925	78%	0.775	S	S	*	*			trans	-161	141.8	158.1	-99.1	-28.7	0	0	0	109.7
446	R	29.2	Very low	31.1	Very low	230 Å²	230	147.3 Å²	147.3	87%	0.868	76%	0.763	S	S	*	*			trans	-161.4	145.9	167.4	-149	-160.7	179.1	-77.8	-1.4	113.3
447	D	26.4	Very low	30.7	Very low	133 Å²	133	153.3 Å²	153.3	71%	0.711	77%	0.773	S	S	*	*			trans	-104.8	173.5	-174.5	-90.6	-55.1	0	0	0	114.9
448	P	54.4	Low	30.5	Very low	107 Å²	107	155.5 Å²	155.5	70%	0.695	78%	0.779	S	S	*	*			trans	-129.1	-153.5	-142.6	39.4	-20.5	0	0	0	116.4
449	I	30.2	Very low	30.3	Very low	144 Å²	144	161.4 Å²	161.4	74%	0.738	79%	0.786	S	S	*	*			trans	125.1	97.7	151.6	-60.2	177.8	0	0	0	118.5
450	W	29.1	Very low	29.9	Very low	231 Å²	231	160.6 Å²	160.6	88%	0.875	79%	0.793	S	S	*	*			trans	41.3	136.1	130.6	-69.8	103.3	0	0	0	128
451	R	29.4	Very low	29.4	Very low	225 Å²	225	159.1 Å²	159.1	85%	0.849	79%	0.791	S	S	*	*				144.7	148.3	124.7	-85.6	-156	-177.1	-119.8	6.3	113.1
452	S	24.3	Very low	29.1	Very low	92 Å²	92	162.5 Å²	162.5	64%	0.643	80%	0.795	S	S	*	*			cis	-129.9	-132.4	-3.3	-77.4	0	0	0	0	109.5
453	R	24.6	Very low	28.7	Very low	197 Å²	197	163.8 Å²	163.8	74%	0.743	79%	0.792	S	S	*	*			cis	-166	125.2	-0	-166.4	-169.6	166.3	-154.1	-15.8	113.2
454	E	25.4	Very low	28.8	Very low	143 Å²	143	165 Å²	165	67%	0.668	79%	0.785	S	S	*	*			trans	54.3	163	154.7	-73.3	145.7	-117.4	0	0	120.6
455	E	24.9	Very low	28.6	Very low	171 Å²	171	163.6 Å²	163.6	80%	0.799	77%	0.774	S	S	*	*			cis	-148.7	177.6	8.9	-118.7	-125.2	123.9	0	0	112.1
456	P	37.5	Very low	28.5	Very low	79 Å²	79	161 Å²	161	51%	0.513	76%	0.76	S	S	.	*			trans	-122.4	173	-173.7	36.8	-19.9	0	0	0	118.3
457	Y	25.5	Very low	28.4	Very low	218 Å²	218	157.3 Å²	157.3	86%	0.855	75%	0.753	S	S	*	*			trans	72.4	127.7	169	-58.7	-79.1	0	0	0	120.7
458	H	26.3	Very low	28.5	Very low	201 Å²	201	155.2 Å²	155.2	93%	0.931	75%	0.749	S	S	*	*				-167.8	178.8	116.2	-115.5	14.8	0	0	0	114.8
459	Y	24.4	Very low	27.2	Very low	234 Å²	234	159.3 Å²	159.3	92%	0.918	76%	0.759	S	S	*	*			trans	-116.8	142.3	-164.6	-150.7	-94.9	0	0	0	110.6
460	G	25.4	Very low	27.5	Very low	77 Å²	77	157.5 Å²	157.5	79%	0.794	76%	0.758	S	S	*	*			trans	-178.4	136	176.6	0	0	0	0	0	115.4
461	N	25.6	Very low	27.9	Very low	156 Å²	156	152.7 Å²	152.7	83%	0.834	76%	0.757	S	S	*	*			trans	-139.7	124.4	-177.2	-163.4	-7.3	0	0	0	110.2
462	K	26.3	Very low	28.1	Very low	195 Å²	195	149.6 Å²	149.6	85%	0.848	76%	0.756	S	S	*	*			trans	166.2	131.3	166.2	-93.2	151.4	-174.4	-177	0	107.3
463	M	26.6	Very low	28.5	Very low	152 Å²	152	152.9 Å²	152.9	75%	0.749	76%	0.761	S	S	*	*			cis	97.7	114.3	36.7	-176.9	170	173.7	0	0	112
464	E	29	Very low	28.7	Very low	142 Å²	142	151.2 Å²	151.2	66%	0.664	77%	0.767	S	S	*	*			trans	67.8	156.5	167.7	-70.4	-170.3	107.8	0	0	116.9
465	Q	27.9	Very low	28.9	Very low	135 Å²	135	151.1 Å²	151.1	63%	0.631	77%	0.77	S	S	*	*			cis	-159.9	151.9	2.3	-132.9	178.3	51	0	0	111.4
466	N	25.8	Very low	29.1	Very low	118 Å²	118	147.2 Å²	147.2	63%	0.631	76%	0.762	S	S	*	*			trans	58.7	171.9	152.4	-78.1	-44.2	0	0	0	118
467	Q	27.8	Very low	28.8	Very low	153 Å²	153	152.3 Å²	152.3	72%	0.715	78%	0.778	S	S	*	*			cis	-149.1	123.4	-13.3	-116.6	152.6	35.8	0	0	105.5
468	S	27.6	Very low	29.1	Very low	90 Å²	90	148.5 Å²	148.5	63%	0.629	78%	0.782	S	S	*	*				78.9	137.4	87	86.7	0	0	0	0	117.4
469	Q	27.7	Very low	29.1	Very low	193 Å²	193	146.4 Å²	146.4	90%	0.902	78%	0.778	S	S	*	*			trans	88.5	143.9	157.5	-58.7	-178.2	8.4	0	0	120.5
470	S	35.3	Very low	29.3	Very low	105 Å²	105	143.1 Å²	143.1	73%	0.734	78%	0.775	S	S	*	*			trans	-100.2	179.9	172.6	55.3	0	0	0	0	110.8
471	P	37.5	Very low	29.6	Very low	130 Å²	130	150.1 Å²	150.1	84%	0.844	78%	0.777	S	S	*	*				-144.6	-175.9	105.5	37.6	-22	0	0	0	115
472	L	35.4	Very low	29.7	Very low	160 Å²	160	148.2 Å²	148.2	84%	0.838	77%	0.771	S	S	*	*			trans	-98.7	178	-175.8	-73.6	164.9	0	0	0	113.5
473	Q	32.6	Very low	29.8	Very low	161 Å²	161	143.5 Å²	143.5	75%	0.752	76%	0.763	S	S	*	*			trans	101.5	124.1	131.4	-162.1	168.7	-4.3	0	0	118.9
474	L	27.8	Very low	29.7	Very low	163 Å²	163	146.4 Å²	146.4	85%	0.853	77%	0.767	S	S	*	*				-175.4	-171.3	122.8	-97	168.5	0	0	0	112.2
475	L	30.8	Very low	29.9	Very low	141 Å²	141	144.9 Å²	144.9	74%	0.738	77%	0.772	S	S	*	*			trans	-136.3	162.6	-143.8	-105.5	159.7	0	0	0	116.8
476	S	28.2	Very low	30.7	Very low	89 Å²	89	144.4 Å²	144.4	62%	0.622	78%	0.78	S	S	*	*			trans	75.8	120.1	143.1	59.5	0	0	0	0	123.8
477	Q	32.2	Very low	30.9	Very low	185 Å²	185	142.6 Å²	142.6	86%	0.864	79%	0.789	S	S	*	*				63.4	127	126.6	-60.5	177.7	15.6	0	0	122.5
478	C	29.9	Very low	31	Very low	139 Å²	139	138.6 Å²	138.6	94%	0.939	79%	0.79	S	S	*	*				-160.3	165.9	123.6	-100	0	0	0	0	111.1
479	N	28.1	Very low	31.2	Very low	156 Å²	156	144.4 Å²	144.4	83%	0.834	81%	0.807	S	S	*	*			trans	-150.2	145.4	-166.2	-160.5	-1	0	0	0	110.7
480	I	27.3	Very low	31.2	Very low	166 Å²	166	138.5 Å²	138.5	85%	0.851	80%	0.798	S	S	*	*			trans	-160.6	163.1	171	-106.5	149.2	0	0	0	112.3
481	R	31.3	Very low	31	Very low	224 Å²	224	138.7 Å²	138.7	85%	0.845	81%	0.806	S	S	*	*			trans	-94.3	-175.5	-163.5	-50.6	172.2	175.5	-177.4	-2.9	113.2
482	T	28.9	Very low	30.5	Very low	116 Å²	116	136.5 Å²	136.5	71%	0.712	81%	0.807	S	S	*	*			cis	-161.7	148.4	14	-23	0	0	0	0	113.4
483	S	27.3	Very low	30.2	Very low	95 Å²	95	133.4 Å²	133.4	66%	0.664	80%	0.804	S	S	*	*			trans	35.2	132	142.8	63	0	0	0	0	124.3
484	Y	25.7	Very low	29.8	Very low	214 Å²	214	134 Å²	134	84%	0.839	81%	0.807	S	S	*	*				-164.4	157.3	105.1	-127.5	-91.2	0	0	0	112.9
485	S	33.8	Very low	30.8	Very low	109 Å²	109	131.3 Å²	131.3	76%	0.762	80%	0.8	S	S	*	*			trans	-163.6	141.7	172.6	-65.2	0	0	0	0	113.2
486	P	43.9	Very low	30.5	Very low	125 Å²	125	133.1 Å²	133.1	81%	0.812	80%	0.804	S	S	*	*			trans	-130.8	164.5	130.9	37.5	-27.7	0	0	0	110.6
487	G	29.9	Very low	30.4	Very low	80 Å²	80	136.4 Å²	136.4	83%	0.825	81%	0.812	S	S	*	*			cis	102.6	120.2	13.5	0	0	0	0	0	111.6
488	G	30.6	Very low	30.1	Very low	70 Å²	70	139.5 Å²	139.5	72%	0.722	82%	0.815	S	S	*	*			cis	168.3	-175.6	-6.6	0	0	0	0	0	112.7
489	Q	31.8	Very low	30	Very low	211 Å²	211	136 Å²	136	99%	0.986	80%	0.804	S	S	*	*			trans	72.8	154.3	167	-50.8	178.7	9.7	0	0	117.9
490	G	26.1	Very low	30	Very low	70 Å²	70	137.8 Å²	137.8	72%	0.722	80%	0.804	S	S	*	*			cis	-129	179.5	-5.8	0	0	0	0	0	111.9
491	A	31.9	Very low	30.1	Very low	109 Å²	109	137.7 Å²	137.7	90%	0.901	80%	0.799	S	S	*	*			cis	84.3	135.9	27.2	0	0	0	0	0	115.1
492	G	27.4	Very low	29.8	Very low	84 Å²	84	136.2 Å²	136.2	87%	0.866	80%	0.799	S	S	*	*			cis	-93.1	-134.3	-5.9	0	0	0	0	0	114
493	A	28.3	Very low	29.8	Very low	94 Å²	94	136.3 Å²	136.3	78%	0.777	81%	0.805	S	S	*	*			cis	-165.7	162.8	-11.6	0	0	0	0	0	107.7
494	Q	25.6	Very low	30	Very low	174 Å²	174	139.4 Å²	139.4	81%	0.813	81%	0.814	S	S	*	*			cis	87.2	142.3	14.2	-58.9	-60	-35.6	0	0	117
495	P	47.3	Very low	31.3	Very low	107 Å²	107	133.9 Å²	133.9	70%	0.695	80%	0.804	S	S	*	*			cis	-138.5	-176.8	8.6	43.9	-24.6	0	0	0	119
496	E	25.1	Very low	31.1	Very low	179 Å²	179	138.2 Å²	138.2	84%	0.836	81%	0.81	S	S	*	*			trans	73.6	169.1	158.9	-56.5	-162.3	149.1	0	0	121.7
497	M	25.1	Very low	30.5	Very low	158 Å²	158	143 Å²	143	78%	0.778	81%	0.811	S	S	*	*				-175.4	158.8	-68.4	-100.7	-116.6	65.4	0	0	110.3
498	W	25.8	Very low	30.4	Very low	249 Å²	249	143.8 Å²	143.8	94%	0.943	80%	0.804	S	S	*	*			trans	65.5	146.7	-176.6	-67	-6.6	0	0	0	115.9
499	G	28.9	Very low	30.4	Very low	67 Å²	67	146 Å²	146	69%	0.691	81%	0.809	S	S	*	*			cis	166.8	174.2	-10.4	0	0	0	0	0	114.4
500	K	28.9	Very low	30.2	Very low	193 Å²	193	141.7 Å²	141.7	84%	0.839	80%	0.802	S	S	*	*			trans	93.7	110.9	164.6	-56.9	-177.3	179.7	176.8	0	121.3
501	H	27.7	Very low	30.3	Very low	164 Å²	164	146.7 Å²	146.7	76%	0.759	81%	0.811	S	S	*	*			trans	57.2	96.1	132.8	-64	-82.3	0	0	0	124
502	F	26.4	Very low	30.2	Very low	192 Å²	192	146 Å²	146	84%	0.842	81%	0.805	S	S	*	*				28.3	129	125.5	-64.1	-78.6	0	0	0	122.6
503	S	27.5	Very low	30.2	Very low	119 Å²	119	149.7 Å²	149.7	83%	0.832	80%	0.802	S	S	*	*				-169.9	104	124.6	-84.8	0	0	0	0	116.3
504	N	31.4	Very low	30.2	Very low	160 Å²	160	151.2 Å²	151.2	86%	0.856	80%	0.802	S	S	*	*			trans	67.6	170.8	141.7	-110.7	-1.1	0	0	0	120.8
505	P	53.9	Low	30.1	Very low	98 Å²	98	146.3 Å²	146.3	64%	0.636	80%	0.798	S	S	*	*				-139.7	-167.4	-120.4	44.6	-23.9	0	0	0	117.6
506	K	30.5	Very low	29.2	Very low	200 Å²	200	150.9 Å²	150.9	87%	0.87	81%	0.809	S	S	*	*			trans	89.7	136.3	-178.2	-58.9	175	-179.1	173.2	0	112.9
507	R	31.3	Very low	29.2	Very low	225 Å²	225	147.4 Å²	147.4	85%	0.849	81%	0.811	S	S	*	*			cis	-159.9	149.2	-0.9	-149.5	-171.8	-166.1	173.3	2.9	110.8
508	S	27.4	Very low	29.3	Very low	97 Å²	97	143.8 Å²	143.8	68%	0.678	82%	0.815	S	S	*	*			trans	52.3	142	146.9	50.2	0	0	0	0	121.6
509	S	30	Very low	29.3	Very low	116 Å²	116	137.8 Å²	137.8	81%	0.811	81%	0.81	S	S	*	*			cis	-160.6	157.7	-6.3	-96.8	0	0	0	0	112.5
510	S	28.1	Very low	29.2	Very low	121 Å²	121	144.4 Å²	144.4	85%	0.846	82%	0.82	S	S	*	*			trans	-50.1	147.5	-174.9	-40.3	0	0	0	0	118.5
511	L	27.9	Very low	29.3	Very low	174 Å²	174	142 Å²	142	91%	0.911	82%	0.815	S	S	*	*			trans	-114.2	134.7	156.6	-78	165.1	0	0	0	109.3
512	A	29.4	Very low	29.2	Very low	94 Å²	94	142.6 Å²	142.6	78%	0.777	82%	0.816	S	S	*	*			trans	-168.4	114.5	156.2	0	0	0	0	0	113.3
513	M	28.7	Very low	29.2	Very low	162 Å²	162	141.8 Å²	141.8	80%	0.798	82%	0.815	S	S	*	*			trans	24.7	110.3	139.6	-43	-48.4	-80.6	0	0	118.6
514	T	26.9	Very low	29	Very low	127 Å²	127	141.4 Å²	141.4	78%	0.779	81%	0.811	S	S	*	*				62.6	120	69.7	69.5	0	0	0	0	116.3
515	G	25	Very low	28.7	Very low	70 Å²	70	143.1 Å²	143.1	72%	0.722	81%	0.805	S	S	*	*			trans	159.1	79.5	162.8	0	0	0	0	0	116.8
516	H	26.7	Very low	27.3	Very low	204 Å²	204	146.5 Å²	146.5	94%	0.944	81%	0.812	S	S	*	*			trans	-156.1	150.8	153.8	-101	-69.9	0	0	0	110
517	A	26.3	Very low	27.1	Very low	105 Å²	105	142.9 Å²	142.9	87%	0.868	80%	0.803	S	S	*	*			trans	-136.1	162.1	-174.8	0	0	0	0	0	111.7
518	G	26.3	Very low	27.2	Very low	83 Å²	83	142.1 Å²	142.1	86%	0.856	80%	0.801	S	S	*	*			trans	109.9	81.5	172.2	0	0	0	0	0	114.4
519	S	26.7	Very low	27.5	Very low	122 Å²	122	147.4 Å²	147.4	85%	0.853	81%	0.808	S	S	*	*			trans	-106.8	137.8	161.8	-173.6	0	0	0	0	109.6
520	F	26	Very low	27.7	Very low	206 Å²	206	147.8 Å²	147.8	90%	0.904	81%	0.807	S	S	*	*			trans	-73.4	151.3	177.4	-127.7	-105.9	0	0	0	111.2
521	I	31.5	Very low	27.9	Very low	143 Å²	143	144.7 Å²	144.7	73%	0.733	80%	0.795	S	S	*	*			trans	-72.3	137.5	173.7	-64.6	174.3	0	0	0	109.2	E523	I521-E523 HydrophobicContact CG2-CG 4.14Å
522	K	26.2	Very low	28.2	Very low	177 Å²	177	147.5 Å²	147.5	77%	0.77	79%	0.793	S	S	*	*			trans	-137.1	96.5	165.2	-174.3	-177.3	177.8	-175.7	0	109.4	C524	K522-C524 PolarHBondContact O-N 3.43Å
523	E	24.7	Very low	28.4	Very low	175 Å²	175	149.1 Å²	149.1	82%	0.818	79%	0.788	S	S	*	*			trans	-68.7	119.5	167.9	-67.9	168.8	123.8	0	0	108.9	I521 R525	I521-E523 HydrophobicContact CG2-CG 4.14Å; E523-R525 VanDerWaalsContact C-N 3.33Å; E523-R525 PolarHBondContact O-N 2.69Å; E523-R525 VanDerWaalsContact O-N 3.15Å
524	C	24.6	Very low	28.7	Very low	111 Å²	111	151.8 Å²	151.8	75%	0.75	79%	0.789	S	S	*	*			trans	-85.7	82.3	170.6	-82.7	0	0	0	0	109.7	K522	K522-C524 PolarHBondContact O-N 3.43Å
525	R	24.7	Very low	28.9	Very low	195 Å²	195	149.8 Å²	149.8	74%	0.736	78%	0.78	S	S	*	*			trans	-12.7	127.6	153.3	163.6	-179.9	155.8	173.8	-5.5	114.6	E523 D527	E523-R525 VanDerWaalsContact C-N 3.33Å; E523-R525 PolarHBondContact O-N 2.69Å; E523-R525 VanDerWaalsContact O-N 3.15Å; R525-D527 IonicContact CZ-OD1 3.93Å; R525-D527 IonicContact NE-OD1 2.7Å; R525-D527 PolarHBondContact NE-OD1 3.33Å; R525-D527 IonicContact NE-OD2 3.98Å; R525-D527 IonicContact NH2-OD1 2.67Å; R525-D527 PolarHBondContact NH2-OD1 3.13Å; R525-D527 IonicContact NH2-OD2 3.19Å
526	E	25.1	Very low	29.8	Very low	169 Å²	169	149.8 Å²	149.8	79%	0.79	76%	0.761	S	S	*	*			trans	-71.2	136	162	-68.8	149.6	107.6	0	0	110.8
527	D	25.3	Very low	30	Very low	124 Å²	124	147.5 Å²	147.5	66%	0.663	75%	0.751	S	S	*	*			trans	-108.1	92.2	167.2	-78.7	-45.2	0	0	0	108.6	R525	R525-D527 IonicContact CZ-OD1 3.93Å; R525-D527 IonicContact NE-OD1 2.7Å; R525-D527 PolarHBondContact NE-OD1 3.33Å; R525-D527 IonicContact NE-OD2 3.98Å; R525-D527 IonicContact NH2-OD1 2.67Å; R525-D527 PolarHBondContact NH2-OD1 3.13Å; R525-D527 IonicContact NH2-OD2 3.19Å
528	Y	33.7	Very low	30.6	Very low	210 Å²	210	146.6 Å²	146.6	82%	0.824	74%	0.738	S	S	*	*			trans	-89.5	136.6	-177.8	-141.5	-87.9	0	0	0	111.7
529	Y	33.7	Very low	31	Very low	208 Å²	208	152.4 Å²	152.4	82%	0.816	74%	0.736	S	S	*	*			trans	-72.1	130	177.9	-113.2	-108.4	0	0	0	111.2	G531	Y529-G531 VanDerWaalsContact C-N 3.32Å; Y529-G531 PolarHBondContact O-N 3.27Å
530	P	34.8	Very low	31.4	Very low	123 Å²	123	151.2 Å²	151.2	80%	0.799	73%	0.728	S	S	*	*			trans	-83.6	71.1	-179.9	34.2	-35.8	0	0	0	112
531	G	30.9	Very low	31.7	Very low	56 Å²	56	147.9 Å²	147.9	58%	0.577	72%	0.72	S	S	*	*			trans	-64	141.1	164.7	0	0	0	0	0	111	Y529 L533	Y529-G531 VanDerWaalsContact C-N 3.32Å; Y529-G531 PolarHBondContact O-N 3.27Å; G531-L533 VanDerWaalsContact C-N 3.26Å; G531-L533 PolarHBondContact O-N 3.43Å
532	R	34.4	Very low	31.7	Very low	234 Å²	234	148.4 Å²	148.4	88%	0.883	72%	0.721	S	S	*	*			trans	-76.1	77.3	177.2	-76.8	-170.9	-179.3	-96.1	4.6	110.9	R534	R532-R534 PolarHBondContact O-N 3.04Å
533	L	34.8	Very low	31.9	Very low	127 Å²	127	144.4 Å²	144.4	67%	0.665	72%	0.715	S	S	*	*			trans	-59	132.1	175.5	-159	72.9	0	0	0	110.5	G531	G531-L533 VanDerWaalsContact C-N 3.26Å; G531-L533 PolarHBondContact O-N 3.43Å
534	R	34.1	Very low	32.2	Very low	219 Å²	219	141.1 Å²	141.1	83%	0.826	71%	0.712	S	S	*	*			trans	-120.3	69.7	179.5	-163.5	-178.7	-171.3	-170.5	2	110.5	R532 Q536	R532-R534 PolarHBondContact O-N 3.04Å; R534-Q536 PolarHBondContact O-N 3.26Å
535	S	31.5	Very low	32.3	Very low	85 Å²	85	145.3 Å²	145.3	59%	0.594	72%	0.72	S	S	*	*			trans	-53.6	133.3	173.5	-46	0	0	0	0	110.6
536	Q	43.7	Very low	32.4	Very low	69 Å²	69	141 Å²	141	32%	0.322	72%	0.72	S	S	.	*			trans	-128.3	91.9	177.8	-173	-179	-23.3	0	0	109.5	Q288 R534	Q288-Q536 PolarHBondContact O-NE2 3.13Å; R534-Q536 PolarHBondContact O-N 3.26Å
537	E	31.2	Very low	32.3	Very low	156 Å²	156	143 Å²	143	73%	0.729	73%	0.726	S	S	*	*			trans	-69.1	145.4	178.4	-61.3	-178.4	152	0	0	112	Y539	E537-Y539 HydrophobicContact CB-CD2 4.14Å
538	S	38.3	Very low	32.4	Very low	86 Å²	86	142 Å²	142	60%	0.601	73%	0.729	S	S	*	*			trans	-90.6	118.9	170.1	36	0	0	0	0	109.3
539	Y	35.7	Very low	32.3	Very low	205 Å²	205	140.4 Å²	140.4	80%	0.804	73%	0.729	S	S	*	*			trans	-135.4	154.3	-176.2	-110.1	-79.6	0	0	0	113.4	E537	E537-Y539 HydrophobicContact CB-CD2 4.14Å
540	S	34.7	Very low	32.2	Very low	97 Å²	97	135.7 Å²	135.7	68%	0.678	72%	0.722	S	S	*	*			trans	-124.6	156.4	-174.7	52.5	0	0	0	0	113.2
541	D	31.5	Very low	32.1	Very low	137 Å²	137	141.2 Å²	141.2	73%	0.733	73%	0.727	S	S	*	*			trans	71.7	118.9	168.4	-72.6	-37.4	0	0	0	121.9
542	M	33	Very low	31.9	Very low	153 Å²	153	142.4 Å²	142.4	75%	0.754	74%	0.739	S	S	*	*				51.7	139.9	128.1	-55.3	-57.5	107.4	0	0	121.2
543	S	30.4	Very low	31.6	Very low	93 Å²	93	136.5 Å²	136.5	65%	0.65	73%	0.734	S	S	*	*			cis	-163.2	149.2	-1	-116.3	0	0	0	0	113.1
544	S	30.8	Very low	31.3	Very low	107 Å²	107	138.7 Å²	138.7	75%	0.748	74%	0.744	S	S	*	*			trans	42.1	117.8	151.9	65.5	0	0	0	0	122.2
545	Q	26.5	Very low	31	Very low	198 Å²	198	137.2 Å²	137.2	93%	0.925	75%	0.747	S	S	*	*				-153	150.8	122.6	-116.9	175.8	49.1	0	0	111.1
546	S	25.9	Very low	31.1	Very low	106 Å²	106	139.3 Å²	139.3	74%	0.741	76%	0.756	S	S	*	*			trans	-129.7	135	-165.7	56	0	0	0	0	112.8
547	F	23.6	Very low	30.9	Very low	209 Å²	209	140.9 Å²	140.9	92%	0.917	77%	0.772	S	S	*	*			trans	-143.3	154.7	163	-97.9	-81.5	0	0	0	110.8
548	S	27.9	Very low	30.7	Very low	103 Å²	103	140.6 Å²	140.6	72%	0.72	77%	0.768	S	S	*	*			trans	-149.8	165.4	-176.6	52.6	0	0	0	0	110.7
549	E	31.9	Very low	30.2	Very low	177 Å²	177	146.1 Å²	146.1	83%	0.827	78%	0.777	S	S	*	*			trans	76.6	146.9	-179.9	-52.1	-159.4	142.8	0	0	116.1
550	T	31.1	Very low	29.9	Very low	109 Å²	109	143.4 Å²	143.4	67%	0.669	77%	0.772	S	S	*	*			cis	-153.3	155.9	-17.3	18.3	0	0	0	0	112.4
551	R	32.3	Very low	29.7	Very low	240 Å²	240	147.1 Å²	147.1	91%	0.906	78%	0.778	S	S	*	*			trans	52.1	126	148.9	-73	179.8	171.1	168.2	-1.3	122
552	G	26.1	Very low	29.5	Very low	80 Å²	80	149.3 Å²	149.3	83%	0.825	78%	0.784	S	S	*	*			trans	-154.2	125.7	145.8	0	0	0	0	0	109.7
553	S	29.7	Very low	29.4	Very low	110 Å²	110	150.3 Å²	150.3	77%	0.769	79%	0.787	S	S	*	*			trans	-116.8	151.8	-172.5	-58.6	0	0	0	0	112.4
554	I	28.6	Very low	29.3	Very low	174 Å²	174	154.6 Å²	154.6	89%	0.892	80%	0.797	S	S	*	*			trans	-160.9	155.5	147.2	-102.7	148.6	0	0	0	108.8
555	Q	27.2	Very low	29.2	Very low	187 Å²	187	158.6 Å²	158.6	87%	0.874	80%	0.804	S	S	*	*			trans	-104.7	164	-171.1	-73.5	-179.4	-40.9	0	0	114.1
556	V	33.9	Very low	29.3	Very low	130 Å²	130	157.9 Å²	157.9	79%	0.788	80%	0.801	S	S	*	*			trans	-67.9	163.8	170.3	-137.8	0	0	0	0	111.3
557	P	38.3	Very low	29.4	Very low	101 Å²	101	156.7 Å²	156.7	66%	0.656	81%	0.805	S	S	*	*				-131.7	168.1	108.7	37.8	-30.8	0	0	0	114.9
558	K	28.3	Very low	29.7	Very low	151 Å²	151	150.6 Å²	150.6	66%	0.657	80%	0.801	S	S	*	*			trans	-108	150.8	-167.6	-178.3	-165.3	-177.3	-164.3	0	110.5	E560	K558-E560 HydrophobicContact CD-CG 4.22Å; K558-E560 WeakPolarHBondContact CE-OE1 3.25Å; K558-E560 HydrophobicContact CG-CG 4.48Å; K558-E560 IonicContact NZ-OE1 3.67Å; K558-E560 PolarHBondContact NZ-OE1 3.29Å
559	Y	26.8	Very low	29.7	Very low	202 Å²	202	154.5 Å²	154.5	79%	0.792	81%	0.81	S	S	*	*			trans	-125.4	153.9	164.1	-40.8	-65	0	0	0	108.9
560	E	29.7	Very low	29.5	Very low	147 Å²	147	150.6 Å²	150.6	69%	0.687	80%	0.802	S	S	*	*			trans	-117.9	-174	-169.4	-72	177.1	140.7	0	0	112.6	K558	K558-E560 HydrophobicContact CD-CG 4.22Å; K558-E560 WeakPolarHBondContact CE-OE1 3.25Å; K558-E560 HydrophobicContact CG-CG 4.48Å; K558-E560 IonicContact NZ-OE1 3.67Å; K558-E560 PolarHBondContact NZ-OE1 3.29Å
561	E	30.1	Very low	29.5	Very low	175 Å²	175	150.8 Å²	150.8	82%	0.818	80%	0.803	S	S	*	*			trans	-69	159.9	-161.9	-62.8	150.3	126.5	0	0	114.7
562	E	28.1	Very low	29.3	Very low	184 Å²	184	147.6 Å²	147.6	86%	0.86	80%	0.799	S	S	*	*				-168.2	142.6	114.5	-101.1	165.7	-164.5	0	0	113.6
563	E	30.1	Very low	29.3	Very low	173 Å²	173	148.7 Å²	148.7	81%	0.808	78%	0.782	S	S	*	*			trans	16.2	118	156.3	-57.5	-173.8	162	0	0	120.3
564	E	27.8	Very low	29.3	Very low	184 Å²	184	149 Å²	149	86%	0.86	78%	0.783	S	S	*	*				65.5	107.9	90.9	-69.7	-160.7	172.7	0	0	116.2
565	E	29.8	Very low	29.2	Very low	190 Å²	190	148.4 Å²	148.4	89%	0.888	77%	0.77	S	S	*	*				-168.6	-174.7	116.7	-116.9	-173	173.7	0	0	113.8
566	E	28.6	Very low	29.3	Very low	184 Å²	184	144.3 Å²	144.3	86%	0.86	76%	0.757	S	S	*	*			trans	-56.9	154.7	-177.2	-52.4	-170.1	132.5	0	0	113.2
567	G	28.4	Very low	29.2	Very low	81 Å²	81	149.3 Å²	149.3	84%	0.835	76%	0.762	S	S	*	*			cis	107.9	105.8	25.7	0	0	0	0	0	109.5
568	G	28.7	Very low	29.5	Very low	80 Å²	80	153.2 Å²	153.2	83%	0.825	77%	0.771	S	S	*	*			trans	178.2	107.5	-173.3	0	0	0	0	0	115
569	M	28.4	Very low	30.5	Very low	186 Å²	186	151.8 Å²	151.8	92%	0.916	78%	0.777	S	S	*	*			trans	-50.2	133.3	-174.1	-67.6	163.1	56.4	0	0	116.7
570	S	27.6	Very low	30.7	Very low	94 Å²	94	149.8 Å²	149.8	66%	0.657	78%	0.779	S	S	*	*			trans	-31.4	149.8	157.6	52.6	0	0	0	0	118.6
571	T	30.5	Very low	31	Very low	114 Å²	114	148.1 Å²	148.1	70%	0.699	78%	0.783	S	S	*	*			trans	60.6	107	151.4	52.6	0	0	0	0	117.7
572	Q	29.4	Very low	31	Very low	172 Å²	172	144.8 Å²	144.8	80%	0.804	78%	0.78	S	S	*	*				59.5	105.3	77.9	-66.2	-177.9	-18.3	0	0	114.7
573	Q	25.6	Very low	31.3	Very low	103 Å²	103	142.5 Å²	142.5	48%	0.481	77%	0.772	S	S	.	*			trans	-83	125.9	143.4	-76.1	-171.6	-49.4	0	0	108.1	G598 S599	Q573-G598 PolarHBondContact NE2-O 3.44Å; Q573-S599 PolarHBondContact NE2-OG 2.78Å
574	C	29.6	Very low	31.3	Very low	116 Å²	116	143.5 Å²	143.5	78%	0.784	77%	0.774	S	S	*	*			trans	-67.5	147.3	175	-70.3	0	0	0	0	111.8
575	R	26.5	Very low	31.4	Very low	163 Å²	163	145.4 Å²	145.4	62%	0.615	78%	0.775	S	S	*	*			trans	-104.8	155.1	156.4	-78.3	178.2	170.3	-169.2	-5.6	109.3	T595	R575-T595 VanDerWaalsContact CZ-CB 3.41Å; R575-T595 VanDerWaalsContact CZ-OG1 3.28Å; R575-T595 PolarHBondContact NH1-OG1 3.43Å; R575-T595 PolarHBondContact NH2-OG1 2.87Å
576	T	29.5	Very low	31.6	Very low	100 Å²	100	141 Å²	141	61%	0.613	76%	0.761	S	S	*	*			trans	-89.6	133.2	-163.6	35.4	0	0	0	0	115.3
577	R	30.6	Very low	31.7	Very low	235 Å²	235	139.8 Å²	139.8	89%	0.887	76%	0.756	S	S	*	*			trans	72.4	138.1	145.4	-65.4	-179.8	172.5	-171.9	-2.3	120.3
578	H	45.9	Very low	31.8	Very low	184 Å²	184	142 Å²	142	85%	0.852	75%	0.748	S	S	*	*			trans	-46.8	167.1	146.7	-52	-79.3	0	0	0	112.3
579	P	49.2	Very low	31.8	Very low	121 Å²	121	145.8 Å²	145.8	79%	0.786	75%	0.746	S	S	*	*			cis	-122.1	-156.8	30.2	25.5	1.2	0	0	0	111.6
580	I	30.4	Very low	32.4	Very low	159 Å²	159	143.3 Å²	143.3	82%	0.815	74%	0.742	S	S	*	*			cis	-140.5	160	14.4	-55.5	163.4	0	0	0	109.7
581	S	37.1	Very low	33.4	Very low	112 Å²	112	144.3 Å²	144.3	78%	0.783	75%	0.746	S	S	*	*			trans	-84.8	139.2	171.1	176.9	0	0	0	0	112.2
582	S	29.5	Very low	33.7	Very low	106 Å²	106	145 Å²	145	74%	0.741	75%	0.75	S	S	*	*			trans	-142.1	150.6	166.1	61.6	0	0	0	0	110.9
583	L	33.7	Very low	34.2	Very low	135 Å²	135	146 Å²	146	71%	0.707	76%	0.755	S	S	*	*			cis	-157.7	140.1	-27.4	-117.2	170.6	0	0	0	105.6
584	K	31.5	Very low	34.4	Very low	195 Å²	195	147.3 Å²	147.3	85%	0.848	76%	0.761	S	S	*	*	S	Bend	trans	-92.6	127.3	143.2	-75.8	-175.7	177.8	-179.3	0	105.5
585	Y	29.1	Very low	34.5	Very low	223 Å²	223	144.9 Å²	144.9	88%	0.875	74%	0.743	S	S	*	*	S	Bend	trans	-14.1	137.6	170.1	-62.3	-89.6	0	0	0	116.5
586	T	33.3	Very low	35.7	Very low	97 Å²	97	142.3 Å²	142.3	60%	0.595	75%	0.747	S	S	*	*			cis	-142	155.8	22.3	49.5	0	0	0	0	114.1
587	E	32.3	Very low	35.9	Very low	160 Å²	160	147 Å²	147	75%	0.748	75%	0.753	S	S	*	*			trans	51.2	136.3	152.5	-63.5	155.5	138.2	0	0	120
588	D	30	Very low	35.9	Very low	126 Å²	126	138.3 Å²	138.3	67%	0.674	74%	0.737	S	S	*	*			cis	-163.4	139.3	-4	-122.5	-7.4	0	0	0	112.3
589	M	28.5	Very low	35.4	Very low	161 Å²	161	133.9 Å²	133.9	79%	0.793	73%	0.727	S	S	*	*			trans	60.9	-178.9	167.1	-47	-58	160.6	0	0	118.4
590	T	40.8	Very low	34.5	Very low	133 Å²	133	135.3 Å²	135.3	82%	0.816	73%	0.725	S	S	*	*			cis	-155.7	154	2.5	-34.2	0	0	0	0	111.6
591	P	47.9	Very low	34.4	Very low	115 Å²	115	135.2 Å²	135.2	75%	0.747	72%	0.721	S	S	*	*			trans	-132.4	170.3	-176.8	43	-30.2	0	0	0	119.2
592	T	37.2	Very low	34.3	Very low	128 Å²	128	134.6 Å²	134.6	79%	0.785	72%	0.717	S	S	*	*			trans	171.1	122.5	138.4	-72.4	0	0	0	0	116.7
593	E	39.3	Very low	34.5	Very low	193 Å²	193	137.5 Å²	137.5	90%	0.902	72%	0.723	S	S	*	*			trans	49.7	164	149	-62.9	-172.3	170	0	0	127.6
594	Q	31.6	Very low	34.3	Very low	131 Å²	131	135 Å²	135	61%	0.612	72%	0.721	S	S	*	*			trans	-164.2	162.3	-169.7	-157.4	-164.1	101.7	0	0	116.6
595	T	31.1	Very low	34.4	Very low	66 Å²	66	133.4 Å²	133.4	41%	0.405	72%	0.721	S	S	.	*			trans	85.2	170.3	161.3	80.2	0	0	0	0	117.6	R575	R575-T595 VanDerWaalsContact CZ-CB 3.41Å; R575-T595 VanDerWaalsContact CZ-OG1 3.28Å; R575-T595 PolarHBondContact NH1-OG1 3.43Å; R575-T595 PolarHBondContact NH2-OG1 2.87Å
596	P	51.5	Low	34.5	Very low	108 Å²	108	127.3 Å²	127.3	70%	0.701	71%	0.711	S	S	*	*			cis	-91.6	-159.2	-11.8	-13.7	36.3	0	0	0	115.6
597	R	32.7	Very low	34.3	Very low	199 Å²	199	130 Å²	130	75%	0.751	72%	0.722	S	S	*	*			cis	-161.5	172.2	-20.4	-139.6	-166.2	174.8	-66.1	-14.8	110.4
598	G	31.5	Very low	34.3	Very low	53 Å²	53	126.5 Å²	126.5	55%	0.546	72%	0.721	S	S	.	*			trans	165.4	172.7	165.7	0	0	0	0	0	116.6	Q573	Q573-G598 PolarHBondContact NE2-O 3.44Å
599	S	34.7	Very low	34.5	Very low	90 Å²	90	127.1 Å²	127.1	63%	0.629	73%	0.729	S	S	*	*			trans	-161.3	151.2	175.5	-156.7	0	0	0	0	117	Q573	Q573-S599 PolarHBondContact NE2-OG 2.78Å
600	M	30.2	Very low	34.5	Very low	151 Å²	151	122.9 Å²	122.9	74%	0.744	73%	0.726	S	S	*	*			trans	76.9	138.6	153.1	-86.3	168.5	71.7	0	0	124.3
601	E	29.4	Very low	34	Very low	157 Å²	157	124.2 Å²	124.2	73%	0.734	73%	0.728	S	S	*	*			trans	74.7	116	148.4	-71.3	-177.7	-178.6	0	0	124.3
602	S	34.1	Very low	33.2	Very low	100 Å²	100	124.2 Å²	124.2	70%	0.699	73%	0.73	S	S	*	*				73.4	107.8	126.9	-59	0	0	0	0	122.9
603	L	33.9	Very low	33.1	Very low	167 Å²	167	122.5 Å²	122.5	87%	0.874	73%	0.729	S	S	*	*			trans	49.7	122	130.4	-65.7	175	0	0	0	121.8
604	A	30.6	Very low	32.9	Very low	81 Å²	81	121.2 Å²	121.2	67%	0.669	73%	0.729	S	S	*	*				76.5	108.6	129.6	0	0	0	0	0	121.5
605	L	31.8	Very low	32.8	Very low	162 Å²	162	118.4 Å²	118.4	85%	0.848	74%	0.735	S	S	*	*			trans	78.2	126.3	131.5	-63	172.1	0	0	0	121.1
606	S	33	Very low	32.7	Very low	95 Å²	95	119.3 Å²	119.3	66%	0.664	76%	0.757	S	S	*	*			trans	70.3	123.8	146.4	-52.9	0	0	0	0	117.4
607	N	29	Very low	31.9	Very low	155 Å²	155	118.4 Å²	118.4	83%	0.829	76%	0.759	S	S	*	*				-167.3	172.1	57.7	-93	-61.6	0	0	0	114.4
608	A	31.4	Very low	32	Very low	86 Å²	86	118.7 Å²	118.7	71%	0.711	77%	0.766	S	S	*	*			trans	74.5	102.3	146.1	0	0	0	0	0	122.1
609	T	33.3	Very low	32.1	Very low	139 Å²	139	124.8 Å²	124.8	85%	0.853	77%	0.772	S	S	*	*				63.3	110.4	112.4	-47	0	0	0	0	122.1
610	G	29	Very low	31.8	Very low	71 Å²	71	126.9 Å²	126.9	73%	0.732	77%	0.772	S	S	*	*			trans	90.5	160.7	139.8	0	0	0	0	0	117.9
611	L	31.6	Very low	32.1	Very low	161 Å²	161	125.1 Å²	125.1	84%	0.843	76%	0.762	S	S	*	*			cis	-163.8	158.1	-6.2	-110.4	176.7	0	0	0	109.8
612	S	31.3	Very low	32.1	Very low	115 Å²	115	124.7 Å²	124.7	80%	0.804	76%	0.76	S	S	*	*			trans	64.9	153.6	163.2	-68.9	0	0	0	0	117.9
613	A	35	Very low	31.9	Very low	92 Å²	92	126.1 Å²	126.1	76%	0.76	76%	0.759	S	S	*	*			cis	-146.7	176.3	-12.9	0	0	0	0	0	106.9
614	D	34	Very low	31.8	Very low	167 Å²	167	123.2 Å²	123.2	89%	0.893	75%	0.752	S	S	*	*			cis	-174.5	173.2	46.6	-166.9	7.9	0	0	0	111.2
615	G	30.4	Very low	31.7	Very low	72 Å²	72	129 Å²	129	74%	0.742	76%	0.757	S	S	*	*			trans	91.5	138.6	164.7	0	0	0	0	0	117.1
616	G	27.8	Very low	31.6	Very low	85 Å²	85	129.6 Å²	129.6	88%	0.876	75%	0.753	S	S	*	*			trans	-175.2	176	176.7	0	0	0	0	0	116.8
617	A	35.2	Very low	31.4	Very low	89 Å²	89	129.9 Å²	129.9	74%	0.736	76%	0.755	S	S	*	*			trans	-149.5	122.2	174.2	0	0	0	0	0	109.3
618	K	34.2	Very low	31.5	Very low	205 Å²	205	131 Å²	131	89%	0.891	76%	0.758	S	S	*	*				52.7	121	95.9	-61.4	173.9	-176.5	173.9	0	113.4
619	R	35.3	Very low	32.2	Very low	181 Å²	181	132.7 Å²	132.7	68%	0.683	76%	0.761	S	S	*	*			cis	-157.1	-176.9	-3.8	-136.1	-155.2	148.7	-172.4	-6.1	105.9	E621	R619-E621 IonicContact CZ-OE1 3.65Å; R619-E621 IonicContact CZ-OE2 3.82Å; R619-E621 IonicContact NE-OE1 3.08Å; R619-E621 IonicContact NH2-OE1 3.64Å; R619-E621 PolarHBondContact NH2-OE1 3.08Å; R619-E621 IonicContact NH2-OE2 3.72Å; R619-E621 PolarHBondContact NH2-OE2 2.73Å; R619-E621 VanDerWaalsContact NH2-OE2 3.08Å
620	Q	28.1	Very low	32.1	Very low	133 Å²	133	132.6 Å²	132.6	62%	0.621	76%	0.755	S	S	*	*			cis	-143.9	-109.9	14	-176.4	156.9	-24.6	0	0	113.4
621	E	35.3	Very low	32.3	Very low	115 Å²	115	137.5 Å²	137.5	54%	0.537	76%	0.764	S	S	.	*			trans	-152.7	172.3	-160.1	-61.8	136.6	-179.6	0	0	106.7	R619	R619-E621 IonicContact CZ-OE1 3.65Å; R619-E621 IonicContact CZ-OE2 3.82Å; R619-E621 IonicContact NE-OE1 3.08Å; R619-E621 IonicContact NH2-OE1 3.64Å; R619-E621 PolarHBondContact NH2-OE1 3.08Å; R619-E621 IonicContact NH2-OE2 3.72Å; R619-E621 PolarHBondContact NH2-OE2 2.73Å; R619-E621 VanDerWaalsContact NH2-OE2 3.08Å
622	H	30.3	Very low	32.4	Very low	148 Å²	148	134.2 Å²	134.2	69%	0.685	75%	0.754	S	S	*	*			cis	-171	151.3	33.8	-139	-68.7	0	0	0	110.5
623	L	30.3	Very low	32.4	Very low	130 Å²	130	137.8 Å²	137.8	68%	0.681	76%	0.755	S	S	*	*			trans	67	140.3	167	-48.6	-179.8	0	0	0	116.1
624	S	31.8	Very low	32.3	Very low	105 Å²	105	139.9 Å²	139.9	73%	0.734	75%	0.754	S	S	*	*			cis	72.3	108.7	28.8	-170.9	0	0	0	0	115.8
625	R	28.8	Very low	32.3	Very low	202 Å²	202	138 Å²	138	76%	0.762	75%	0.754	S	S	*	*			trans	178.2	143.4	145	-98.8	-159.5	172.6	75.8	-0.3	112.8
626	F	27.8	Very low	32.4	Very low	175 Å²	175	137.8 Å²	137.8	77%	0.768	75%	0.751	S	S	*	*			trans	37.6	116.1	148.2	-67.4	-101.3	0	0	0	119.6
627	S	29.1	Very low	32.8	Very low	102 Å²	102	141.9 Å²	141.9	71%	0.713	75%	0.75	S	S	*	*				90.3	131.8	82.7	-62.3	0	0	0	0	114.4
628	M	32.5	Very low	32.8	Very low	179 Å²	179	143.5 Å²	143.5	88%	0.882	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-68.1	139.6	172.3	-71.6	-77.1	-70.7	0	0	111.8
629	P	45.2	Very low	32.7	Very low	120 Å²	120	139.7 Å²	139.7	78%	0.779	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-83.9	138.9	159.1	-3.4	22.3	0	0	0	111
630	D	31.2	Very low	32.8	Very low	138 Å²	138	136.3 Å²	136.3	74%	0.738	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-98.8	147.6	171.3	176.4	30.9	0	0	0	110.3
631	L	33.2	Very low	33.2	Very low	174 Å²	174	137.8 Å²	137.8	91%	0.911	75%	0.75	S	S	*	*			trans	-152	127.6	160.9	-85.7	-169.6	0	0	0	111.1
632	S	32.9	Very low	33.4	Very low	91 Å²	91	142.6 Å²	142.6	64%	0.636	77%	0.77	S	S	*	*			trans	-109.6	162.3	-172.8	55.8	0	0	0	0	113.4
633	K	33.1	Very low	33.7	Very low	190 Å²	190	142.9 Å²	142.9	83%	0.826	78%	0.775	S	S	*	*			trans	-171.7	112.7	134	-108.5	166.7	-178.3	177.6	0	115.8
634	D	31.6	Very low	33.9	Very low	137 Å²	137	142.1 Å²	142.1	73%	0.733	78%	0.781	S	S	*	*			trans	31.1	114.8	136.9	-49.4	-36.4	0	0	0	121.2
635	S	34.5	Very low	34	Very low	128 Å²	128	144.2 Å²	144.2	90%	0.895	78%	0.784	S	S	*	*				152.8	135.9	101.8	54.5	0	0	0	0	112.4
636	G	32.4	Very low	34.1	Very low	67 Å²	67	142.4 Å²	142.4	69%	0.691	79%	0.786	S	S	*	*			cis	170.6	157.6	-12.3	0	0	0	0	0	112.7
637	M	35.4	Very low	34.3	Very low	170 Å²	170	137 Å²	137	84%	0.837	78%	0.779	S	S	*	*			trans	71.6	144.8	163.3	-57.9	169.5	74.2	0	0	117.4
638	N	35.9	Very low	34.3	Very low	123 Å²	123	138.3 Å²	138.3	66%	0.658	78%	0.783	S	S	*	*			cis	-166.7	158.8	-7.6	-113.4	4.4	0	0	0	112.9
639	V	33	Very low	34.3	Very low	126 Å²	126	138.2 Å²	138.2	76%	0.764	79%	0.786	S	S	*	*			trans	67.9	132.9	148.4	167.8	0	0	0	0	118
640	S	36.2	Very low	33.5	Very low	109 Å²	109	139.6 Å²	139.6	76%	0.762	79%	0.786	S	S	*	*			cis	-156.3	160.4	-5.7	-115.2	0	0	0	0	112.7
641	E	36.6	Very low	33.4	Very low	164 Å²	164	138.7 Å²	138.7	77%	0.766	79%	0.791	S	S	*	*			trans	-92.8	172.3	179	-51.9	160.9	113	0	0	113.8
642	K	40.7	Very low	33.5	Very low	217 Å²	217	134.6 Å²	134.6	94%	0.943	78%	0.777	S	S	*	*			trans	-150.8	136.2	145.1	-118.4	172.9	-175.7	177.6	0	112
643	L	34.9	Very low	33.5	Very low	153 Å²	153	138 Å²	138	80%	0.801	79%	0.785	S	S	*	*			trans	-131	128.4	-170.8	-82.6	161.5	0	0	0	112.2
644	S	34.2	Very low	33.5	Very low	114 Å²	114	136.4 Å²	136.4	80%	0.797	78%	0.78	S	S	*	*			trans	178.3	126.8	156.7	47.5	0	0	0	0	108.1
645	N	34.3	Very low	33.4	Very low	150 Å²	150	137.1 Å²	137.1	80%	0.802	78%	0.777	S	S	*	*			cis	92.4	137.9	21.8	-156.3	15.8	0	0	0	115.2
646	M	31.9	Very low	33.2	Very low	164 Å²	164	140.5 Å²	140.5	81%	0.808	77%	0.77	S	S	*	*			trans	68.4	147.2	-166.1	-52.7	-55.6	-64.5	0	0	115.8
647	G	30.6	Very low	33.3	Very low	60 Å²	60	141.9 Å²	141.9	62%	0.619	77%	0.769	S	S	*	*			cis	176.7	142.8	-9	0	0	0	0	0	114.3
648	T	30.5	Very low	33.1	Very low	130 Å²	130	138.1 Å²	138.1	80%	0.798	77%	0.765	S	S	*	*			trans	23.6	125.7	159	55.3	0	0	0	0	121.5
649	L	31.6	Very low	32.9	Very low	178 Å²	178	140.3 Å²	140.3	93%	0.932	77%	0.771	S	S	*	*				-173	167.7	102.9	-98.6	174.4	0	0	0	112
650	N	28.6	Very low	32.9	Very low	148 Å²	148	139.7 Å²	139.7	79%	0.791	77%	0.773	S	S	*	*			trans	-144.4	124.9	-178.6	174.6	14.4	0	0	0	111
651	S	30.1	Very low	32.7	Very low	119 Å²	119	140.2 Å²	140.2	83%	0.832	77%	0.771	S	S	*	*			trans	-161.1	123.2	165.6	55.6	0	0	0	0	112.3
652	S	35.1	Very low	32.5	Very low	89 Å²	89	143.6 Å²	143.6	62%	0.622	78%	0.777	S	S	*	*			trans	-84.9	170.5	173.6	49.1	0	0	0	0	111.9
653	M	32.4	Very low	31.9	Very low	162 Å²	162	138.3 Å²	138.3	80%	0.798	77%	0.767	S	S	*	*				-174	167	75	-90.7	-62.7	-171.9	0	0	115
654	Q	33.4	Very low	31.7	Very low	156 Å²	156	138.6 Å²	138.6	73%	0.729	77%	0.769	S	S	*	*			trans	83	157	173.3	-53.9	-175.3	107.3	0	0	115.8
655	F	29.6	Very low	31.4	Very low	152 Å²	152	140.8 Å²	140.8	67%	0.667	77%	0.771	S	S	*	*			cis	-171.6	175.1	-22.6	-97.7	-24.5	0	0	0	108
656	R	30.9	Very low	31.1	Very low	199 Å²	199	138.4 Å²	138.4	75%	0.751	77%	0.766	S	S	*	*			cis	-158.2	175	-3.3	-125.1	163.4	-167.4	-82.8	-3.6	112.3
657	S	32.6	Very low	30.9	Very low	96 Å²	96	134.7 Å²	134.7	67%	0.671	76%	0.761	S	S	*	*			trans	-71.3	166.6	167.9	-40	0	0	0	0	114.2
658	A	32.8	Very low	30.8	Very low	92 Å²	92	140 Å²	140	76%	0.76	77%	0.77	S	S	*	*			cis	-161.3	-113.5	-26.9	0	0	0	0	0	109.5
659	E	31.5	Very low	30.5	Very low	168 Å²	168	140.5 Å²	140.5	79%	0.785	76%	0.763	S	S	*	*			cis	-166.3	143.4	-4.3	-149	161.2	-71.4	0	0	113.6
660	S	31.8	Very low	30.3	Very low	113 Å²	113	141.4 Å²	141.4	79%	0.79	76%	0.756	S	S	*	*			trans	72.1	168.5	156.6	-145.8	0	0	0	0	123.1
661	V	32.8	Very low	30.1	Very low	121 Å²	121	141.6 Å²	141.6	73%	0.733	75%	0.752	S	S	*	*			trans	-151.8	168.4	-160.6	-75.5	0	0	0	0	114.4
662	R	31.3	Very low	29.9	Very low	234 Å²	234	143 Å²	143	88%	0.883	75%	0.745	S	S	*	*			trans	99.5	157.7	168.6	-61.6	170.7	-179.8	163.5	1.5	116.4
663	S	30	Very low	29.4	Very low	106 Å²	106	147.9 Å²	147.9	74%	0.741	76%	0.76	S	S	*	*			cis	167	152.3	-39.4	-91.1	0	0	0	0	110.3
664	L	29.7	Very low	29.3	Very low	159 Å²	159	149.3 Å²	149.3	83%	0.832	77%	0.765	S	S	*	*			trans	82.5	138.7	157.8	-72.8	170.6	0	0	0	121.3
665	L	27.1	Very low	29	Very low	160 Å²	160	145.2 Å²	145.2	84%	0.838	76%	0.764	S	S	*	*			trans	70.5	145.1	160.9	-60.7	162	0	0	0	117.5
666	S	28.8	Very low	28.9	Very low	100 Å²	100	145 Å²	145	70%	0.699	77%	0.77	S	S	*	*			cis	-171.2	148.7	-15.2	51.6	0	0	0	0	113.8
667	A	28.7	Very low	28.8	Very low	86 Å²	86	142 Å²	142	71%	0.711	77%	0.769	S	S	*	*			trans	75.3	148.8	147.3	0	0	0	0	0	121.8
668	Q	27	Very low	28.6	Very low	173 Å²	173	143.7 Å²	143.7	81%	0.808	77%	0.766	S	S	*	*			trans	69.6	156.9	159.2	-67.5	-175.5	-70.9	0	0	119.3
669	Q	25.4	Very low	28.4	Very low	140 Å²	140	147.5 Å²	147.5	65%	0.654	77%	0.768	S	S	*	*			cis	-171.8	131.6	-27.4	172	165.8	-22.6	0	0	111.8
670	Y	25.9	Very low	28.2	Very low	196 Å²	196	146 Å²	146	77%	0.769	76%	0.764	S	S	*	*			trans	60.4	126.5	159	-92.7	-64	0	0	0	123.7
671	Q	24.9	Very low	27.8	Very low	153 Å²	153	146.6 Å²	146.6	72%	0.715	77%	0.768	S	S	*	*				96.5	155.8	124.6	-145.4	142.2	14.4	0	0	122.9
672	E	26.1	Very low	27.6	Very low	148 Å²	148	148.3 Å²	148.3	69%	0.692	77%	0.773	S	S	*	*			trans	-82.6	150.5	-169.6	-47.3	129.6	119.8	0	0	113.4
673	M	24.1	Very low	28.7	Very low	191 Å²	191	141.7 Å²	141.7	94%	0.941	76%	0.761	S	S	*	*				-175.9	152.6	111.7	-99.8	-172.6	-170.3	0	0	111.9
674	E	30.8	Very low	28.7	Very low	193 Å²	193	144.6 Å²	144.6	90%	0.902	77%	0.767	S	S	*	*			trans	-80.5	159.7	168.8	-64	177.2	121.1	0	0	111.8
675	G	27.5	Very low	28.6	Very low	69 Å²	69	140.4 Å²	140.4	71%	0.711	76%	0.762	S	S	*	*			trans	-108.4	119.7	-179.5	0	0	0	0	0	114.4
676	N	28.3	Very low	28.7	Very low	147 Å²	147	143.9 Å²	143.9	79%	0.786	77%	0.765	S	S	*	*				18	140.9	114	-67.8	-32	0	0	0	117.1
677	L	28	Very low	28.9	Very low	138 Å²	138	149.1 Å²	149.1	72%	0.723	77%	0.77	S	S	*	*			cis	-164.6	-174.6	15.2	-144.4	67.3	0	0	0	107
678	H	29	Very low	28.9	Very low	131 Å²	131	150.9 Å²	150.9	61%	0.606	77%	0.767	S	S	*	*			cis	-163.9	-160.8	9.4	-164.2	30.7	0	0	0	111.3	L680	H678-L680 WeakPolarHBondContact NE2-CD1 3.07Å
679	Q	27	Very low	29.4	Very low	172 Å²	172	150.5 Å²	150.5	80%	0.804	77%	0.77	S	S	*	*			trans	74.9	94.5	166.2	-59.4	-173.3	-0.6	0	0	116.6
680	L	27.4	Very low	29.7	Very low	135 Å²	135	152.5 Å²	152.5	71%	0.707	78%	0.779	S	S	*	*				84.4	90	59	-69.8	172.5	0	0	0	114.9	H678	H678-L680 WeakPolarHBondContact NE2-CD1 3.07Å
681	S	24.6	Very low	30.2	Very low	126 Å²	126	147.2 Å²	147.2	88%	0.881	77%	0.771	S	S	*	*				179.4	162.6	119.9	42.2	0	0	0	0	112.3
682	N	28.3	Very low	30.7	Very low	157 Å²	157	149.1 Å²	149.1	84%	0.84	78%	0.78	S	S	*	*			trans	-158	172	-177.7	-133.1	-0.7	0	0	0	105.7
683	P	54.3	Low	31.1	Very low	96 Å²	96	145.5 Å²	145.5	62%	0.623	78%	0.782	S	S	*	*			cis	-143.5	-154.7	17.3	32.6	-5.3	0	0	0	114.9
684	I	30.1	Very low	31.9	Very low	167 Å²	167	148.1 Å²	148.1	86%	0.856	78%	0.781	S	S	*	*			trans	85.4	134.2	163.4	-53.3	162.2	0	0	0	114.6
685	G	26.6	Very low	32	Very low	71 Å²	71	146.4 Å²	146.4	73%	0.732	78%	0.775	S	S	*	*			cis	-168.4	-167	4	0	0	0	0	0	114.4
686	Y	29.2	Very low	32.3	Very low	233 Å²	233	150.3 Å²	150.3	91%	0.914	77%	0.774	S	S	*	*			trans	-128.2	136.3	-166.4	-130.9	-86.4	0	0	0	111.3
687	R	33.7	Very low	32.6	Very low	209 Å²	209	150.5 Å²	150.5	79%	0.789	77%	0.771	S	S	*	*			trans	151.3	138.9	134	-90.9	-174.3	175	-103.4	5.5	117.7
688	D	29.4	Very low	33.3	Very low	123 Å²	123	148 Å²	148	66%	0.658	77%	0.765	S	S	*	*			trans	65.8	-179.8	134.2	-55.5	-16.2	0	0	0	123.6
689	L	36.6	Very low	33.5	Very low	165 Å²	165	150.2 Å²	150.2	86%	0.864	77%	0.773	S	S	*	*			trans	-135	-179.7	-148.7	-124	81	0	0	0	112.6
690	Q	32.5	Very low	34.4	Very low	182 Å²	182	148.3 Å²	148.3	85%	0.85	77%	0.768	S	S	*	*			trans	94.9	152.5	167.3	-56.9	-178.5	1.4	0	0	117.2
691	S	36.6	Very low	34.9	Very low	86 Å²	86	150.9 Å²	150.9	60%	0.601	77%	0.774	S	S	*	*			cis	-172.5	173.9	-28	60.6	0	0	0	0	112.9
692	H	34.9	Very low	35.6	Very low	193 Å²	193	152.3 Å²	152.3	89%	0.894	77%	0.772	S	S	*	*			trans	88.1	138.1	168.8	-65.9	-75.7	0	0	0	121
693	G	33.8	Very low	36	Very low	71 Å²	71	148 Å²	148	73%	0.732	76%	0.764	S	S	*	*			trans	-156.8	-90.5	-166	0	0	0	0	0	122.1
694	R	40.6	Very low	35.1	Very low	246 Å²	246	146.7 Å²	146.7	93%	0.928	77%	0.769	S	S	*	*			trans	75.3	166.6	-166.9	-55.7	-179.2	165.3	-160.8	-3.1	114.8
695	M	34.2	Very low	35.5	Very low	158 Å²	158	147.9 Å²	147.9	78%	0.778	77%	0.773	S	S	*	*			cis	-158.7	176	-9	-127.1	-65.6	-179.5	0	0	110.9
696	H	34.2	Very low	36.2	Very low	150 Å²	150	149.1 Å²	149.1	69%	0.694	78%	0.776	S	S	*	*			trans	66.9	137.2	171.9	-95.4	-118.3	0	0	0	116.3
697	Q	34.6	Very low	36.4	Very low	152 Å²	152	141.4 Å²	141.4	71%	0.71	77%	0.767	S	S	*	*			cis	-161.2	109.2	-2.4	-170.5	170	-0.4	0	0	113.4
698	S	41	Very low	36.5	Very low	85 Å²	85	137 Å²	137	59%	0.594	77%	0.768	S	S	*	*			trans	45.1	153.2	147.9	68.2	0	0	0	0	122.9
699	F	34.8	Very low	36.6	Very low	177 Å²	177	140.8 Å²	140.8	78%	0.776	78%	0.779	S	S	*	*			cis	-146.1	132.6	15.2	-87.9	-82.5	0	0	0	108.7
700	D	44.4	Very low	36.7	Very low	133 Å²	133	141.2 Å²	141.2	71%	0.711	78%	0.781	S	S	*	*				76.1	142.6	89.2	-71.6	-39.1	0	0	0	116.9
701	F	37.8	Very low	37.5	Very low	188 Å²	188	139 Å²	139	83%	0.825	78%	0.783	S	S	*	*			cis	-154.5	128.8	24.5	-163.1	-109.9	0	0	0	116.1
702	D	39.8	Very low	37.2	Very low	157 Å²	157	138 Å²	138	84%	0.84	79%	0.786	S	S	*	*			trans	54.2	177.1	168.4	-144.4	31.4	0	0	0	119.5
703	G	36.2	Very low	37.2	Very low	66 Å²	66	137.1 Å²	137.1	68%	0.68	78%	0.782	S	S	*	*			cis	176.7	172.7	-3.1	0	0	0	0	0	111.2
704	G	35.9	Very low	37	Very low	69 Å²	69	142 Å²	142	71%	0.711	79%	0.786	S	S	*	*			cis	171.8	139.6	-11.7	0	0	0	0	0	115.3
705	M	39.6	Very low	36.6	Very low	192 Å²	192	133.1 Å²	133.1	95%	0.946	77%	0.771	S	S	*	*			trans	69.6	144.9	160.1	-52.5	-55	171.3	0	0	123.6
706	A	40.3	Very low	36.4	Very low	96 Å²	96	133.2 Å²	133.2	79%	0.793	78%	0.78	S	S	*	*			cis	-171.4	146.3	-21.4	0	0	0	0	0	116.3
707	G	34	Very low	36.2	Very low	71 Å²	71	136.8 Å²	136.8	73%	0.732	79%	0.787	S	S	*	*			trans	104.7	170.9	152.8	0	0	0	0	0	120.2
708	S	34.8	Very low	36	Very low	116 Å²	116	137.8 Å²	137.8	81%	0.811	80%	0.796	S	S	*	*			cis	-173.2	107.2	-23.4	-94.7	0	0	0	0	117
709	K	32.6	Very low	35.4	Very low	204 Å²	204	142.1 Å²	142.1	89%	0.887	81%	0.807	S	S	*	*			trans	62.3	141.2	145.5	-61	-173.7	177.5	-178.8	0	125.3
710	L	37.6	Very low	36.3	Very low	174 Å²	174	138.6 Å²	138.6	91%	0.911	80%	0.802	S	S	*	*			trans	-154.3	145.2	174.4	-67.9	176.1	0	0	0	113.6
711	P	49.3	Very low	35.5	Very low	136 Å²	136	141 Å²	141	88%	0.883	81%	0.811	S	S	*	*			trans	-146.5	163	170.1	40.6	-23.4	0	0	0	119.2
712	G	30.2	Very low	35.1	Very low	65 Å²	65	136.8 Å²	136.8	67%	0.67	81%	0.805	S	S	*	*			trans	93.6	108.4	156.4	0	0	0	0	0	118.5
713	Q	36.2	Very low	34.7	Very low	173 Å²	173	136.1 Å²	136.1	81%	0.808	80%	0.797	S	S	*	*				80.8	127.9	52.8	-71.4	-176.8	-94.4	0	0	114.8
714	E	29.1	Very low	34.4	Very low	173 Å²	173	142.9 Å²	142.9	81%	0.808	80%	0.801	S	S	*	*			cis	-144.8	-155.1	-10.3	-48.8	-160.1	167.5	0	0	109.6
715	G	31.2	Very low	34.1	Very low	60 Å²	60	145.6 Å²	145.6	62%	0.619	81%	0.805	S	S	*	*			cis	169.7	-176.4	4.1	0	0	0	0	0	114.4
716	V	31.7	Very low	33.8	Very low	160 Å²	160	148.6 Å²	148.6	97%	0.97	81%	0.805	S	S	*	*			trans	69	144.4	172.1	-175	0	0	0	0	118.7
717	R	28.6	Very low	33.3	Very low	225 Å²	225	154 Å²	154	85%	0.849	81%	0.805	S	S	*	*			trans	-146.3	136.7	-173.6	169.9	-168.7	-176.6	-171.7	3.8	110.3
718	I	31.2	Very low	33	Very low	174 Å²	174	161.8 Å²	161.8	89%	0.892	81%	0.812	S	S	*	*			trans	-170.2	166.7	151.1	-101.9	153	0	0	0	109.5
719	Q	28.6	Very low	32.8	Very low	175 Å²	175	160.3 Å²	160.3	82%	0.818	81%	0.808	S	S	*	*			trans	-120.2	-161.4	-150.9	-131.8	-163.2	39.6	0	0	113.9
720	P	53.3	Low	32.7	Very low	104 Å²	104	158 Å²	158	68%	0.675	81%	0.811	S	S	*	*			trans	-100.8	-175.2	-140.6	44.9	-35.5	0	0	0	114
721	M	27.8	Very low	32.2	Very low	184 Å²	184	154.8 Å²	154.8	91%	0.906	80%	0.803	S	S	*	*			trans	-166.5	156.9	143.9	-97.5	-101.5	-74.4	0	0	112.3
722	S	29.9	Very low	31.2	Very low	98 Å²	98	158.3 Å²	158.3	69%	0.685	80%	0.799	S	S	*	*			trans	-87	-175.1	167.8	54.4	0	0	0	0	110.2
723	E	29.7	Very low	31.2	Very low	144 Å²	144	160.6 Å²	160.6	67%	0.673	80%	0.795	S	S	*	*			cis	-162.9	-177.3	19.6	-155.2	-171	-132.4	0	0	110.6
724	R	29.9	Very low	30.9	Very low	207 Å²	207	158.7 Å²	158.7	78%	0.781	79%	0.791	S	S	*	*			trans	75.6	88.9	155.9	-67	176.4	-174.7	-168.5	-3.9	121.8
725	T	31.5	Very low	30.9	Very low	127 Å²	127	155.1 Å²	155.1	78%	0.779	78%	0.777	S	S	*	*				28.7	117.1	105.8	-44.5	0	0	0	0	120.1
726	R	31.6	Very low	31	Very low	254 Å²	254	162.4 Å²	162.4	96%	0.958	79%	0.786	S	S	*	*			trans	-147.9	175.9	140.4	-114.6	175.7	-170.4	-157.9	2.3	112.2
727	R	30.2	Very low	31	Very low	209 Å²	209	165.2 Å²	165.2	79%	0.789	78%	0.779	S	S	*	*			trans	-122.5	145.9	-156.7	-61.5	174.1	174.6	169.8	-3	114
728	R	28.8	Very low	31.1	Very low	235 Å²	235	164.4 Å²	164.4	89%	0.887	78%	0.782	S	S	*	*			trans	64.2	165.2	154	-70.9	177.2	-175.2	173.6	0.5	117.6
729	A	29.7	Very low	31.1	Very low	86 Å²	86	167.4 Å²	167.4	71%	0.711	78%	0.782	S	S	*	*			cis	177.3	135.9	-38.9	0	0	0	0	0	108.8
730	T	29.9	Very low	31.7	Very low	155 Å²	155	164.8 Å²	164.8	95%	0.951	78%	0.781	S	S	*	*			trans	-145.6	157.8	162.9	28	0	0	0	0	110.2
731	S	27.7	Very low	30.9	Very low	107 Å²	107	169 Å²	169	75%	0.748	79%	0.791	S	S	*	*			trans	-123.1	160.8	-171.9	179.5	0	0	0	0	110.2
732	R	28.5	Very low	31	Very low	210 Å²	210	171.8 Å²	171.8	79%	0.792	79%	0.791	S	S	*	*				-173.4	139.7	126.7	-98.4	-176.1	86.9	168.9	7.5	113.2
733	D	30.3	Very low	31.2	Very low	113 Å²	113	172 Å²	172	60%	0.604	79%	0.793	S	S	*	*			trans	43.8	146.2	138.3	-51.9	-5	0	0	0	122.6
734	D	30.2	Very low	31.1	Very low	132 Å²	132	177.1 Å²	177.1	71%	0.706	81%	0.806	S	S	*	*			cis	-168.6	170.8	-23.5	-170.1	19.6	0	0	0	110.2
735	N	29.4	Very low	31.4	Very low	98 Å²	98	178.9 Å²	178.9	52%	0.524	81%	0.813	S	S	.	*			trans	87.5	107.7	156.7	-72.1	-65.9	0	0	0	123.2
736	R	32.2	Very low	31.3	Very low	214 Å²	214	178 Å²	178	81%	0.808	81%	0.812	S	S	*	*				79.7	94.1	125.9	-65	175	-162.9	-143.8	0.9	122.4
737	R	32.6	Very low	31.3	Very low	219 Å²	219	177.6 Å²	177.6	83%	0.826	81%	0.81	S	S	*	*				42	122.9	121.3	-59.4	179.1	-177.3	-174	2.1	120.1
738	F	29.5	Very low	31.8	Very low	208 Å²	208	178.6 Å²	178.6	91%	0.912	81%	0.814	S	S	*	*				-171.3	174	101.5	-103.2	-73.4	0	0	0	111.9
739	R	32.7	Very low	31.7	Very low	236 Å²	236	173.1 Å²	173.1	89%	0.891	81%	0.812	S	S	*	*			trans	-98.3	177	179.2	-74.1	-173.9	175.4	-167.8	0.5	110.6
740	P	40.1	Very low	32	Very low	121 Å²	121	179.3 Å²	179.3	79%	0.786	82%	0.817	S	S	*	*			cis	-136.4	-177.4	6.6	43.2	-25.6	0	0	0	116.7
741	H	36.8	Very low	32.3	Very low	192 Å²	192	176.9 Å²	176.9	89%	0.889	81%	0.806	S	S	*	*			trans	-91.6	142.8	163.8	-81.9	-87	0	0	0	112.5
742	R	30.6	Very low	32.8	Very low	243 Å²	243	177.1 Å²	177.1	92%	0.917	80%	0.799	S	S	*	*			trans	-158.9	133.7	150.9	-133.7	179.2	-173.7	-171.6	2.3	113.8
743	S	33.7	Very low	33.3	Very low	103 Å²	103	174.1 Å²	174.1	72%	0.72	80%	0.799	S	S	*	*			trans	41.1	126.7	149.4	-166.1	0	0	0	0	122
744	R	27.5	Very low	33.4	Very low	250 Å²	250	172.7 Å²	172.7	94%	0.943	80%	0.803	S	S	*	*			trans	-136.4	141.4	141.3	-84.3	-165.9	170.4	-168.6	-2.9	111.2
745	R	35.9	Very low	33.8	Very low	244 Å²	244	173.9 Å²	173.9	92%	0.921	81%	0.808	S	S	*	*			trans	-98.2	148.1	168.1	-71.2	173.2	164.8	178.3	-6.4	110
746	S	29.5	Very low	33.9	Very low	109 Å²	109	178 Å²	178	76%	0.762	82%	0.824	S	S	*	*			trans	-164.9	105.5	148.4	-148.4	0	0	0	0	107.9
747	R	32.2	Very low	34.1	Very low	245 Å²	245	176 Å²	176	93%	0.925	83%	0.828	S	S	*	*				80.4	143.5	96.5	-84.3	-170.1	166.3	-175.9	-3.5	114.9
748	R	39.5	Very low	34	Very low	231 Å²	231	169.7 Å²	169.7	87%	0.872	82%	0.823	S	S	*	*			trans	-93.8	163.6	-173.4	-60.4	173.3	172.1	173.9	-5.2	112.1
749	S	26.9	Very low	34	Very low	120 Å²	120	165.3 Å²	165.3	84%	0.839	82%	0.818	S	S	*	*			trans	-125.4	169.9	141.1	59.8	0	0	0	0	109.5
750	R	36.8	Very low	33.8	Very low	215 Å²	215	163.6 Å²	163.6	81%	0.811	82%	0.82	S	S	*	*			trans	-152.8	149.3	-175.4	-133.3	-169.5	-171.4	-165.5	2.5	110.1
751	S	34.8	Very low	33.4	Very low	104 Å²	104	169 Å²	169	73%	0.727	83%	0.825	S	S	*	*			trans	-167.8	101.6	160.4	50.7	0	0	0	0	106.1
752	D	40.1	Very low	33.1	Very low	113 Å²	113	169 Å²	169	60%	0.604	83%	0.825	S	S	*	*				70.6	100.6	80.9	-66.6	-34.9	0	0	0	111.4
753	N	38.1	Very low	33	Very low	147 Å²	147	162.2 Å²	162.2	79%	0.786	82%	0.821	S	S	*	*				108.2	153.3	85.1	-73.7	-28.6	0	0	0	109
754	A	32.2	Very low	32.7	Very low	83 Å²	83	165.3 Å²	165.3	69%	0.686	83%	0.827	S	S	*	*			cis	-142.2	139.1	5.8	0	0	0	0	0	109.5
755	L	37.9	Very low	32.7	Very low	156 Å²	156	158.5 Å²	158.5	82%	0.817	82%	0.818	S	S	*	*				47.4	123.8	100.7	-68.4	171.9	0	0	0	118.2
756	H	32	Very low	32.3	Very low	185 Å²	185	156.6 Å²	156.6	86%	0.856	81%	0.811	S	S	*	*				-157.2	130.1	124	-118	-80.7	0	0	0	111.5
757	L	36.1	Very low	32.2	Very low	173 Å²	173	158.5 Å²	158.5	91%	0.906	81%	0.812	S	S	*	*			trans	-148.6	123.2	168.2	-89.8	176.4	0	0	0	108.3
758	A	30.3	Very low	32	Very low	85 Å²	85	156.6 Å²	156.6	70%	0.702	81%	0.81	S	S	*	*			trans	-161.1	123.3	163.3	0	0	0	0	0	110.7
759	S	31	Very low	31.3	Very low	116 Å²	116	151.6 Å²	151.6	81%	0.811	80%	0.801	S	S	*	*			trans	31	110.9	152.9	59.4	0	0	0	0	120.1
760	E	27.2	Very low	31.2	Very low	200 Å²	200	157.3 Å²	157.3	94%	0.935	80%	0.804	S	S	*	*			trans	-129.1	141.5	131.2	-119.8	168.9	-158.4	0	0	109.3
761	R	32.6	Very low	31.3	Very low	236 Å²	236	152.2 Å²	152.2	89%	0.891	80%	0.799	S	S	*	*			trans	-119.5	158.9	168.9	-89.7	-177.7	170	173.3	-3.2	106.5
762	E	31.1	Very low	31.4	Very low	192 Å²	192	153 Å²	153	90%	0.897	80%	0.802	S	S	*	*			trans	85	144.3	178	-49.3	-171	160.3	0	0	115.2
763	A	27.1	Very low	30.9	Very low	100 Å²	100	155.6 Å²	155.6	83%	0.826	82%	0.815	S	S	*	*			trans	53.7	122.2	-162.8	0	0	0	0	0	114.7
764	I	28.5	Very low	30.4	Very low	167 Å²	167	159.9 Å²	159.9	86%	0.856	82%	0.82	S	S	*	*			cis	-125	141.9	22.7	-65	165.3	0	0	0	110.8
765	S	27.6	Very low	30.2	Very low	108 Å²	108	160.4 Å²	160.4	76%	0.755	82%	0.824	S	S	*	*			trans	-144.2	173.7	163.4	-175.4	0	0	0	0	108.5
766	R	27.8	Very low	29.7	Very low	203 Å²	203	162.2 Å²	162.2	77%	0.766	82%	0.82	S	S	*	*			trans	70.9	138.4	-156.1	-41.9	-65.3	175.4	165.3	-2.5	111
767	L	26.4	Very low	29.6	Very low	149 Å²	149	159.9 Å²	159.9	78%	0.78	81%	0.81	S	S	*	*			cis	-125.5	138.6	9.1	-71.8	162.1	0	0	0	111.8
768	K	27.7	Very low	29.3	Very low	205 Å²	205	157.1 Å²	157.1	89%	0.891	80%	0.796	S	S	*	*			trans	-160.5	80	162	-168.8	176.8	-175.5	176.5	0	109.6
769	D	25.5	Very low	29.2	Very low	127 Å²	127	162.8 Å²	162.8	68%	0.679	80%	0.801	S	S	*	*			trans	-101.4	146.7	-175.7	-69.1	-60.8	0	0	0	113.1
770	R	25	Very low	29.2	Very low	240 Å²	240	162.9 Å²	162.9	91%	0.906	79%	0.792	S	S	*	*			trans	-134.8	163.1	165.9	-122.5	-146.9	158.2	179.6	-5.2	107.9
771	P	37.9	Very low	29.3	Very low	107 Å²	107	161.4 Å²	161.4	70%	0.695	79%	0.785	S	S	*	*			trans	-92.8	162.1	-141	36.2	-40.8	0	0	0	115.3
772	P	37	Very low	29	Very low	122 Å²	122	158.8 Å²	158.8	79%	0.792	78%	0.781	S	S	*	*			trans	-99.1	152.5	156	36.6	-29.5	0	0	0	112.4
773	L	28.9	Very low	28.8	Very low	167 Å²	167	156.4 Å²	156.4	87%	0.874	77%	0.771	S	S	*	*			trans	-128.5	134.8	162.9	-89.9	176.2	0	0	0	109.9
774	R	29.5	Very low	28.9	Very low	236 Å²	236	162.8 Å²	162.8	89%	0.891	77%	0.774	S	S	*	*			trans	116.9	132.1	150.7	-66.8	-166.9	172.6	-145.2	-2.3	117.2
775	A	27.6	Very low	28.9	Very low	95 Å²	95	162.8 Å²	162.8	79%	0.785	77%	0.77	S	S	*	*			trans	65.1	142.8	137.4	0	0	0	0	0	119.1
776	R	27.4	Very low	28.9	Very low	194 Å²	194	169 Å²	169	73%	0.732	78%	0.777	S	S	*	*			cis	-163.7	-178.4	-17.8	-155.1	171.1	82.8	131.3	4.4	106.5
777	E	29.5	Very low	28.8	Very low	136 Å²	136	164 Å²	164	64%	0.636	77%	0.773	S	S	*	*			trans	77.6	132.2	156	-75.6	156.2	-151.7	0	0	117
778	D	29.6	Very low	28.7	Very low	115 Å²	115	165.4 Å²	165.4	62%	0.615	77%	0.774	S	S	*	*			cis	-163.6	164.6	-9.4	-137.7	19.6	0	0	0	114.2
779	Y	27.4	Very low	28.7	Very low	204 Å²	204	162.4 Å²	162.4	80%	0.8	76%	0.763	S	S	*	*			trans	61.1	130.7	178.9	-67.2	-96.7	0	0	0	116.6
780	D	32.4	Very low	28.6	Very low	118 Å²	118	164 Å²	164	63%	0.631	77%	0.766	S	S	*	*			cis	-157.2	-172.4	-4.1	-153.5	22.6	0	0	0	106.7
781	Q	29.2	Very low	28.8	Very low	169 Å²	169	157.6 Å²	157.6	79%	0.79	76%	0.758	S	S	*	*			cis	-149.4	167.1	8.8	-170.9	160.4	102.2	0	0	111.2
782	F	26.5	Very low	28.2	Very low	181 Å²	181	161.2 Å²	161.2	79%	0.794	77%	0.768	S	S	*	*			trans	-87.1	140.7	-168.4	-103.3	-119.5	0	0	0	116.9
783	M	25.9	Very low	27.7	Very low	142 Å²	142	158.5 Å²	158.5	70%	0.7	76%	0.762	S	S	*	*			trans	49.5	128.7	138.1	-75	-77.2	-128.5	0	0	121.3
784	R	29.1	Very low	27.7	Very low	234 Å²	234	160.4 Å²	160.4	88%	0.883	77%	0.766	S	S	*	*				-161.1	134.7	107.1	-108.4	175.6	-150.6	-76.7	-0.3	113.8
785	Q	28.9	Very low	27.6	Very low	166 Å²	166	152.7 Å²	152.7	78%	0.776	76%	0.76	S	S	*	*			trans	-72.5	143.9	150.3	-61.4	168.1	-38	0	0	109.1
786	R	26.9	Very low	27.7	Very low	238 Å²	238	153.3 Å²	153.3	90%	0.898	76%	0.759	S	S	*	*				-167.3	153.2	128.2	-110.3	175.4	-168.5	-156.8	1.1	112.7
787	S	26.7	Very low	27.7	Very low	99 Å²	99	154.7 Å²	154.7	69%	0.692	76%	0.764	S	S	*	*			trans	-106.4	-172.8	172.9	47.8	0	0	0	0	110.5
788	F	24.7	Very low	27.8	Very low	179 Å²	179	157.5 Å²	157.5	79%	0.785	77%	0.769	S	S	*	*			trans	93.3	118.1	161.7	-93.9	-87.2	0	0	0	121
789	Q	26.5	Very low	27.8	Very low	142 Å²	142	158.2 Å²	158.2	66%	0.664	77%	0.772	S	S	*	*				99	115.7	128	-128.4	157	0.1	0	0	122.8
790	E	24.7	Very low	27.9	Very low	159 Å²	159	155.6 Å²	155.6	74%	0.743	77%	0.771	S	S	*	*			trans	11.1	139.4	130.8	-41.4	165.8	115.5	0	0	116.8
791	S	27.5	Very low	27.8	Very low	107 Å²	107	160.1 Å²	160.1	75%	0.748	78%	0.781	S	S	*	*				-178.5	-165.3	62.8	-164.4	0	0	0	0	112.4
792	M	26.8	Very low	27.8	Very low	183 Å²	183	155.1 Å²	155.1	90%	0.901	78%	0.775	S	S	*	*			trans	-44.4	152.3	-178.5	-51.5	172.6	-166	0	0	115.5
793	G	26.6	Very low	28	Very low	65 Å²	65	155.5 Å²	155.5	67%	0.67	78%	0.779	S	S	*	*			cis	133.9	139	-2.4	0	0	0	0	0	113.4
794	H	28.4	Very low	28.3	Very low	206 Å²	206	154.4 Å²	154.4	95%	0.954	78%	0.784	S	S	*	*			trans	-170.2	146.9	158.5	-104.9	-73.1	0	0	0	107.7
795	G	27.2	Very low	29.2	Very low	74 Å²	74	148.6 Å²	148.6	76%	0.763	78%	0.777	S	S	*	*			trans	-148.5	171.1	-177.8	0	0	0	0	0	113.8
796	S	29.1	Very low	29.2	Very low	108 Å²	108	151.6 Å²	151.6	76%	0.755	78%	0.781	S	S	*	*			trans	-161.5	127.5	163.1	-169	0	0	0	0	111.2
797	R	28.5	Very low	29.4	Very low	223 Å²	223	146.2 Å²	146.2	84%	0.842	78%	0.775	S	S	*	*			trans	66.5	150.3	171.6	-69	179.4	173.2	-159.9	-5.5	115.6
798	R	31.2	Very low	29.4	Very low	195 Å²	195	147.7 Å²	147.7	74%	0.736	78%	0.779	S	S	*	*			cis	-149.7	139.6	10.4	-140.3	-166.4	173.3	151.8	-0.8	112
799	D	29.3	Very low	29.7	Very low	130 Å²	130	143.7 Å²	143.7	70%	0.695	77%	0.774	S	S	*	*			trans	59.6	155.7	157.1	-48.6	-26.8	0	0	0	119.2
800	L	28.9	Very low	29.9	Very low	149 Å²	149	143.9 Å²	143.9	78%	0.78	78%	0.779	S	S	*	*			trans	-135.9	147.6	-151.4	-67.4	112.5	0	0	0	115.8
801	Y	31.1	Very low	30.2	Very low	213 Å²	213	143.8 Å²	143.8	84%	0.835	78%	0.783	S	S	*	*			trans	37.9	153.1	138.4	-69.3	-113.6	0	0	0	121.7
802	G	30.2	Very low	30.4	Very low	64 Å²	64	142.6 Å²	142.6	66%	0.66	78%	0.779	S	S	*	*			cis	144	144.2	-6	0	0	0	0	0	114.8
803	Q	29.6	Very low	30.7	Very low	189 Å²	189	141.4 Å²	141.4	88%	0.883	78%	0.776	S	S	*	*			trans	73.5	155.1	162.7	-60.3	-175.8	-12.8	0	0	121
804	C	32.9	Very low	31	Very low	120 Å²	120	146.8 Å²	146.8	81%	0.811	78%	0.784	S	S	*	*			trans	-72.5	178.3	173.2	-52.1	0	0	0	0	111.7
805	P	47.3	Very low	31.3	Very low	111 Å²	111	143.5 Å²	143.5	72%	0.721	77%	0.773	S	S	*	*			cis	-153.6	179.8	22.6	45.7	-24.4	0	0	0	120.2
806	R	29.7	Very low	31.4	Very low	229 Å²	229	144.9 Å²	144.9	86%	0.864	78%	0.778	S	S	*	*			trans	56.2	148.2	149.4	-75.5	-177.8	177.1	179.7	-0	123
807	T	29.7	Very low	31.4	Very low	126 Å²	126	149.3 Å²	149.3	77%	0.773	78%	0.783	S	S	*	*			trans	104.6	124	148.6	70.9	0	0	0	0	122.1
808	V	27.1	Very low	31.4	Very low	129 Å²	129	142.1 Å²	142.1	78%	0.782	78%	0.779	S	S	*	*			trans	54.7	134	141.4	-53.6	0	0	0	0	126.7
809	S	30.6	Very low	31.5	Very low	95 Å²	95	138.7 Å²	138.7	66%	0.664	78%	0.775	S	S	*	*			trans	75.8	120.2	134.1	57.1	0	0	0	0	125.3
810	D	31.9	Very low	31.6	Very low	147 Å²	147	141.5 Å²	141.5	79%	0.786	78%	0.776	S	S	*	*				95.6	118.8	123.4	-69.3	5.1	0	0	0	126.5
811	L	31.5	Very low	31.6	Very low	157 Å²	157	145.2 Å²	145.2	82%	0.822	78%	0.78	S	S	*	*			trans	85.7	137.6	131.6	-101.1	70	0	0	0	126.2
812	A	31.2	Very low	31.4	Very low	81 Å²	81	138.4 Å²	138.4	67%	0.669	77%	0.774	S	S	*	*			trans	63.4	128.4	154.3	0	0	0	0	0	119.6
813	L	33.5	Very low	32.1	Very low	159 Å²	159	141.2 Å²	141.2	83%	0.832	78%	0.781	S	S	*	*				64.2	131.7	56.7	-60.2	172.3	0	0	0	112.6
814	Q	32.7	Very low	32	Very low	178 Å²	178	141.9 Å²	141.9	83%	0.832	78%	0.777	S	S	*	*			cis	-159.5	177.8	40.7	-162.5	159.1	24.8	0	0	114.7
815	N	33	Very low	31.8	Very low	136 Å²	136	145.2 Å²	145.2	73%	0.727	78%	0.778	S	S	*	*			trans	-82.5	162.9	-164.4	-49.9	-34.1	0	0	0	118.2
816	A	29.5	Very low	30.9	Very low	104 Å²	104	143.8 Å²	143.8	86%	0.86	78%	0.775	S	S	*	*			trans	-148	164.2	143.5	0	0	0	0	0	110.9
817	F	30.8	Very low	30.8	Very low	200 Å²	200	140.8 Å²	140.8	88%	0.877	77%	0.771	S	S	*	*			trans	-113	158.2	-160	-103.5	-102.6	0	0	0	116.4
818	G	27.4	Very low	30.7	Very low	72 Å²	72	144.4 Å²	144.4	74%	0.742	77%	0.772	S	S	*	*			trans	168.7	99	160.5	0	0	0	0	0	117.9
819	D	34	Very low	30.9	Very low	123 Å²	123	144.3 Å²	144.3	66%	0.658	77%	0.767	S	S	*	*			trans	-10.6	150.5	156	-76.7	37.9	0	0	0	119.8
820	R	32	Very low	30.7	Very low	190 Å²	190	150.8 Å²	150.8	72%	0.717	78%	0.777	S	S	*	*			cis	-172	151.1	16.1	-124.7	173.5	-162.6	-117.4	-9.3	116
821	W	28.9	Very low	30.5	Very low	227 Å²	227	148.3 Å²	148.3	86%	0.86	77%	0.77	S	S	*	*			trans	62.2	145	162.1	-63.9	94.7	0	0	0	121.1
822	G	26.2	Very low	30.5	Very low	70 Å²	70	145.5 Å²	145.5	72%	0.722	76%	0.764	S	S	*	*			trans	-111.5	-138.1	-178.9	0	0	0	0	0	113.8
823	P	45.4	Very low	30.4	Very low	123 Å²	123	148.4 Å²	148.4	80%	0.799	77%	0.773	S	S	*	*			cis	-137.6	-165.8	11.4	34.6	-10.4	0	0	0	116.1
824	Y	27.8	Very low	30	Very low	203 Å²	203	146.9 Å²	146.9	80%	0.796	78%	0.775	S	S	*	*			trans	106.4	119.1	167	-89.6	-109.4	0	0	0	120.7
825	F	26.9	Very low	29.8	Very low	190 Å²	190	143.7 Å²	143.7	83%	0.833	77%	0.772	S	S	*	*			trans	73.6	146.5	144	-100.8	-113.2	0	0	0	125
826	A	29.7	Very low	29.5	Very low	80 Å²	80	142.5 Å²	142.5	66%	0.661	77%	0.774	S	S	*	*			trans	81.3	120.5	154	0	0	0	0	0	122.6
827	E	27.6	Very low	29.5	Very low	167 Å²	167	142.9 Å²	142.9	78%	0.78	77%	0.77	S	S	*	*			trans	39.3	125	136.9	-53.9	-179.5	143.4	0	0	122.2
828	Y	28	Very low	29.4	Very low	202 Å²	202	138 Å²	138	79%	0.792	76%	0.761	S	S	*	*				173.4	162.6	107.4	-105.9	-94.3	0	0	0	113.7
829	D	30.8	Very low	29.4	Very low	126 Å²	126	143.3 Å²	143.3	67%	0.674	77%	0.767	S	S	*	*			trans	54	111.8	156	-66.9	-33.6	0	0	0	126.3
830	W	25.9	Very low	29.4	Very low	231 Å²	231	143 Å²	143	88%	0.875	77%	0.774	S	S	*	*				56	126.7	113.7	-130.9	-21.3	0	0	0	124.5
831	C	28.4	Very low	29.5	Very low	95 Å²	95	141.5 Å²	141.5	64%	0.642	78%	0.78	S	S	*	*			trans	91.9	96.8	133.5	-125.9	0	0	0	0	122.9
832	S	30.5	Very low	29.9	Very low	99 Å²	99	138.1 Å²	138.1	69%	0.692	78%	0.779	S	S	*	*				56.5	142.4	117.2	-52.4	0	0	0	0	124.6
833	T	29.1	Very low	30.8	Very low	142 Å²	142	140.3 Å²	140.3	87%	0.871	77%	0.771	S	S	*	*			trans	81.4	110.7	159.7	63.7	0	0	0	0	120.7
834	C	25.4	Very low	30.5	Very low	127 Å²	127	137.4 Å²	137.4	86%	0.858	76%	0.763	S	S	*	*			trans	-140.5	172.7	133.3	67.1	0	0	0	0	108.4
835	S	27.8	Very low	31.6	Very low	110 Å²	110	133.3 Å²	133.3	77%	0.769	75%	0.747	S	S	*	*			trans	-148.1	158.1	179.7	-67.2	0	0	0	0	111.7
836	S	28.6	Very low	32.2	Very low	111 Å²	111	132.1 Å²	132.1	78%	0.776	74%	0.742	S	S	*	*			trans	73.2	100.5	163.5	-58.1	0	0	0	0	118.7
837	S	28.1	Very low	32.9	Very low	112 Å²	112	136.1 Å²	136.1	78%	0.783	75%	0.751	S	S	*	*				106.3	143.8	120.7	-60	0	0	0	0	120.4
838	S	29.2	Very low	34.1	Very low	97 Å²	97	130.7 Å²	130.7	68%	0.678	74%	0.74	S	S	*	*			trans	75.7	124.6	163.5	-71	0	0	0	0	120.3
839	E	27	Very low	35.2	Very low	184 Å²	184	128.4 Å²	128.4	86%	0.86	74%	0.736	S	S	*	*			trans	68.4	84.8	133.5	-63	165.9	160.6	0	0	118.8
840	S	33.8	Very low	35.8	Very low	117 Å²	117	126.8 Å²	126.8	82%	0.818	73%	0.732	S	S	*	*				-162.6	144	123	41.3	0	0	0	0	111.4
841	D	34.2	Very low	36.7	Very low	158 Å²	158	121.7 Å²	121.7	85%	0.845	72%	0.721	S	S	*	*			trans	-75.4	136.8	177.1	-53	-88.1	0	0	0	111.5
842	N	37.5	Very low	37.4	Very low	156 Å²	156	122.8 Å²	122.8	83%	0.834	73%	0.727	S	S	*	*			trans	-128.5	86.5	159.8	63.4	-12.4	0	0	0	110.8	G844	N842-G844 PolarHBondContact O-N 2.98Å; N842-G844 VanDerWaalsContact O-N 3.09Å
843	E	45	Very low	37.8	Very low	117 Å²	117	127 Å²	127	55%	0.547	74%	0.736	S	S	.	*			trans	-55	112	177.9	-62.8	175.5	117.9	0	0	111.2	Y845	E843-Y845 HydrophobicContact CB-CD2 3.69Å; E843-Y845 HydrophobicContact CB-CE2 3.35Å; E843-Y845 HydrophobicContact CB-CG 4.48Å; E843-Y845 HydrophobicContact CG-CE2 4.16Å; E843-Y845 VanDerWaalsContact O-CD2 3.29Å; E843-Y845 WeakPolarHBondContact O-CD2 3.49Å; E843-Y845 PolarHBondContact O-N 3.17Å; E843-Y845 PolarHBondContact OE1-OH 3.15Å; E843-Y845 WeakPolarHBondContact OE2-CE2 3.48Å; E843-Y845 VanDerWaalsContact OE2-CZ 3.23Å; E843-Y845 PolarHBondContact OE2-OH 3.01Å
844	G	38.4	Very low	38.6	Very low	62 Å²	62	126.5 Å²	126.5	64%	0.639	74%	0.735	S	S	*	*			trans	-73.3	64.8	177	0	0	0	0	0	112.5	N842 F846	N842-G844 PolarHBondContact O-N 2.98Å; N842-G844 VanDerWaalsContact O-N 3.09Å; G844-F846 PolarHBondContact O-N 3.48Å
845	Y	51.4	Low	39	Very low	117 Å²	117	125.2 Å²	125.2	46%	0.459	73%	0.733	S	S	.	*			trans	-61.6	123.1	178.4	-72.2	-75.2	0	0	0	111.7	E843 G848	E843-Y845 HydrophobicContact CB-CD2 3.69Å; E843-Y845 HydrophobicContact CB-CE2 3.35Å; E843-Y845 HydrophobicContact CB-CG 4.48Å; E843-Y845 HydrophobicContact CG-CE2 4.16Å; E843-Y845 VanDerWaalsContact O-CD2 3.29Å; E843-Y845 WeakPolarHBondContact O-CD2 3.49Å; E843-Y845 PolarHBondContact O-N 3.17Å; E843-Y845 PolarHBondContact OE1-OH 3.15Å; E843-Y845 WeakPolarHBondContact OE2-CE2 3.48Å; E843-Y845 VanDerWaalsContact OE2-CZ 3.23Å; E843-Y845 PolarHBondContact OE2-OH 3.01Å; Y845-G848 VanDerWaalsContact CD1-C 3.41Å; Y845-G848 WeakPolarHBondContact CE1-O 3.22Å
846	F	40.2	Very low	39.2	Very low	164 Å²	164	131.9 Å²	131.9	72%	0.719	74%	0.742	S	S	*	*	B	Isolated β-bridge	trans	-107.3	105.1	158	-162.1	-92.9	0	0	0	108.3	G844 G848	G844-F846 PolarHBondContact O-N 3.48Å; F846-G848 PolarHBondContact O-N 2.99Å
847	L	43.9	Very low	39.3	Very low	165 Å²	165	134.9 Å²	134.9	86%	0.864	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	62	32.5	-176.6	-53.2	177.1	0	0	0	115.8
848	G	52.7	Low	39.4	Very low	52 Å²	52	140.9 Å²	140.9	54%	0.536	75%	0.754	S	S	.	*	T	Hydrogen-bonded Turn	trans	94	2.4	159.7	0	0	0	0	0	117.6	Y845 F846	Y845-G848 VanDerWaalsContact CD1-C 3.41Å; Y845-G848 WeakPolarHBondContact CE1-O 3.22Å; F846-G848 PolarHBondContact O-N 2.99Å
849	E	50.5	Low	39.3	Very low	155 Å²	155	147 Å²	147	72%	0.724	76%	0.763	S	S	*	*	B	Isolated β-bridge	trans	-127.4	153.2	166.4	-71.9	-165.6	169.9	0	0	111.9
850	P	44.1	Very low	39.6	Very low	91 Å²	91	144.4 Å²	144.4	59%	0.591	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-79	145.2	-176.1	30.9	-35.7	0	0	0	113.5	P852	P850-P852 WeakPolarHBondContact O-CD 3.42Å
851	I	44.4	Very low	39.6	Very low	125 Å²	125	144.8 Å²	144.8	64%	0.641	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-80.5	121.3	-173.8	-56.3	174.2	0	0	0	111.2
852	P	43.2	Very low	39.6	Very low	117 Å²	117	143.2 Å²	143.2	76%	0.76	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-78.6	138.4	-178	30.5	-34.7	0	0	0	113.5	P850	P850-P852 WeakPolarHBondContact O-CD 3.42Å
853	Q	39.3	Very low	39.6	Very low	188 Å²	188	142.9 Å²	142.9	88%	0.879	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-85.6	139.3	179.1	-61.8	-177.8	5.2	0	0	112.8
854	P	45.4	Very low	39.2	Very low	132 Å²	132	146 Å²	146	86%	0.857	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-80.4	141.1	176.4	31.8	-34.3	0	0	0	113.1
855	A	34.7	Very low	39.2	Very low	99 Å²	99	151.7 Å²	151.7	82%	0.818	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-88.7	156.9	-175.6	0	0	0	0	0	114.6
856	R	31.5	Very low	38.6	Very low	250 Å²	250	153 Å²	153	94%	0.943	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-69.5	135.9	-179.8	-71.3	172.3	160.5	177.3	-7.7	113.3
857	L	30.2	Very low	38.2	Very low	175 Å²	175	153.6 Å²	153.6	92%	0.916	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-86.2	150.2	164.3	-80.4	166.2	0	0	0	112
858	R	30.7	Very low	37.6	Very low	238 Å²	238	155.4 Å²	155.4	90%	0.898	81%	0.806	S	S	*	*			trans	-108.7	158.2	170.7	-77.9	-166.2	-178.7	-158.1	4.4	111.4
859	Y	28	Very low	36.6	Very low	225 Å²	225	163.9 Å²	163.9	88%	0.882	82%	0.824	S	S	*	*			trans	-63.1	150.8	164.5	-78	-102.6	0	0	0	112.2
860	V	31.8	Very low	35.5	Very low	129 Å²	129	161.5 Å²	161.5	78%	0.782	82%	0.824	S	S	*	*			trans	-129.2	135.6	159.7	177.4	0	0	0	0	107.8
861	T	34.7	Very low	34.8	Very low	126 Å²	126	162.4 Å²	162.4	77%	0.773	83%	0.832	S	S	*	*			trans	-99.6	168.2	-178.1	46.8	0	0	0	0	112.5	D863	T861-D863 PolarHBondContact O-N 3.49Å
862	S	34.4	Very low	34.2	Very low	125 Å²	125	168.2 Å²	168.2	87%	0.874	85%	0.848	S	S	*	*	S	Bend	trans	-65.9	95.4	-168	-47.4	0	0	0	0	115.5
863	D	37.4	Very low	33.6	Very low	148 Å²	148	166.2 Å²	166.2	79%	0.791	85%	0.849	S	S	*	*	S	Bend	trans	-153.6	4.8	155.9	-135	1.7	0	0	0	117.2	T861	T861-D863 PolarHBondContact O-N 3.49Å
864	E	35.8	Very low	33.2	Very low	184 Å²	184	165.3 Å²	165.3	86%	0.86	85%	0.849	S	S	*	*	S	Bend	trans	-104.2	4.5	178.6	-74.4	-161.9	123.5	0	0	115.2
865	L	38.1	Very low	33.3	Very low	180 Å²	180	163.4 Å²	163.4	94%	0.942	84%	0.837	S	S	*	*	S	Bend	trans	-89.1	2.3	-175.4	-108.1	167.2	0	0	0	115.2
866	L	39.1	Very low	33.1	Very low	146 Å²	146	167.9 Å²	167.9	76%	0.764	84%	0.838	S	S	*	*	S	Bend	trans	-113.1	-4.1	-167.3	-106	164.8	0	0	0	116.7
867	H	33.1	Very low	33.2	Very low	175 Å²	175	160.8 Å²	160.8	81%	0.81	83%	0.826	S	S	*	*	S	Bend	trans	-138	79.3	-178.7	-76.7	-41	0	0	0	115.1
868	K	30	Very low	33.2	Very low	203 Å²	203	157.3 Å²	157.3	88%	0.883	82%	0.817	S	S	*	*			trans	-179.6	69.4	138.4	-98.4	156.1	-173.3	171.1	0	113.3
869	Y	31.9	Very low	33.4	Very low	231 Å²	231	152.1 Å²	152.1	91%	0.906	81%	0.812	S	S	*	*			trans	-82.3	146.3	141.7	-97.8	-96.2	0	0	0	108.3
870	S	27.3	Very low	33.5	Very low	104 Å²	104	149.4 Å²	149.4	73%	0.727	81%	0.811	S	S	*	*			trans	67.6	126.8	-174	-57.9	0	0	0	0	115.2
871	S	30.2	Very low	33.4	Very low	110 Å²	110	147.4 Å²	147.4	77%	0.769	82%	0.817	S	S	*	*			cis	-155.4	158.4	-4.3	-78.7	0	0	0	0	111.8
872	Y	32.3	Very low	33.3	Very low	248 Å²	248	144.8 Å²	144.8	97%	0.973	82%	0.815	S	S	*	*			trans	-119.7	143.4	159.7	-83.6	-86.7	0	0	0	108.9
873	G	30.4	Very low	33.2	Very low	75 Å²	75	151.2 Å²	151.2	77%	0.773	82%	0.82	S	S	*	*			trans	148.5	122.2	169	0	0	0	0	0	115.8
874	L	31	Very low	32.9	Very low	168 Å²	168	147.2 Å²	147.2	88%	0.88	81%	0.814	S	S	*	*			trans	-115.8	179.7	173.4	-110.3	74	0	0	0	108.5
875	P	47.6	Very low	33.1	Very low	93 Å²	93	147.3 Å²	147.3	60%	0.604	81%	0.814	S	S	*	*			cis	-140.9	-175.6	-26.2	39.4	-21.8	0	0	0	114.8
876	K	30.8	Very low	32.9	Very low	193 Å²	193	144.4 Å²	144.4	84%	0.839	80%	0.799	S	S	*	*			trans	69.7	146	160.2	-68.2	168.5	-175.7	178	0	116.6
877	S	32	Very low	32.7	Very low	101 Å²	101	145.4 Å²	145.4	71%	0.706	80%	0.8	S	S	*	*			cis	-156.1	162.8	0.1	-112.3	0	0	0	0	113
878	S	31.3	Very low	32.5	Very low	102 Å²	102	141.3 Å²	141.3	71%	0.713	79%	0.79	S	S	*	*			trans	65.3	123.9	153	50.6	0	0	0	0	123.6
879	T	33.7	Very low	32.8	Very low	129 Å²	129	142.4 Å²	142.4	79%	0.791	79%	0.789	S	S	*	*			trans	84.7	134.4	137.7	44.7	0	0	0	0	124.4
880	L	31.2	Very low	33	Very low	167 Å²	167	141 Å²	141	87%	0.874	79%	0.788	S	S	*	*			trans	64.6	82.1	155	-90.8	67.4	0	0	0	120.9
881	G	29	Very low	33.3	Very low	87 Å²	87	146.2 Å²	146.2	90%	0.897	79%	0.791	S	S	*	*				72.8	126.7	93	0	0	0	0	0	121.9
882	G	32.2	Very low	33.6	Very low	71 Å²	71	146.9 Å²	146.9	73%	0.732	78%	0.783	S	S	*	*			trans	137	103.7	137.1	0	0	0	0	0	119.6
883	R	33.3	Very low	33.8	Very low	260 Å²	260	143.4 Å²	143.4	98%	0.981	77%	0.772	S	S	*	*			trans	65.4	150.3	153.8	-50.6	173.6	-173.8	-103.6	1.1	117.5
884	G	31.8	Very low	34	Very low	65 Å²	65	144.7 Å²	144.7	67%	0.67	77%	0.77	S	S	*	*			cis	154.9	117.4	-15.8	0	0	0	0	0	115.5
885	Q	38.9	Very low	34.4	Very low	185 Å²	185	145.3 Å²	145.3	86%	0.864	77%	0.765	S	S	*	*			trans	69.2	162.2	157	-60.7	-176.3	-57.1	0	0	120.1
886	L	33.6	Very low	33.7	Very low	119 Å²	119	147.2 Å²	147.2	62%	0.623	77%	0.77	S	S	*	*			cis	-170	139.7	-38.9	-102.5	-178.8	0	0	0	110.1
887	H	34.9	Very low	33.7	Very low	168 Å²	168	143 Å²	143	78%	0.778	76%	0.764	S	S	*	*			trans	63.3	168.7	147.6	-72.2	-11	0	0	0	119.6
888	S	29.8	Very low	33.5	Very low	88 Å²	88	145.6 Å²	145.6	62%	0.615	77%	0.768	S	S	*	*			cis	-159.6	167.5	8.7	-138.6	0	0	0	0	116.2
889	R	34.9	Very low	33.5	Very low	226 Å²	226	148 Å²	148	85%	0.853	77%	0.771	S	S	*	*			trans	76.8	101.2	146.1	-73.3	163.4	-171.6	-147.4	-0.1	124.6
890	K	37.8	Very low	33.4	Very low	202 Å²	202	150.8 Å²	150.8	88%	0.878	80%	0.796	S	S	*	*				30.8	130.9	123.7	-61.1	-179.2	177.4	-178.6	0	122.3
891	R	32.5	Very low	33.5	Very low	213 Å²	213	150 Å²	150	80%	0.804	79%	0.792	S	S	*	*				-175	139.1	107.8	-114.8	-163	176.2	-160.1	13.3	118.1
892	Q	36.6	Very low	33.7	Very low	125 Å²	125	153.3 Å²	153.3	58%	0.584	79%	0.787	S	S	*	*			trans	64.2	124.3	136.8	-83.7	-176.3	-26.5	0	0	127.3
893	K	36.1	Very low	33.8	Very low	175 Å²	175	157.8 Å²	157.8	76%	0.761	79%	0.79	S	S	*	*				71.8	105.6	126.2	-78.8	-173.8	172.3	-172.2	0	124.3
894	S	35	Very low	33.8	Very low	102 Å²	102	151.8 Å²	151.8	71%	0.713	78%	0.779	S	S	*	*				100.7	147	104.7	77.8	0	0	0	0	123.5
895	K	38.8	Very low	33.9	Very low	180 Å²	180	157.3 Å²	157.3	78%	0.783	79%	0.785	S	S	*	*			trans	87.5	114.3	155.2	-69.8	-172.1	176.7	-176.8	0	122
896	N	33.8	Very low	33.6	Very low	133 Å²	133	155.4 Å²	155.4	71%	0.711	78%	0.78	S	S	*	*				81.7	127.2	123.9	-69.7	30.8	0	0	0	123.6
897	C	31.3	Very low	33.6	Very low	105 Å²	105	158 Å²	158	71%	0.709	79%	0.791	S	S	*	*			trans	72.6	151.7	138	-65.4	0	0	0	0	119.4
898	I	27.7	Very low	33.5	Very low	156 Å²	156	157.2 Å²	157.2	80%	0.8	79%	0.792	S	S	*	*			cis	-152.2	168.6	-18.3	-119.6	166.8	0	0	0	109.2
899	I	30	Very low	33.8	Very low	151 Å²	151	163 Å²	163	77%	0.774	81%	0.807	S	S	*	*			trans	-86.8	150	-175.5	-62.1	161.7	0	0	0	112.5
900	S	31.1	Very low	33.7	Very low	188 Å²	188	157.3 Å²	157.3	100%	1.315	80%	0.803	S	S	*	*			trans	-135.1	0	141.4	-66	0	0	0	0	108.2

Retrieved 900 of 900 residues in 116.7 ms (Link to these results)

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